USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=12 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 Single : A 1 LYS N :NH3+ 146:sc= 0.00308 (180deg=-0.527) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.59) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 7 MET CE :methyl -132:sc= -4.16! (180deg=-6.82!) USER MOD Single : A 9 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-5.5!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 15 MET CE :methyl -144:sc= -0.469 (180deg=-2.26!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0141) USER MOD Single : A 24 GLN : amide:sc=-0.000993 X(o=-0.00099,f=-0.00099) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0259) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 31 SER OG : rot -28:sc= -1.25 USER MOD Single : A 36 MET CE :methyl -110:sc= -0.0349 (180deg=-0.519) USER MOD Single : A 39 ASN : amide:sc= -9.05! C(o=-9.1!,f=-15!) USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= 0.505 (180deg=0.0205) USER MOD Single : A 43 THR OG1 : rot -65:sc= -0.303 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 0.0428 (180deg=-0.122) USER MOD Single : A 46 MET CE :methyl -155:sc= -0.336 (180deg=-1.93!) 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 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.814 17.237 -0.512 1.00 0.00 N ATOM 2 CA LYS A 1 -7.078 15.941 -0.503 1.00 0.00 C ATOM 3 C LYS A 1 -7.998 14.835 0.020 1.00 0.00 C ATOM 4 O LYS A 1 -8.932 15.088 0.755 1.00 0.00 O ATOM 5 CB LYS A 1 -5.853 16.057 0.407 1.00 0.00 C ATOM 6 CG LYS A 1 -6.308 16.219 1.858 1.00 0.00 C ATOM 7 CD LYS A 1 -5.093 16.502 2.745 1.00 0.00 C ATOM 8 CE LYS A 1 -5.486 16.343 4.215 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.903 17.462 5.009 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.155 18.012 -0.296 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.234 17.391 -1.451 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.568 17.213 0.204 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.757 15.698 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.228 15.170 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.244 16.911 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.027 17.035 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.815 15.315 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.282 15.817 2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.724 17.511 2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.571 16.340 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.128 15.387 4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.170 17.354 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.867 17.445 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.265 18.368 4.650 1.00 0.00 H new ATOM 10 N ASN A 2 -7.741 13.612 -0.353 1.00 0.00 N ATOM 11 CA ASN A 2 -8.601 12.492 0.122 1.00 0.00 C ATOM 12 C ASN A 2 -10.048 12.739 -0.310 1.00 0.00 C ATOM 13 O ASN A 2 -10.973 12.573 0.459 1.00 0.00 O ATOM 14 CB ASN A 2 -8.533 12.408 1.648 1.00 0.00 C ATOM 15 CG ASN A 2 -7.070 12.317 2.089 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.658 12.992 3.011 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.264 11.502 1.464 1.00 0.00 N ATOM 0 H ASN A 2 -6.973 13.340 -0.966 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.248 11.556 -0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.004 13.285 2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.085 11.536 2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.287 11.432 1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.611 10.936 0.690 1.00 0.00 H new ATOM 18 N GLU A 3 -10.251 13.136 -1.537 1.00 0.00 N ATOM 19 CA GLU A 3 -11.639 13.394 -2.016 1.00 0.00 C ATOM 20 C GLU A 3 -12.442 12.093 -1.973 1.00 0.00 C ATOM 21 O GLU A 3 -13.631 12.095 -1.724 1.00 0.00 O ATOM 22 CB GLU A 3 -11.593 13.918 -3.452 1.00 0.00 C ATOM 23 CG GLU A 3 -13.001 14.323 -3.892 1.00 0.00 C ATOM 24 CD GLU A 3 -12.974 14.756 -5.359 1.00 0.00 C ATOM 25 OE1 GLU A 3 -11.907 14.712 -5.949 1.00 0.00 O ATOM 26 OE2 GLU A 3 -14.020 15.123 -5.868 1.00 0.00 O ATOM 0 H GLU A 3 -9.517 13.293 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.114 14.136 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.920 14.773 -3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.199 13.151 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.689 13.487 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.368 15.138 -3.268 1.00 0.00 H new ATOM 27 N ASP A 4 -11.802 10.981 -2.214 1.00 0.00 N ATOM 28 CA ASP A 4 -12.530 9.682 -2.186 1.00 0.00 C ATOM 29 C ASP A 4 -13.230 9.517 -0.836 1.00 0.00 C ATOM 30 O ASP A 4 -14.265 8.889 -0.734 1.00 0.00 O ATOM 31 CB ASP A 4 -11.537 8.535 -2.389 1.00 0.00 C ATOM 32 CG ASP A 4 -12.305 7.232 -2.617 1.00 0.00 C ATOM 33 OD1 ASP A 4 -13.518 7.292 -2.723 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.666 6.195 -2.683 1.00 0.00 O ATOM 0 H ASP A 4 -10.807 10.917 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.272 9.666 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.893 8.744 -3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.890 8.441 -1.517 1.00 0.00 H new ATOM 35 N GLN A 5 -12.671 10.076 0.202 1.00 0.00 N ATOM 36 CA GLN A 5 -13.303 9.950 1.546 1.00 0.00 C ATOM 37 C GLN A 5 -14.736 10.486 1.488 1.00 0.00 C ATOM 38 O GLN A 5 -15.635 9.945 2.099 1.00 0.00 O ATOM 39 CB GLN A 5 -12.498 10.760 2.564 1.00 0.00 C ATOM 40 CG GLN A 5 -13.008 10.456 3.975 1.00 0.00 C ATOM 41 CD GLN A 5 -12.160 11.215 4.997 1.00 0.00 C ATOM 42 OE1 GLN A 5 -11.156 11.805 4.653 1.00 0.00 O ATOM 43 NE2 GLN A 5 -12.523 11.222 6.251 1.00 0.00 N ATOM 0 H GLN A 5 -11.805 10.614 0.178 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.319 8.902 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.439 10.512 2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.592 11.825 2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -14.054 10.748 4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.958 9.385 4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.366 10.727 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.963 11.723 6.941 1.00 0.00 H new ATOM 44 N GLU A 6 -14.953 11.545 0.757 1.00 0.00 N ATOM 45 CA GLU A 6 -16.327 12.115 0.659 1.00 0.00 C ATOM 46 C GLU A 6 -17.268 11.077 0.045 1.00 0.00 C ATOM 47 O GLU A 6 -18.392 10.912 0.478 1.00 0.00 O ATOM 48 CB GLU A 6 -16.298 13.363 -0.224 1.00 0.00 C ATOM 49 CG GLU A 6 -17.650 14.073 -0.147 1.00 0.00 C ATOM 50 CD GLU A 6 -17.635 15.298 -1.063 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.611 15.538 -1.683 1.00 0.00 O ATOM 52 OE2 GLU A 6 -18.647 15.976 -1.130 1.00 0.00 O ATOM 0 H GLU A 6 -14.239 12.040 0.223 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.682 12.382 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.504 14.034 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.078 13.087 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.448 13.393 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.856 14.376 0.880 1.00 0.00 H new ATOM 53 N MET A 7 -16.821 10.377 -0.961 1.00 0.00 N ATOM 54 CA MET A 7 -17.694 9.351 -1.600 1.00 0.00 C ATOM 55 C MET A 7 -18.056 8.277 -0.573 1.00 0.00 C ATOM 56 O MET A 7 -19.078 7.630 -0.673 1.00 0.00 O ATOM 57 CB MET A 7 -16.949 8.703 -2.769 1.00 0.00 C ATOM 58 CG MET A 7 -16.628 9.763 -3.825 1.00 0.00 C ATOM 59 SD MET A 7 -18.148 10.622 -4.301 1.00 0.00 S ATOM 60 CE MET A 7 -19.011 9.191 -4.994 1.00 0.00 C ATOM 0 H MET A 7 -15.890 10.470 -1.368 1.00 0.00 H new ATOM 0 HA MET A 7 -18.604 9.827 -1.966 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.029 8.239 -2.414 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.557 7.912 -3.207 1.00 0.00 H new ATOM 0 HG2 MET A 7 -15.903 10.476 -3.431 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.173 9.295 -4.698 1.00 0.00 H new ATOM 0 HE1 MET A 7 -19.425 9.452 -5.968 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.311 8.364 -5.107 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.818 8.894 -4.325 1.00 0.00 H new ATOM 61 N CYS A 8 -17.224 8.082 0.413 1.00 0.00 N ATOM 62 CA CYS A 8 -17.520 7.048 1.443 1.00 0.00 C ATOM 63 C CYS A 8 -18.683 7.514 2.319 1.00 0.00 C ATOM 64 O CYS A 8 -19.404 6.716 2.884 1.00 0.00 O ATOM 65 CB CYS A 8 -16.279 6.823 2.307 1.00 0.00 C ATOM 66 SG CYS A 8 -14.969 6.099 1.290 1.00 0.00 S ATOM 0 H CYS A 8 -16.352 8.594 0.549 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.794 6.114 0.953 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.943 7.767 2.735 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.516 6.162 3.140 1.00 0.00 H new ATOM 67 N HIS A 9 -18.877 8.798 2.431 1.00 0.00 N ATOM 68 CA HIS A 9 -20.001 9.306 3.264 1.00 0.00 C ATOM 69 C HIS A 9 -21.282 8.559 2.880 1.00 0.00 C ATOM 70 O HIS A 9 -22.000 8.061 3.725 1.00 0.00 O ATOM 71 CB HIS A 9 -20.175 10.810 3.015 1.00 0.00 C ATOM 72 CG HIS A 9 -21.535 11.254 3.484 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.699 10.862 2.842 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.932 12.054 4.526 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.731 11.420 3.498 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.320 12.157 4.533 1.00 0.00 N ATOM 0 H HIS A 9 -18.307 9.516 1.983 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.790 9.142 4.321 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.400 11.367 3.542 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.058 11.027 1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.269 12.531 5.233 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.767 11.288 3.222 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.899 12.683 5.188 1.00 0.00 H new ATOM 77 N GLU A 10 -21.574 8.481 1.611 1.00 0.00 N ATOM 78 CA GLU A 10 -22.805 7.770 1.169 1.00 0.00 C ATOM 79 C GLU A 10 -22.690 6.280 1.499 1.00 0.00 C ATOM 80 O GLU A 10 -23.641 5.656 1.925 1.00 0.00 O ATOM 81 CB GLU A 10 -22.980 7.945 -0.341 1.00 0.00 C ATOM 82 CG GLU A 10 -23.235 9.421 -0.657 1.00 0.00 C ATOM 83 CD GLU A 10 -23.504 9.583 -2.155 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.346 8.609 -2.874 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.862 10.677 -2.557 1.00 0.00 O ATOM 0 H GLU A 10 -21.011 8.880 0.860 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.667 8.188 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.088 7.599 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.813 7.337 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.087 9.785 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.373 10.021 -0.364 1.00 0.00 H new ATOM 86 N PHE A 11 -21.536 5.698 1.301 1.00 0.00 N ATOM 87 CA PHE A 11 -21.379 4.248 1.605 1.00 0.00 C ATOM 88 C PHE A 11 -21.343 4.049 3.121 1.00 0.00 C ATOM 89 O PHE A 11 -21.535 2.956 3.618 1.00 0.00 O ATOM 90 CB PHE A 11 -20.073 3.725 0.991 1.00 0.00 C ATOM 91 CG PHE A 11 -20.374 2.687 -0.071 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.476 1.831 0.070 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.549 2.579 -1.198 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.751 0.876 -0.915 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.826 1.624 -2.181 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.926 0.772 -2.041 1.00 0.00 C ATOM 0 H PHE A 11 -20.701 6.162 0.944 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.220 3.699 1.182 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.512 4.551 0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.446 3.289 1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.112 1.909 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.698 3.234 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.601 0.218 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.189 1.544 -3.050 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.139 0.035 -2.801 1.00 0.00 H new ATOM 97 N GLN A 12 -21.099 5.096 3.862 1.00 0.00 N ATOM 98 CA GLN A 12 -21.051 4.966 5.344 1.00 0.00 C ATOM 99 C GLN A 12 -22.446 4.616 5.869 1.00 0.00 C ATOM 100 O GLN A 12 -22.594 3.899 6.839 1.00 0.00 O ATOM 101 CB GLN A 12 -20.594 6.289 5.959 1.00 0.00 C ATOM 102 CG GLN A 12 -20.463 6.128 7.474 1.00 0.00 C ATOM 103 CD GLN A 12 -20.059 7.467 8.096 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.768 8.414 7.393 1.00 0.00 O ATOM 105 NE2 GLN A 12 -20.031 7.587 9.396 1.00 0.00 N ATOM 0 H GLN A 12 -20.931 6.036 3.503 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.349 4.178 5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.638 6.591 5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.310 7.077 5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -21.408 5.789 7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.718 5.367 7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -20.275 6.792 9.987 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.765 8.475 9.821 1.00 0.00 H new ATOM 106 N ALA A 13 -23.470 5.115 5.235 1.00 0.00 N ATOM 107 CA ALA A 13 -24.854 4.811 5.696 1.00 0.00 C ATOM 108 C ALA A 13 -25.124 3.314 5.538 1.00 0.00 C ATOM 109 O ALA A 13 -25.956 2.748 6.217 1.00 0.00 O ATOM 110 CB ALA A 13 -25.857 5.603 4.856 1.00 0.00 C ATOM 0 H ALA A 13 -23.409 5.721 4.417 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.959 5.091 6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.869 5.381 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.663 6.670 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.754 5.324 3.807 1.00 0.00 H new ATOM 111 N PHE A 14 -24.425 2.668 4.644 1.00 0.00 N ATOM 112 CA PHE A 14 -24.643 1.207 4.442 1.00 0.00 C ATOM 113 C PHE A 14 -23.684 0.416 5.334 1.00 0.00 C ATOM 114 O PHE A 14 -23.650 -0.798 5.301 1.00 0.00 O ATOM 115 CB PHE A 14 -24.383 0.854 2.976 1.00 0.00 C ATOM 116 CG PHE A 14 -25.421 1.522 2.107 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.674 0.925 1.928 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.129 2.741 1.481 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.636 1.546 1.123 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.092 3.361 0.675 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.346 2.764 0.496 1.00 0.00 C ATOM 0 H PHE A 14 -23.714 3.088 4.046 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.671 0.954 4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.385 1.179 2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.419 -0.227 2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.899 -0.015 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.162 3.202 1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.603 1.085 0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.867 4.300 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.089 3.243 -0.125 1.00 0.00 H new ATOM 122 N MET A 15 -22.904 1.092 6.134 1.00 0.00 N ATOM 123 CA MET A 15 -21.950 0.374 7.025 1.00 0.00 C ATOM 124 C MET A 15 -22.698 -0.144 8.256 1.00 0.00 C ATOM 125 O MET A 15 -23.439 0.578 8.893 1.00 0.00 O ATOM 126 CB MET A 15 -20.843 1.334 7.465 1.00 0.00 C ATOM 127 CG MET A 15 -19.616 0.533 7.902 1.00 0.00 C ATOM 128 SD MET A 15 -19.974 -0.315 9.461 1.00 0.00 S ATOM 129 CE MET A 15 -20.269 1.163 10.462 1.00 0.00 C ATOM 0 H MET A 15 -22.887 2.109 6.208 1.00 0.00 H new ATOM 0 HA MET A 15 -21.509 -0.465 6.488 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.581 2.003 6.646 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.194 1.959 8.286 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.349 -0.193 7.134 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.760 1.196 8.025 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.891 1.000 11.471 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.755 2.014 10.015 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.339 1.366 10.504 1.00 0.00 H new ATOM 130 N LYS A 16 -22.511 -1.390 8.597 1.00 0.00 N ATOM 131 CA LYS A 16 -23.214 -1.950 9.786 1.00 0.00 C ATOM 132 C LYS A 16 -22.259 -2.854 10.568 1.00 0.00 C ATOM 133 O LYS A 16 -21.398 -3.499 10.004 1.00 0.00 O ATOM 134 CB LYS A 16 -24.422 -2.767 9.322 1.00 0.00 C ATOM 135 CG LYS A 16 -25.407 -1.851 8.596 1.00 0.00 C ATOM 136 CD LYS A 16 -26.689 -2.624 8.285 1.00 0.00 C ATOM 137 CE LYS A 16 -27.631 -1.738 7.467 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.034 -1.952 7.922 1.00 0.00 N ATOM 0 H LYS A 16 -21.902 -2.044 8.104 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.548 -1.135 10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.099 -3.570 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.908 -3.236 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.635 -0.982 9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -24.961 -1.479 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.454 -3.532 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.174 -2.932 9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.355 -0.690 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.541 -1.975 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -29.675 -1.350 7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.294 -2.950 7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.114 -1.705 8.929 1.00 0.00 H new ATOM 139 N ASN A 17 -22.408 -2.907 11.863 1.00 0.00 N ATOM 140 CA ASN A 17 -21.510 -3.771 12.680 1.00 0.00 C ATOM 141 C ASN A 17 -20.055 -3.516 12.280 1.00 0.00 C ATOM 142 O ASN A 17 -19.202 -4.368 12.427 1.00 0.00 O ATOM 143 CB ASN A 17 -21.855 -5.241 12.432 1.00 0.00 C ATOM 144 CG ASN A 17 -23.337 -5.472 12.731 1.00 0.00 C ATOM 145 OD1 ASN A 17 -24.011 -6.185 12.013 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.879 -4.895 13.770 1.00 0.00 N ATOM 0 H ASN A 17 -23.112 -2.390 12.390 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.643 -3.538 13.736 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.635 -5.508 11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.241 -5.882 13.064 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -24.867 -5.043 13.978 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.315 -4.297 14.373 1.00 0.00 H new ATOM 147 N GLY A 18 -19.765 -2.349 11.772 1.00 0.00 N ATOM 148 CA GLY A 18 -18.366 -2.044 11.361 1.00 0.00 C ATOM 149 C GLY A 18 -18.088 -2.692 10.004 1.00 0.00 C ATOM 150 O GLY A 18 -16.953 -2.896 9.621 1.00 0.00 O ATOM 0 H GLY A 18 -20.436 -1.595 11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.219 -0.966 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.665 -2.419 12.107 1.00 0.00 H new ATOM 151 N LYS A 19 -19.120 -3.016 9.274 1.00 0.00 N ATOM 152 CA LYS A 19 -18.924 -3.651 7.943 1.00 0.00 C ATOM 153 C LYS A 19 -19.639 -2.824 6.875 1.00 0.00 C ATOM 154 O LYS A 19 -20.788 -2.460 7.028 1.00 0.00 O ATOM 155 CB LYS A 19 -19.510 -5.062 7.960 1.00 0.00 C ATOM 156 CG LYS A 19 -18.979 -5.850 6.760 1.00 0.00 C ATOM 157 CD LYS A 19 -20.150 -6.454 5.981 1.00 0.00 C ATOM 158 CE LYS A 19 -19.650 -7.636 5.149 1.00 0.00 C ATOM 159 NZ LYS A 19 -18.781 -7.135 4.049 1.00 0.00 N ATOM 0 H LYS A 19 -20.092 -2.867 9.544 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.858 -3.699 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.242 -5.567 8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.598 -5.016 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.397 -5.195 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.309 -6.640 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.928 -6.783 6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.596 -5.701 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.093 -8.329 5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.495 -8.188 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.523 -7.925 3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.294 -6.414 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.918 -6.716 4.451 1.00 0.00 H new ATOM 160 N LEU A 20 -18.975 -2.530 5.792 1.00 0.00 N ATOM 161 CA LEU A 20 -19.628 -1.735 4.718 1.00 0.00 C ATOM 162 C LEU A 20 -20.454 -2.668 3.834 1.00 0.00 C ATOM 163 O LEU A 20 -19.926 -3.536 3.167 1.00 0.00 O ATOM 164 CB LEU A 20 -18.561 -1.042 3.868 1.00 0.00 C ATOM 165 CG LEU A 20 -19.225 -0.421 2.637 1.00 0.00 C ATOM 166 CD1 LEU A 20 -20.057 0.790 3.062 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.151 0.022 1.643 1.00 0.00 C ATOM 0 H LEU A 20 -18.011 -2.806 5.605 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.276 -0.982 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.057 -0.272 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.799 -1.760 3.562 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.873 -1.160 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.530 1.232 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.825 0.474 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.410 1.528 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.626 0.464 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.501 0.759 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.559 -0.841 1.338 1.00 0.00 H new ATOM 168 N PHE A 21 -21.748 -2.500 3.820 1.00 0.00 N ATOM 169 CA PHE A 21 -22.600 -3.379 2.975 1.00 0.00 C ATOM 170 C PHE A 21 -22.884 -2.684 1.643 1.00 0.00 C ATOM 171 O PHE A 21 -23.396 -1.584 1.602 1.00 0.00 O ATOM 172 CB PHE A 21 -23.918 -3.661 3.698 1.00 0.00 C ATOM 173 CG PHE A 21 -23.664 -4.608 4.847 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.220 -4.111 6.078 1.00 0.00 C ATOM 175 CD2 PHE A 21 -23.871 -5.982 4.681 1.00 0.00 C ATOM 176 CE1 PHE A 21 -22.983 -4.988 7.143 1.00 0.00 C ATOM 177 CE2 PHE A 21 -23.633 -6.860 5.745 1.00 0.00 C ATOM 178 CZ PHE A 21 -23.190 -6.363 6.976 1.00 0.00 C ATOM 0 H PHE A 21 -22.250 -1.793 4.357 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.081 -4.320 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.350 -2.731 4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.640 -4.095 3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.060 -3.051 6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -24.215 -6.365 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -22.641 -4.605 8.093 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -23.791 -7.921 5.616 1.00 0.00 H new ATOM 0 HZ PHE A 21 -23.008 -7.040 7.797 1.00 0.00 H new ATOM 179 N CYS A 22 -22.551 -3.318 0.552 1.00 0.00 N ATOM 180 CA CYS A 22 -22.796 -2.694 -0.780 1.00 0.00 C ATOM 181 C CYS A 22 -23.596 -3.653 -1.668 1.00 0.00 C ATOM 182 O CYS A 22 -23.099 -4.151 -2.658 1.00 0.00 O ATOM 183 CB CYS A 22 -21.455 -2.384 -1.446 1.00 0.00 C ATOM 184 SG CYS A 22 -20.338 -1.643 -0.229 1.00 0.00 S ATOM 0 H CYS A 22 -22.120 -4.242 0.525 1.00 0.00 H new ATOM 0 HA CYS A 22 -23.364 -1.773 -0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.017 -3.297 -1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.601 -1.703 -2.284 1.00 0.00 H new ATOM 185 N PRO A 23 -24.864 -3.911 -1.306 1.00 0.00 N ATOM 186 CA PRO A 23 -25.738 -4.800 -2.064 1.00 0.00 C ATOM 187 C PRO A 23 -26.516 -4.045 -3.146 1.00 0.00 C ATOM 188 O PRO A 23 -26.677 -4.516 -4.255 1.00 0.00 O ATOM 189 CB PRO A 23 -26.701 -5.321 -1.003 1.00 0.00 C ATOM 190 CG PRO A 23 -26.733 -4.271 0.069 1.00 0.00 C ATOM 191 CD PRO A 23 -25.544 -3.359 -0.129 1.00 0.00 C ATOM 0 HA PRO A 23 -25.184 -5.580 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.694 -5.483 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.363 -6.277 -0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -27.661 -3.702 0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.698 -4.733 1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -25.856 -2.328 -0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.892 -3.358 0.745 1.00 0.00 H new ATOM 192 N GLN A 24 -27.002 -2.876 -2.827 1.00 0.00 N ATOM 193 CA GLN A 24 -27.775 -2.086 -3.828 1.00 0.00 C ATOM 194 C GLN A 24 -27.080 -2.152 -5.188 1.00 0.00 C ATOM 195 O GLN A 24 -27.674 -2.515 -6.184 1.00 0.00 O ATOM 196 CB GLN A 24 -27.859 -0.628 -3.368 1.00 0.00 C ATOM 197 CG GLN A 24 -28.924 0.106 -4.183 1.00 0.00 C ATOM 198 CD GLN A 24 -29.016 1.558 -3.712 1.00 0.00 C ATOM 199 OE1 GLN A 24 -28.045 2.286 -3.757 1.00 0.00 O ATOM 200 NE2 GLN A 24 -30.153 2.014 -3.259 1.00 0.00 N ATOM 0 H GLN A 24 -26.897 -2.433 -1.914 1.00 0.00 H new ATOM 0 HA GLN A 24 -28.779 -2.501 -3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -28.104 -0.584 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.892 -0.141 -3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -28.673 0.072 -5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -29.889 -0.387 -4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -30.969 1.403 -3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -30.225 2.981 -2.943 1.00 0.00 H new ATOM 201 N ASP A 25 -25.827 -1.802 -5.235 1.00 0.00 N ATOM 202 CA ASP A 25 -25.090 -1.841 -6.530 1.00 0.00 C ATOM 203 C ASP A 25 -25.762 -0.897 -7.529 1.00 0.00 C ATOM 204 O ASP A 25 -25.857 -1.188 -8.705 1.00 0.00 O ATOM 205 CB ASP A 25 -25.107 -3.267 -7.085 1.00 0.00 C ATOM 206 CG ASP A 25 -24.277 -4.177 -6.177 1.00 0.00 C ATOM 207 OD1 ASP A 25 -23.554 -3.652 -5.346 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.378 -5.383 -6.328 1.00 0.00 O ATOM 0 H ASP A 25 -25.279 -1.490 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 25 -24.059 -1.526 -6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.132 -3.633 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.703 -3.280 -8.097 1.00 0.00 H new ATOM 209 N LYS A 26 -26.228 0.234 -7.073 1.00 0.00 N ATOM 210 CA LYS A 26 -26.892 1.194 -7.999 1.00 0.00 C ATOM 211 C LYS A 26 -26.080 2.489 -8.058 1.00 0.00 C ATOM 212 O LYS A 26 -25.253 2.754 -7.208 1.00 0.00 O ATOM 213 CB LYS A 26 -28.303 1.499 -7.492 1.00 0.00 C ATOM 214 CG LYS A 26 -29.168 0.242 -7.605 1.00 0.00 C ATOM 215 CD LYS A 26 -30.592 0.561 -7.144 1.00 0.00 C ATOM 216 CE LYS A 26 -31.431 -0.718 -7.156 1.00 0.00 C ATOM 217 NZ LYS A 26 -32.799 -0.418 -6.647 1.00 0.00 N ATOM 0 H LYS A 26 -26.177 0.534 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 26 -26.951 0.756 -8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -28.264 1.835 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -28.743 2.310 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -29.179 -0.114 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.747 -0.558 -6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -30.574 0.987 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.039 1.308 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -31.488 -1.119 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -30.960 -1.481 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.371 -1.287 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.736 -0.054 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -33.247 0.296 -7.256 1.00 0.00 H new ATOM 218 N LYS A 27 -26.308 3.300 -9.056 1.00 0.00 N ATOM 219 CA LYS A 27 -25.547 4.575 -9.166 1.00 0.00 C ATOM 220 C LYS A 27 -24.068 4.265 -9.408 1.00 0.00 C ATOM 221 O LYS A 27 -23.249 4.376 -8.516 1.00 0.00 O ATOM 222 CB LYS A 27 -25.692 5.373 -7.868 1.00 0.00 C ATOM 223 CG LYS A 27 -27.146 5.316 -7.394 1.00 0.00 C ATOM 224 CD LYS A 27 -27.745 6.724 -7.418 1.00 0.00 C ATOM 225 CE LYS A 27 -28.176 7.071 -8.845 1.00 0.00 C ATOM 226 NZ LYS A 27 -29.498 6.447 -9.130 1.00 0.00 N ATOM 0 H LYS A 27 -26.988 3.134 -9.798 1.00 0.00 H new ATOM 0 HA LYS A 27 -25.940 5.160 -9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -25.032 4.965 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.391 6.408 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.724 4.652 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -27.195 4.905 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -28.601 6.778 -6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.013 7.448 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.239 8.153 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.432 6.715 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -29.862 6.804 -10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -29.390 5.414 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -30.166 6.687 -8.370 1.00 0.00 H new ATOM 227 N PRO A 28 -23.725 3.867 -10.641 1.00 0.00 N ATOM 228 CA PRO A 28 -22.343 3.536 -11.010 1.00 0.00 C ATOM 229 C PRO A 28 -21.448 4.777 -11.048 1.00 0.00 C ATOM 230 O PRO A 28 -21.752 5.755 -11.704 1.00 0.00 O ATOM 231 CB PRO A 28 -22.478 2.947 -12.414 1.00 0.00 C ATOM 232 CG PRO A 28 -23.738 3.539 -12.949 1.00 0.00 C ATOM 233 CD PRO A 28 -24.655 3.709 -11.772 1.00 0.00 C ATOM 0 HA PRO A 28 -21.881 2.860 -10.291 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.622 3.206 -13.037 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.532 1.859 -12.384 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.543 4.497 -13.432 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.185 2.888 -13.700 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.301 4.580 -11.887 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.306 2.845 -11.640 1.00 0.00 H new ATOM 234 N ILE A 29 -20.347 4.748 -10.347 1.00 0.00 N ATOM 235 CA ILE A 29 -19.433 5.924 -10.341 1.00 0.00 C ATOM 236 C ILE A 29 -18.059 5.502 -10.862 1.00 0.00 C ATOM 237 O ILE A 29 -17.623 4.386 -10.655 1.00 0.00 O ATOM 238 CB ILE A 29 -19.298 6.455 -8.909 1.00 0.00 C ATOM 239 CG1 ILE A 29 -18.231 7.565 -8.868 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.917 5.302 -7.968 1.00 0.00 C ATOM 241 CD1 ILE A 29 -16.850 6.991 -8.521 1.00 0.00 C ATOM 0 H ILE A 29 -20.041 3.959 -9.778 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.839 6.707 -10.982 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.249 6.874 -8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.187 8.068 -9.834 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.512 8.317 -8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.821 5.680 -6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.692 4.536 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.968 4.871 -8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -16.116 7.797 -8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.891 6.511 -7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.561 6.258 -9.274 1.00 0.00 H new ATOM 242 N GLN A 30 -17.366 6.385 -11.527 1.00 0.00 N ATOM 243 CA GLN A 30 -16.016 6.029 -12.046 1.00 0.00 C ATOM 244 C GLN A 30 -15.009 6.135 -10.901 1.00 0.00 C ATOM 245 O GLN A 30 -14.797 7.193 -10.343 1.00 0.00 O ATOM 246 CB GLN A 30 -15.622 6.989 -13.170 1.00 0.00 C ATOM 247 CG GLN A 30 -16.472 6.698 -14.410 1.00 0.00 C ATOM 248 CD GLN A 30 -15.969 7.542 -15.582 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.229 8.486 -15.393 1.00 0.00 O ATOM 250 NE2 GLN A 30 -16.342 7.238 -16.796 1.00 0.00 N ATOM 0 H GLN A 30 -17.675 7.335 -11.733 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.027 5.013 -12.440 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.768 8.021 -12.850 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.564 6.875 -13.406 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.418 5.639 -14.661 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.519 6.924 -14.208 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.964 6.445 -16.955 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.012 7.793 -17.585 1.00 0.00 H new ATOM 251 N SER A 31 -14.405 5.042 -10.531 1.00 0.00 N ATOM 252 CA SER A 31 -13.432 5.073 -9.405 1.00 0.00 C ATOM 253 C SER A 31 -12.055 5.518 -9.896 1.00 0.00 C ATOM 254 O SER A 31 -11.874 5.894 -11.038 1.00 0.00 O ATOM 255 CB SER A 31 -13.316 3.676 -8.801 1.00 0.00 C ATOM 256 OG SER A 31 -12.896 2.757 -9.800 1.00 0.00 O ATOM 0 H SER A 31 -14.543 4.127 -10.960 1.00 0.00 H new ATOM 0 HA SER A 31 -13.787 5.781 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.603 3.683 -7.977 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.276 3.366 -8.389 1.00 0.00 H new ATOM 0 HG SER A 31 -13.191 3.072 -10.680 1.00 0.00 H new ATOM 257 N LEU A 32 -11.081 5.474 -9.028 1.00 0.00 N ATOM 258 CA LEU A 32 -9.703 5.887 -9.412 1.00 0.00 C ATOM 259 C LEU A 32 -8.762 4.690 -9.253 1.00 0.00 C ATOM 260 O LEU A 32 -7.682 4.658 -9.809 1.00 0.00 O ATOM 261 CB LEU A 32 -9.234 7.021 -8.494 1.00 0.00 C ATOM 262 CG LEU A 32 -10.277 8.144 -8.473 1.00 0.00 C ATOM 263 CD1 LEU A 32 -11.496 7.701 -7.661 1.00 0.00 C ATOM 264 CD2 LEU A 32 -9.668 9.388 -7.824 1.00 0.00 C ATOM 0 H LEU A 32 -11.183 5.167 -8.061 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.698 6.231 -10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.076 6.641 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.277 7.409 -8.842 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.583 8.371 -9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.235 8.502 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.932 6.812 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.190 7.474 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.407 10.189 -7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.364 9.154 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.798 9.709 -8.398 1.00 0.00 H new ATOM 265 N ASP A 33 -9.166 3.706 -8.495 1.00 0.00 N ATOM 266 CA ASP A 33 -8.302 2.510 -8.294 1.00 0.00 C ATOM 267 C ASP A 33 -8.306 1.653 -9.563 1.00 0.00 C ATOM 268 O ASP A 33 -7.648 0.635 -9.637 1.00 0.00 O ATOM 269 CB ASP A 33 -8.840 1.687 -7.123 1.00 0.00 C ATOM 270 CG ASP A 33 -8.557 2.423 -5.812 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.970 3.491 -5.870 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.934 1.907 -4.772 1.00 0.00 O ATOM 0 H ASP A 33 -10.060 3.680 -8.005 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.283 2.831 -8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.912 1.527 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.370 0.703 -7.109 1.00 0.00 H new ATOM 273 N GLY A 34 -9.047 2.053 -10.560 1.00 0.00 N ATOM 274 CA GLY A 34 -9.095 1.257 -11.817 1.00 0.00 C ATOM 275 C GLY A 34 -10.399 0.458 -11.859 1.00 0.00 C ATOM 276 O GLY A 34 -10.589 -0.394 -12.705 1.00 0.00 O ATOM 0 H GLY A 34 -9.621 2.896 -10.558 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.031 1.917 -12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.240 0.583 -11.867 1.00 0.00 H new ATOM 277 N ILE A 35 -11.298 0.726 -10.953 1.00 0.00 N ATOM 278 CA ILE A 35 -12.590 -0.015 -10.942 1.00 0.00 C ATOM 279 C ILE A 35 -13.665 0.836 -11.619 1.00 0.00 C ATOM 280 O ILE A 35 -13.418 1.955 -12.024 1.00 0.00 O ATOM 281 CB ILE A 35 -12.999 -0.305 -9.495 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.772 -0.751 -8.696 1.00 0.00 C ATOM 283 CG2 ILE A 35 -14.050 -1.418 -9.475 1.00 0.00 C ATOM 284 CD1 ILE A 35 -12.128 -0.818 -7.208 1.00 0.00 C ATOM 0 H ILE A 35 -11.194 1.427 -10.219 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.478 -0.956 -11.480 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.415 0.598 -9.049 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.433 -1.727 -9.044 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.949 -0.053 -8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.341 -1.625 -8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.925 -1.102 -10.043 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.633 -2.320 -9.922 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.254 -1.136 -6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.446 0.167 -6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.937 -1.533 -7.059 1.00 0.00 H new ATOM 285 N MET A 36 -14.854 0.318 -11.753 1.00 0.00 N ATOM 286 CA MET A 36 -15.935 1.103 -12.410 1.00 0.00 C ATOM 287 C MET A 36 -16.928 1.602 -11.356 1.00 0.00 C ATOM 288 O MET A 36 -17.919 2.227 -11.673 1.00 0.00 O ATOM 289 CB MET A 36 -16.667 0.214 -13.417 1.00 0.00 C ATOM 290 CG MET A 36 -15.754 -0.058 -14.613 1.00 0.00 C ATOM 291 SD MET A 36 -16.640 -1.060 -15.832 1.00 0.00 S ATOM 292 CE MET A 36 -17.669 0.265 -16.509 1.00 0.00 C ATOM 0 H MET A 36 -15.123 -0.613 -11.436 1.00 0.00 H new ATOM 0 HA MET A 36 -15.497 1.958 -12.925 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.957 -0.725 -12.946 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.584 0.701 -13.749 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.435 0.883 -15.062 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.853 -0.577 -14.286 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.706 0.108 -16.212 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.323 1.226 -16.127 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.599 0.260 -17.597 1.00 0.00 H new ATOM 293 N PHE A 37 -16.671 1.331 -10.103 1.00 0.00 N ATOM 294 CA PHE A 37 -17.607 1.792 -9.036 1.00 0.00 C ATOM 295 C PHE A 37 -17.299 1.050 -7.732 1.00 0.00 C ATOM 296 O PHE A 37 -17.073 1.652 -6.702 1.00 0.00 O ATOM 297 CB PHE A 37 -19.050 1.508 -9.474 1.00 0.00 C ATOM 298 CG PHE A 37 -19.968 1.507 -8.272 1.00 0.00 C ATOM 299 CD1 PHE A 37 -19.733 2.389 -7.212 1.00 0.00 C ATOM 300 CD2 PHE A 37 -21.051 0.620 -8.220 1.00 0.00 C ATOM 301 CE1 PHE A 37 -20.581 2.385 -6.098 1.00 0.00 C ATOM 302 CE2 PHE A 37 -21.898 0.616 -7.105 1.00 0.00 C ATOM 303 CZ PHE A 37 -21.663 1.499 -6.045 1.00 0.00 C ATOM 0 H PHE A 37 -15.857 0.812 -9.774 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.484 2.863 -8.873 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.376 2.263 -10.190 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.101 0.545 -9.981 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -18.898 3.073 -7.253 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -21.232 -0.060 -9.039 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -20.400 3.066 -5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -22.732 -0.068 -7.063 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.317 1.497 -5.186 1.00 0.00 H new ATOM 304 N ILE A 38 -17.300 -0.252 -7.775 1.00 0.00 N ATOM 305 CA ILE A 38 -17.019 -1.054 -6.548 1.00 0.00 C ATOM 306 C ILE A 38 -15.895 -0.400 -5.740 1.00 0.00 C ATOM 307 O ILE A 38 -15.823 -0.538 -4.535 1.00 0.00 O ATOM 308 CB ILE A 38 -16.591 -2.465 -6.953 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.726 -3.145 -7.720 1.00 0.00 C ATOM 310 CG2 ILE A 38 -16.262 -3.279 -5.700 1.00 0.00 C ATOM 311 CD1 ILE A 38 -17.294 -4.556 -8.124 1.00 0.00 C ATOM 0 H ILE A 38 -17.485 -0.802 -8.614 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.921 -1.100 -5.937 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.708 -2.406 -7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.622 -3.191 -7.101 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.980 -2.563 -8.606 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.957 -4.285 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.451 -2.796 -5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -17.144 -3.337 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -18.102 -5.041 -8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.410 -4.498 -8.759 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.061 -5.135 -7.230 1.00 0.00 H new ATOM 312 N ASN A 39 -15.013 0.308 -6.391 1.00 0.00 N ATOM 313 CA ASN A 39 -13.894 0.962 -5.656 1.00 0.00 C ATOM 314 C ASN A 39 -14.421 1.624 -4.383 1.00 0.00 C ATOM 315 O ASN A 39 -13.941 1.365 -3.303 1.00 0.00 O ATOM 316 CB ASN A 39 -13.245 2.020 -6.544 1.00 0.00 C ATOM 317 CG ASN A 39 -11.912 2.454 -5.931 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.152 1.632 -5.456 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.591 3.719 -5.920 1.00 0.00 N ATOM 0 H ASN A 39 -15.019 0.462 -7.399 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.156 0.205 -5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.084 1.620 -7.545 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.907 2.880 -6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.704 4.017 -5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.227 4.410 -6.318 1.00 0.00 H new ATOM 320 N LYS A 40 -15.398 2.481 -4.493 1.00 0.00 N ATOM 321 CA LYS A 40 -15.926 3.148 -3.269 1.00 0.00 C ATOM 322 C LYS A 40 -16.134 2.101 -2.178 1.00 0.00 C ATOM 323 O LYS A 40 -15.674 2.248 -1.066 1.00 0.00 O ATOM 324 CB LYS A 40 -17.258 3.834 -3.583 1.00 0.00 C ATOM 325 CG LYS A 40 -17.025 4.984 -4.565 1.00 0.00 C ATOM 326 CD LYS A 40 -18.357 5.677 -4.862 1.00 0.00 C ATOM 327 CE LYS A 40 -19.006 6.123 -3.551 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.129 5.201 -3.213 1.00 0.00 N ATOM 0 H LYS A 40 -15.850 2.747 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.212 3.898 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.957 3.115 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.709 4.212 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.317 5.698 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.586 4.605 -5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.194 6.538 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.021 4.997 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.268 6.123 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.375 7.144 -3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.886 5.735 -2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.500 4.771 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.785 4.453 -2.578 1.00 0.00 H new ATOM 329 N CYS A 41 -16.816 1.042 -2.495 1.00 0.00 N ATOM 330 CA CYS A 41 -17.049 -0.027 -1.487 1.00 0.00 C ATOM 331 C CYS A 41 -15.719 -0.707 -1.170 1.00 0.00 C ATOM 332 O CYS A 41 -15.346 -0.879 -0.026 1.00 0.00 O ATOM 333 CB CYS A 41 -18.010 -1.058 -2.075 1.00 0.00 C ATOM 334 SG CYS A 41 -18.495 -2.245 -0.797 1.00 0.00 S ATOM 0 H CYS A 41 -17.225 0.868 -3.413 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.472 0.400 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.893 -0.559 -2.474 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.535 -1.579 -2.906 1.00 0.00 H new ATOM 335 N ALA A 42 -15.012 -1.101 -2.187 1.00 0.00 N ATOM 336 CA ALA A 42 -13.703 -1.785 -1.984 1.00 0.00 C ATOM 337 C ALA A 42 -12.714 -0.859 -1.265 1.00 0.00 C ATOM 338 O ALA A 42 -11.787 -1.316 -0.625 1.00 0.00 O ATOM 339 CB ALA A 42 -13.124 -2.175 -3.344 1.00 0.00 C ATOM 0 H ALA A 42 -15.285 -0.978 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.863 -2.672 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.166 -2.676 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.813 -2.848 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.979 -1.279 -3.948 1.00 0.00 H new ATOM 340 N THR A 43 -12.885 0.432 -1.367 1.00 0.00 N ATOM 341 CA THR A 43 -11.930 1.357 -0.691 1.00 0.00 C ATOM 342 C THR A 43 -12.568 1.922 0.578 1.00 0.00 C ATOM 343 O THR A 43 -11.933 2.028 1.609 1.00 0.00 O ATOM 344 CB THR A 43 -11.576 2.507 -1.638 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.768 3.046 -2.190 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.677 1.990 -2.763 1.00 0.00 C ATOM 0 H THR A 43 -13.639 0.883 -1.885 1.00 0.00 H new ATOM 0 HA THR A 43 -11.025 0.809 -0.427 1.00 0.00 H new ATOM 0 HB THR A 43 -11.047 3.283 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.203 2.370 -2.751 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.427 2.811 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.762 1.578 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.201 1.212 -3.319 1.00 0.00 H new ATOM 347 N CYS A 44 -13.814 2.294 0.511 1.00 0.00 N ATOM 348 CA CYS A 44 -14.486 2.859 1.712 1.00 0.00 C ATOM 349 C CYS A 44 -14.482 1.827 2.840 1.00 0.00 C ATOM 350 O CYS A 44 -14.521 2.172 4.003 1.00 0.00 O ATOM 351 CB CYS A 44 -15.925 3.235 1.362 1.00 0.00 C ATOM 352 SG CYS A 44 -15.907 4.651 0.237 1.00 0.00 S ATOM 0 H CYS A 44 -14.397 2.231 -0.324 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.949 3.749 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.432 2.390 0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.481 3.480 2.267 1.00 0.00 H new ATOM 353 N LYS A 45 -14.430 0.566 2.511 1.00 0.00 N ATOM 354 CA LYS A 45 -14.417 -0.469 3.582 1.00 0.00 C ATOM 355 C LYS A 45 -13.274 -0.164 4.550 1.00 0.00 C ATOM 356 O LYS A 45 -13.451 -0.146 5.752 1.00 0.00 O ATOM 357 CB LYS A 45 -14.215 -1.852 2.963 1.00 0.00 C ATOM 358 CG LYS A 45 -14.513 -2.928 4.009 1.00 0.00 C ATOM 359 CD LYS A 45 -14.294 -4.312 3.394 1.00 0.00 C ATOM 360 CE LYS A 45 -14.587 -5.387 4.441 1.00 0.00 C ATOM 361 NZ LYS A 45 -13.486 -5.419 5.444 1.00 0.00 N ATOM 0 H LYS A 45 -14.396 0.210 1.556 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.367 -0.458 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.871 -1.976 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.192 -1.954 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.865 -2.797 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.540 -2.833 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.944 -4.445 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.268 -4.406 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.536 -5.179 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.684 -6.361 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.547 -6.297 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.569 -5.382 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.572 -4.601 6.080 1.00 0.00 H new ATOM 362 N MET A 46 -12.102 0.090 4.035 1.00 0.00 N ATOM 363 CA MET A 46 -10.953 0.409 4.924 1.00 0.00 C ATOM 364 C MET A 46 -11.116 1.837 5.446 1.00 0.00 C ATOM 365 O MET A 46 -10.599 2.195 6.486 1.00 0.00 O ATOM 366 CB MET A 46 -9.647 0.297 4.136 1.00 0.00 C ATOM 367 CG MET A 46 -9.485 -1.133 3.616 1.00 0.00 C ATOM 368 SD MET A 46 -7.886 -1.294 2.783 1.00 0.00 S ATOM 369 CE MET A 46 -8.140 0.011 1.554 1.00 0.00 C ATOM 0 H MET A 46 -11.892 0.090 3.037 1.00 0.00 H new ATOM 0 HA MET A 46 -10.926 -0.291 5.759 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.651 1.000 3.303 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.802 0.562 4.772 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.550 -1.841 4.442 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.293 -1.374 2.925 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.517 -0.185 0.681 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.188 0.030 1.255 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.868 0.975 1.985 1.00 0.00 H new ATOM 370 N ILE A 47 -11.839 2.655 4.728 1.00 0.00 N ATOM 371 CA ILE A 47 -12.047 4.061 5.176 1.00 0.00 C ATOM 372 C ILE A 47 -13.107 4.089 6.278 1.00 0.00 C ATOM 373 O ILE A 47 -13.049 4.893 7.188 1.00 0.00 O ATOM 374 CB ILE A 47 -12.519 4.906 3.990 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.493 4.819 2.859 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.671 6.366 4.428 1.00 0.00 C ATOM 377 CD1 ILE A 47 -12.018 5.569 1.634 1.00 0.00 C ATOM 0 H ILE A 47 -12.295 2.409 3.849 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.111 4.466 5.561 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.480 4.530 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.544 5.247 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.303 3.776 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.007 6.966 3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.404 6.430 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.711 6.742 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.287 5.507 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.956 5.121 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.186 6.615 1.892 1.00 0.00 H new ATOM 378 N LEU A 48 -14.076 3.215 6.207 1.00 0.00 N ATOM 379 CA LEU A 48 -15.134 3.195 7.256 1.00 0.00 C ATOM 380 C LEU A 48 -14.557 2.605 8.543 1.00 0.00 C ATOM 381 O LEU A 48 -14.939 2.978 9.635 1.00 0.00 O ATOM 382 CB LEU A 48 -16.310 2.339 6.779 1.00 0.00 C ATOM 383 CG LEU A 48 -16.984 3.021 5.586 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.301 2.310 5.265 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.264 4.486 5.926 1.00 0.00 C ATOM 0 H LEU A 48 -14.180 2.517 5.470 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.482 4.210 7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.960 1.347 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.028 2.204 7.588 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.324 2.969 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.780 2.797 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.101 1.267 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.961 2.359 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.744 4.971 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.922 4.539 6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.326 4.993 6.151 1.00 0.00 H new ATOM 386 N GLU A 49 -13.634 1.689 8.426 1.00 0.00 N ATOM 387 CA GLU A 49 -13.029 1.081 9.642 1.00 0.00 C ATOM 388 C GLU A 49 -12.129 2.111 10.328 1.00 0.00 C ATOM 389 O GLU A 49 -11.989 2.123 11.535 1.00 0.00 O ATOM 390 CB GLU A 49 -12.195 -0.139 9.244 1.00 0.00 C ATOM 391 CG GLU A 49 -13.107 -1.206 8.636 1.00 0.00 C ATOM 392 CD GLU A 49 -12.274 -2.430 8.252 1.00 0.00 C ATOM 393 OE1 GLU A 49 -11.058 -2.332 8.293 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.866 -3.445 7.922 1.00 0.00 O ATOM 0 H GLU A 49 -13.274 1.336 7.539 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.819 0.771 10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.428 0.151 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.680 -0.541 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.880 -1.489 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.615 -0.808 7.757 1.00 0.00 H new ATOM 395 N LYS A 50 -11.521 2.979 9.565 1.00 0.00 N ATOM 396 CA LYS A 50 -10.634 4.010 10.172 1.00 0.00 C ATOM 397 C LYS A 50 -11.448 4.878 11.134 1.00 0.00 C ATOM 398 O LYS A 50 -10.961 5.308 12.160 1.00 0.00 O ATOM 399 CB LYS A 50 -10.044 4.889 9.066 1.00 0.00 C ATOM 400 CG LYS A 50 -9.057 5.885 9.678 1.00 0.00 C ATOM 401 CD LYS A 50 -8.544 6.829 8.588 1.00 0.00 C ATOM 402 CE LYS A 50 -7.406 7.685 9.148 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.118 7.264 8.527 1.00 0.00 N ATOM 0 H LYS A 50 -11.601 3.018 8.549 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.827 3.521 10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.539 4.269 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.840 5.422 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.543 6.456 10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.223 5.353 10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.193 6.255 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.354 7.468 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.594 8.739 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.353 7.576 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.343 7.845 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.939 6.263 8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.172 7.390 7.496 1.00 0.00 H new ATOM 404 N GLU A 51 -12.686 5.136 10.810 1.00 0.00 N ATOM 405 CA GLU A 51 -13.531 5.972 11.708 1.00 0.00 C ATOM 406 C GLU A 51 -13.562 5.347 13.103 1.00 0.00 C ATOM 407 O GLU A 51 -13.562 6.038 14.103 1.00 0.00 O ATOM 408 CB GLU A 51 -14.953 6.044 11.149 1.00 0.00 C ATOM 409 CG GLU A 51 -15.785 7.011 11.994 1.00 0.00 C ATOM 410 CD GLU A 51 -17.230 7.015 11.490 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.515 6.276 10.563 1.00 0.00 O ATOM 412 OE2 GLU A 51 -18.025 7.759 12.039 1.00 0.00 O ATOM 0 H GLU A 51 -13.148 4.804 9.963 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.114 6.977 11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.931 6.377 10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.408 5.054 11.156 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.755 6.713 13.042 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.365 8.015 11.936 1.00 0.00 H new ATOM 413 N ALA A 52 -13.586 4.044 13.179 1.00 0.00 N ATOM 414 CA ALA A 52 -13.615 3.376 14.510 1.00 0.00 C ATOM 415 C ALA A 52 -12.334 3.715 15.277 1.00 0.00 C ATOM 416 O ALA A 52 -12.313 3.739 16.491 1.00 0.00 O ATOM 417 CB ALA A 52 -13.709 1.861 14.318 1.00 0.00 C ATOM 0 H ALA A 52 -13.587 3.414 12.377 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.480 3.725 15.074 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.730 1.371 15.292 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.620 1.619 13.770 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.844 1.511 13.755 1.00 0.00 H new ATOM 418 N LYS A 53 -11.265 3.977 14.576 1.00 0.00 N ATOM 419 CA LYS A 53 -9.987 4.315 15.263 1.00 0.00 C ATOM 420 C LYS A 53 -10.177 5.584 16.096 1.00 0.00 C ATOM 421 O LYS A 53 -9.592 5.740 17.149 1.00 0.00 O ATOM 422 CB LYS A 53 -8.893 4.548 14.219 1.00 0.00 C ATOM 423 CG LYS A 53 -7.563 4.816 14.924 1.00 0.00 C ATOM 424 CD LYS A 53 -6.461 5.006 13.881 1.00 0.00 C ATOM 425 CE LYS A 53 -6.724 6.288 13.089 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.701 7.312 13.445 1.00 0.00 N ATOM 0 H LYS A 53 -11.222 3.972 13.557 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.696 3.492 15.916 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.804 3.677 13.570 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.156 5.393 13.583 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.644 5.705 15.549 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.315 3.984 15.583 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.488 5.061 14.370 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.431 4.149 13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.689 6.081 12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.723 6.665 13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.880 8.183 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.755 7.517 14.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.753 6.951 13.214 1.00 0.00 H new ATOM 427 N SER A 54 -10.991 6.493 15.633 1.00 0.00 N ATOM 428 CA SER A 54 -11.217 7.750 16.399 1.00 0.00 C ATOM 429 C SER A 54 -11.823 7.413 17.763 1.00 0.00 C ATOM 430 O SER A 54 -11.637 8.125 18.729 1.00 0.00 O ATOM 431 CB SER A 54 -12.177 8.655 15.623 1.00 0.00 C ATOM 432 OG SER A 54 -11.676 8.861 14.311 1.00 0.00 O ATOM 0 H SER A 54 -11.509 6.419 14.757 1.00 0.00 H new ATOM 0 HA SER A 54 -10.267 8.266 16.541 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.167 8.200 15.579 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.288 9.610 16.136 1.00 0.00 H new ATOM 0 HG SER A 54 -12.291 9.439 13.813 1.00 0.00 H new ATOM 433 N GLN A 55 -12.547 6.331 17.849 1.00 0.00 N ATOM 434 CA GLN A 55 -13.165 5.948 19.149 1.00 0.00 C ATOM 435 C GLN A 55 -12.244 4.971 19.882 1.00 0.00 C ATOM 436 O GLN A 55 -11.345 4.444 19.247 1.00 0.00 O ATOM 437 CB GLN A 55 -14.518 5.282 18.895 1.00 0.00 C ATOM 438 CG GLN A 55 -15.483 6.301 18.286 1.00 0.00 C ATOM 439 CD GLN A 55 -16.830 5.628 18.011 1.00 0.00 C ATOM 440 OE1 GLN A 55 -16.925 4.417 17.999 1.00 0.00 O ATOM 441 NE2 GLN A 55 -17.881 6.368 17.789 1.00 0.00 N ATOM 442 OXT GLN A 55 -12.454 4.764 21.066 1.00 0.00 O ATOM 0 H GLN A 55 -12.737 5.695 17.074 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.309 6.839 19.760 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.397 4.433 18.222 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -14.925 4.893 19.829 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.617 7.142 18.966 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.069 6.702 17.361 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.800 7.385 17.799 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.784 5.930 17.605 1.00 0.00 H new TER 443 GLN A 55