USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 170:sc= 0.226 USER MOD Set 1.2: A 39 ASN : amide:sc= -8.99! C(o=-8.6!,f=-8.5!) USER MOD Set 1.3: A 43 THR OG1 : rot -66:sc= 0.122 USER MOD Single : A 1 LYS N :NH3+ -164:sc= -0.025 (180deg=-0.349) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 7 MET CE :methyl -141:sc= -6.66! (180deg=-8.42!) USER MOD Single : A 9 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-5.4!) USER MOD Single : A 12 GLN : amide:sc= -0.878 K(o=-0.88,f=-0.25) USER MOD Single : A 15 MET CE :methyl -151:sc= -0.448 (180deg=-2.33!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.46) 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=-1.6!) USER MOD Single : A 26 LYS NZ :NH3+ 141:sc= -0.166 (180deg=-1.03) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 36 MET CE :methyl 140:sc= -0.298 (180deg=-1.49!) USER MOD Single : A 40 LYS NZ :NH3+ -129:sc= -0.0833 (180deg=-1.04) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.169 (180deg=-0.976) USER MOD Single : A 46 MET CE :methyl -156:sc= -0.282 (180deg=-1.68!) 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 -77:sc= 0.993 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.865 16.392 -3.060 1.00 0.00 N ATOM 2 CA LYS A 1 -8.228 16.036 -1.759 1.00 0.00 C ATOM 3 C LYS A 1 -8.992 14.876 -1.118 1.00 0.00 C ATOM 4 O LYS A 1 -9.798 15.067 -0.229 1.00 0.00 O ATOM 5 CB LYS A 1 -8.264 17.249 -0.826 1.00 0.00 C ATOM 6 CG LYS A 1 -7.412 18.373 -1.419 1.00 0.00 C ATOM 7 CD LYS A 1 -7.353 19.542 -0.433 1.00 0.00 C ATOM 8 CE LYS A 1 -6.605 20.713 -1.073 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.192 20.716 -0.602 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.211 16.977 -3.618 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.088 15.523 -3.587 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.741 16.924 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.193 15.739 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.291 17.588 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.888 16.975 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.406 18.009 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.836 18.704 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.362 19.849 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.851 19.233 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.637 20.629 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.089 21.654 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.683 21.512 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.171 20.816 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.734 19.823 -0.873 1.00 0.00 H new ATOM 10 N ASN A 2 -8.744 13.674 -1.561 1.00 0.00 N ATOM 11 CA ASN A 2 -9.456 12.503 -0.977 1.00 0.00 C ATOM 12 C ASN A 2 -10.963 12.665 -1.186 1.00 0.00 C ATOM 13 O ASN A 2 -11.748 12.479 -0.278 1.00 0.00 O ATOM 14 CB ASN A 2 -9.155 12.418 0.522 1.00 0.00 C ATOM 15 CG ASN A 2 -7.642 12.364 0.737 1.00 0.00 C ATOM 16 OD1 ASN A 2 -7.116 13.031 1.606 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.915 11.593 -0.024 1.00 0.00 N ATOM 0 H ASN A 2 -8.079 13.452 -2.302 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.117 11.591 -1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.576 13.281 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.625 11.532 0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.905 11.550 0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.357 11.033 -0.753 1.00 0.00 H new ATOM 18 N GLU A 3 -11.373 13.009 -2.375 1.00 0.00 N ATOM 19 CA GLU A 3 -12.830 13.183 -2.638 1.00 0.00 C ATOM 20 C GLU A 3 -13.569 11.888 -2.294 1.00 0.00 C ATOM 21 O GLU A 3 -14.683 11.909 -1.808 1.00 0.00 O ATOM 22 CB GLU A 3 -13.045 13.518 -4.115 1.00 0.00 C ATOM 23 CG GLU A 3 -14.508 13.910 -4.340 1.00 0.00 C ATOM 24 CD GLU A 3 -14.739 14.188 -5.827 1.00 0.00 C ATOM 25 OE1 GLU A 3 -13.789 14.078 -6.584 1.00 0.00 O ATOM 26 OE2 GLU A 3 -15.862 14.506 -6.182 1.00 0.00 O ATOM 0 H GLU A 3 -10.764 13.177 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.216 13.995 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.388 14.335 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.788 12.659 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.166 13.109 -4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.753 14.794 -3.751 1.00 0.00 H new ATOM 27 N ASP A 4 -12.961 10.760 -2.541 1.00 0.00 N ATOM 28 CA ASP A 4 -13.633 9.468 -2.226 1.00 0.00 C ATOM 29 C ASP A 4 -13.993 9.430 -0.740 1.00 0.00 C ATOM 30 O ASP A 4 -14.949 8.796 -0.339 1.00 0.00 O ATOM 31 CB ASP A 4 -12.692 8.308 -2.552 1.00 0.00 C ATOM 32 CG ASP A 4 -12.312 8.359 -4.032 1.00 0.00 C ATOM 33 OD1 ASP A 4 -12.776 9.261 -4.711 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.563 7.499 -4.461 1.00 0.00 O ATOM 0 H ASP A 4 -12.029 10.677 -2.947 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.540 9.377 -2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.796 8.368 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.175 7.358 -2.322 1.00 0.00 H new ATOM 35 N GLN A 5 -13.235 10.103 0.081 1.00 0.00 N ATOM 36 CA GLN A 5 -13.537 10.105 1.540 1.00 0.00 C ATOM 37 C GLN A 5 -14.930 10.696 1.769 1.00 0.00 C ATOM 38 O GLN A 5 -15.689 10.220 2.590 1.00 0.00 O ATOM 39 CB GLN A 5 -12.498 10.951 2.277 1.00 0.00 C ATOM 40 CG GLN A 5 -12.710 10.817 3.787 1.00 0.00 C ATOM 41 CD GLN A 5 -11.635 11.616 4.526 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.735 12.157 3.915 1.00 0.00 O ATOM 43 NE2 GLN A 5 -11.691 11.713 5.827 1.00 0.00 N ATOM 0 H GLN A 5 -12.420 10.651 -0.195 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.506 9.083 1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.493 10.626 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.585 11.996 1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.701 11.181 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.664 9.768 4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.447 11.259 6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.979 12.243 6.330 1.00 0.00 H new ATOM 44 N GLU A 6 -15.271 11.729 1.049 1.00 0.00 N ATOM 45 CA GLU A 6 -16.613 12.348 1.226 1.00 0.00 C ATOM 46 C GLU A 6 -17.691 11.367 0.759 1.00 0.00 C ATOM 47 O GLU A 6 -18.749 11.266 1.348 1.00 0.00 O ATOM 48 CB GLU A 6 -16.696 13.631 0.396 1.00 0.00 C ATOM 49 CG GLU A 6 -15.693 14.652 0.937 1.00 0.00 C ATOM 50 CD GLU A 6 -15.816 15.957 0.149 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.521 15.959 -0.848 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.205 16.932 0.553 1.00 0.00 O ATOM 0 H GLU A 6 -14.678 12.170 0.346 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.769 12.586 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.483 13.415 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.706 14.039 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.880 14.835 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.679 14.260 0.855 1.00 0.00 H new ATOM 53 N MET A 7 -17.431 10.640 -0.294 1.00 0.00 N ATOM 54 CA MET A 7 -18.441 9.665 -0.792 1.00 0.00 C ATOM 55 C MET A 7 -18.638 8.561 0.248 1.00 0.00 C ATOM 56 O MET A 7 -19.724 8.047 0.426 1.00 0.00 O ATOM 57 CB MET A 7 -17.954 9.048 -2.104 1.00 0.00 C ATOM 58 CG MET A 7 -17.836 10.140 -3.170 1.00 0.00 C ATOM 59 SD MET A 7 -19.420 11.000 -3.331 1.00 0.00 S ATOM 60 CE MET A 7 -20.411 9.564 -3.806 1.00 0.00 C ATOM 0 H MET A 7 -16.564 10.680 -0.830 1.00 0.00 H new ATOM 0 HA MET A 7 -19.387 10.178 -0.963 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.988 8.565 -1.955 1.00 0.00 H new ATOM 0 HB3 MET A 7 -18.649 8.276 -2.435 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.053 10.847 -2.897 1.00 0.00 H new ATOM 0 HG3 MET A 7 -17.550 9.701 -4.126 1.00 0.00 H new ATOM 0 HE1 MET A 7 -21.132 9.856 -4.570 1.00 0.00 H new ATOM 0 HE2 MET A 7 -19.758 8.786 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 7 -20.941 9.183 -2.933 1.00 0.00 H new ATOM 61 N CYS A 8 -17.592 8.192 0.936 1.00 0.00 N ATOM 62 CA CYS A 8 -17.715 7.122 1.965 1.00 0.00 C ATOM 63 C CYS A 8 -18.788 7.515 2.981 1.00 0.00 C ATOM 64 O CYS A 8 -19.595 6.705 3.389 1.00 0.00 O ATOM 65 CB CYS A 8 -16.377 6.945 2.684 1.00 0.00 C ATOM 66 SG CYS A 8 -16.539 5.659 3.948 1.00 0.00 S ATOM 0 H CYS A 8 -16.657 8.586 0.829 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.994 6.186 1.482 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.601 6.672 1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.071 7.885 3.143 1.00 0.00 H new ATOM 67 N HIS A 9 -18.803 8.755 3.389 1.00 0.00 N ATOM 68 CA HIS A 9 -19.826 9.202 4.375 1.00 0.00 C ATOM 69 C HIS A 9 -21.189 8.622 3.982 1.00 0.00 C ATOM 70 O HIS A 9 -21.894 8.058 4.795 1.00 0.00 O ATOM 71 CB HIS A 9 -19.887 10.734 4.376 1.00 0.00 C ATOM 72 CG HIS A 9 -21.173 11.196 5.007 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.403 10.992 4.404 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.436 11.852 6.185 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.343 11.514 5.211 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.808 12.051 6.312 1.00 0.00 N ATOM 0 H HIS A 9 -18.151 9.477 3.082 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.562 8.853 5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.037 11.140 4.924 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.817 11.110 3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.692 12.165 6.903 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.401 11.501 4.996 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.299 12.508 7.080 1.00 0.00 H new ATOM 77 N GLU A 10 -21.562 8.760 2.739 1.00 0.00 N ATOM 78 CA GLU A 10 -22.875 8.218 2.292 1.00 0.00 C ATOM 79 C GLU A 10 -22.954 6.724 2.612 1.00 0.00 C ATOM 80 O GLU A 10 -23.968 6.233 3.066 1.00 0.00 O ATOM 81 CB GLU A 10 -23.025 8.424 0.783 1.00 0.00 C ATOM 82 CG GLU A 10 -24.435 8.019 0.349 1.00 0.00 C ATOM 83 CD GLU A 10 -24.560 8.154 -1.169 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.591 8.559 -1.790 1.00 0.00 O ATOM 85 OE2 GLU A 10 -25.624 7.851 -1.685 1.00 0.00 O ATOM 0 H GLU A 10 -21.014 9.224 2.015 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.676 8.741 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.840 9.468 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.284 7.829 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.639 6.992 0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.174 8.650 0.843 1.00 0.00 H new ATOM 86 N PHE A 11 -21.895 5.992 2.383 1.00 0.00 N ATOM 87 CA PHE A 11 -21.929 4.533 2.681 1.00 0.00 C ATOM 88 C PHE A 11 -21.787 4.323 4.189 1.00 0.00 C ATOM 89 O PHE A 11 -22.082 3.264 4.708 1.00 0.00 O ATOM 90 CB PHE A 11 -20.780 3.818 1.955 1.00 0.00 C ATOM 91 CG PHE A 11 -21.311 3.066 0.750 1.00 0.00 C ATOM 92 CD1 PHE A 11 -22.565 2.438 0.800 1.00 0.00 C ATOM 93 CD2 PHE A 11 -20.547 3.000 -0.423 1.00 0.00 C ATOM 94 CE1 PHE A 11 -23.050 1.750 -0.318 1.00 0.00 C ATOM 95 CE2 PHE A 11 -21.036 2.314 -1.541 1.00 0.00 C ATOM 96 CZ PHE A 11 -22.287 1.690 -1.488 1.00 0.00 C ATOM 0 H PHE A 11 -21.014 6.340 2.005 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.877 4.120 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -20.032 4.545 1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -20.285 3.126 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -23.156 2.486 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -19.580 3.479 -0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -24.014 1.265 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -20.447 2.266 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 11 -22.664 1.162 -2.351 1.00 0.00 H new ATOM 97 N GLN A 12 -21.340 5.323 4.898 1.00 0.00 N ATOM 98 CA GLN A 12 -21.186 5.176 6.372 1.00 0.00 C ATOM 99 C GLN A 12 -22.539 4.819 6.987 1.00 0.00 C ATOM 100 O GLN A 12 -22.630 3.996 7.876 1.00 0.00 O ATOM 101 CB GLN A 12 -20.682 6.493 6.970 1.00 0.00 C ATOM 102 CG GLN A 12 -20.392 6.297 8.459 1.00 0.00 C ATOM 103 CD GLN A 12 -20.007 7.640 9.085 1.00 0.00 C ATOM 104 OE1 GLN A 12 -20.735 8.606 8.973 1.00 0.00 O ATOM 105 NE2 GLN A 12 -18.885 7.741 9.744 1.00 0.00 N ATOM 0 H GLN A 12 -21.075 6.233 4.521 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.467 4.386 6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.780 6.818 6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.428 7.276 6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -21.269 5.888 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.584 5.577 8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.274 6.930 9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.619 8.631 10.165 1.00 0.00 H new ATOM 106 N ALA A 13 -23.595 5.426 6.516 1.00 0.00 N ATOM 107 CA ALA A 13 -24.941 5.113 7.070 1.00 0.00 C ATOM 108 C ALA A 13 -25.273 3.649 6.777 1.00 0.00 C ATOM 109 O ALA A 13 -25.925 2.980 7.554 1.00 0.00 O ATOM 110 CB ALA A 13 -25.988 6.018 6.416 1.00 0.00 C ATOM 0 H ALA A 13 -23.583 6.124 5.772 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.944 5.282 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.973 5.788 6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.746 7.061 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.992 5.851 5.339 1.00 0.00 H new ATOM 111 N PHE A 14 -24.821 3.144 5.660 1.00 0.00 N ATOM 112 CA PHE A 14 -25.101 1.723 5.316 1.00 0.00 C ATOM 113 C PHE A 14 -24.083 0.819 6.018 1.00 0.00 C ATOM 114 O PHE A 14 -24.155 -0.391 5.940 1.00 0.00 O ATOM 115 CB PHE A 14 -24.989 1.533 3.801 1.00 0.00 C ATOM 116 CG PHE A 14 -26.061 2.343 3.111 1.00 0.00 C ATOM 117 CD1 PHE A 14 -27.349 1.815 2.963 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.767 3.620 2.620 1.00 0.00 C ATOM 119 CE1 PHE A 14 -28.343 2.565 2.324 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.761 4.370 1.980 1.00 0.00 C ATOM 121 CZ PHE A 14 -28.049 3.842 1.833 1.00 0.00 C ATOM 0 H PHE A 14 -24.270 3.656 4.971 1.00 0.00 H new ATOM 0 HA PHE A 14 -26.108 1.462 5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -24.003 1.846 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.095 0.478 3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.576 0.829 3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.773 4.027 2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -29.337 2.158 2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.534 5.355 1.600 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.816 4.421 1.340 1.00 0.00 H new ATOM 122 N MET A 15 -23.133 1.399 6.702 1.00 0.00 N ATOM 123 CA MET A 15 -22.112 0.573 7.408 1.00 0.00 C ATOM 124 C MET A 15 -22.700 0.060 8.725 1.00 0.00 C ATOM 125 O MET A 15 -23.179 0.821 9.540 1.00 0.00 O ATOM 126 CB MET A 15 -20.878 1.432 7.698 1.00 0.00 C ATOM 127 CG MET A 15 -19.660 0.530 7.913 1.00 0.00 C ATOM 128 SD MET A 15 -19.847 -0.369 9.473 1.00 0.00 S ATOM 129 CE MET A 15 -19.938 1.078 10.556 1.00 0.00 C ATOM 0 H MET A 15 -23.020 2.408 6.802 1.00 0.00 H new ATOM 0 HA MET A 15 -21.827 -0.273 6.783 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.695 2.115 6.868 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.049 2.045 8.583 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.563 -0.172 7.085 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.749 1.128 7.932 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.549 0.820 11.541 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.344 1.888 10.132 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.976 1.399 10.648 1.00 0.00 H new ATOM 130 N LYS A 16 -22.671 -1.229 8.937 1.00 0.00 N ATOM 131 CA LYS A 16 -23.233 -1.786 10.201 1.00 0.00 C ATOM 132 C LYS A 16 -22.266 -2.816 10.788 1.00 0.00 C ATOM 133 O LYS A 16 -21.526 -3.465 10.076 1.00 0.00 O ATOM 134 CB LYS A 16 -24.574 -2.461 9.907 1.00 0.00 C ATOM 135 CG LYS A 16 -25.548 -1.435 9.326 1.00 0.00 C ATOM 136 CD LYS A 16 -26.921 -2.085 9.143 1.00 0.00 C ATOM 137 CE LYS A 16 -27.881 -1.084 8.501 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.267 -1.353 8.976 1.00 0.00 N ATOM 0 H LYS A 16 -22.284 -1.918 8.292 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.377 -0.977 10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.433 -3.282 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.985 -2.890 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.626 -0.575 9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.177 -1.066 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.834 -2.973 8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.311 -2.412 10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.588 -0.066 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.835 -1.164 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -29.922 -0.673 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.544 -2.319 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.305 -1.255 10.011 1.00 0.00 H new ATOM 139 N ASN A 17 -22.270 -2.973 12.084 1.00 0.00 N ATOM 140 CA ASN A 17 -21.353 -3.963 12.718 1.00 0.00 C ATOM 141 C ASN A 17 -19.941 -3.780 12.157 1.00 0.00 C ATOM 142 O ASN A 17 -19.161 -4.709 12.099 1.00 0.00 O ATOM 143 CB ASN A 17 -21.843 -5.379 12.412 1.00 0.00 C ATOM 144 CG ASN A 17 -23.254 -5.566 12.976 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.539 -5.150 14.082 1.00 0.00 O ATOM 146 ND2 ASN A 17 -24.154 -6.179 12.258 1.00 0.00 N ATOM 0 H ASN A 17 -22.868 -2.459 12.731 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.339 -3.808 13.797 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.845 -5.549 11.335 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.165 -6.112 12.850 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -25.097 -6.309 12.625 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.915 -6.528 11.330 1.00 0.00 H new ATOM 147 N GLY A 18 -19.610 -2.590 11.736 1.00 0.00 N ATOM 148 CA GLY A 18 -18.252 -2.350 11.172 1.00 0.00 C ATOM 149 C GLY A 18 -18.181 -2.965 9.774 1.00 0.00 C ATOM 150 O GLY A 18 -17.120 -3.282 9.274 1.00 0.00 O ATOM 0 H GLY A 18 -20.221 -1.774 11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.047 -1.280 11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.492 -2.791 11.817 1.00 0.00 H new ATOM 151 N LYS A 19 -19.310 -3.136 9.144 1.00 0.00 N ATOM 152 CA LYS A 19 -19.329 -3.732 7.780 1.00 0.00 C ATOM 153 C LYS A 19 -20.059 -2.785 6.827 1.00 0.00 C ATOM 154 O LYS A 19 -21.020 -2.142 7.197 1.00 0.00 O ATOM 155 CB LYS A 19 -20.065 -5.070 7.826 1.00 0.00 C ATOM 156 CG LYS A 19 -19.744 -5.874 6.565 1.00 0.00 C ATOM 157 CD LYS A 19 -21.044 -6.384 5.939 1.00 0.00 C ATOM 158 CE LYS A 19 -20.773 -7.693 5.197 1.00 0.00 C ATOM 159 NZ LYS A 19 -21.984 -8.089 4.424 1.00 0.00 N ATOM 0 H LYS A 19 -20.226 -2.887 9.518 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.308 -3.887 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.768 -5.630 8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.140 -4.903 7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.204 -5.251 5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.093 -6.713 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.796 -6.541 6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.445 -5.640 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.923 -7.573 4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.510 -8.477 5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.798 -8.979 3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.784 -8.220 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.216 -7.344 3.737 1.00 0.00 H new ATOM 160 N LEU A 20 -19.614 -2.694 5.605 1.00 0.00 N ATOM 161 CA LEU A 20 -20.291 -1.786 4.636 1.00 0.00 C ATOM 162 C LEU A 20 -21.224 -2.598 3.734 1.00 0.00 C ATOM 163 O LEU A 20 -20.784 -3.377 2.912 1.00 0.00 O ATOM 164 CB LEU A 20 -19.238 -1.082 3.776 1.00 0.00 C ATOM 165 CG LEU A 20 -19.926 -0.356 2.618 1.00 0.00 C ATOM 166 CD1 LEU A 20 -20.717 0.832 3.161 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.874 0.146 1.628 1.00 0.00 C ATOM 0 H LEU A 20 -18.814 -3.207 5.236 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.872 -1.044 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.675 -0.372 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.523 -1.809 3.390 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.602 -1.045 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -21.207 1.350 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -21.469 0.477 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -20.040 1.518 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -19.367 0.663 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.197 0.834 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.308 -0.700 1.239 1.00 0.00 H new ATOM 168 N PHE A 21 -22.509 -2.417 3.877 1.00 0.00 N ATOM 169 CA PHE A 21 -23.468 -3.174 3.024 1.00 0.00 C ATOM 170 C PHE A 21 -23.679 -2.416 1.712 1.00 0.00 C ATOM 171 O PHE A 21 -24.171 -1.306 1.699 1.00 0.00 O ATOM 172 CB PHE A 21 -24.804 -3.313 3.756 1.00 0.00 C ATOM 173 CG PHE A 21 -24.621 -4.182 4.976 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.918 -3.692 6.084 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.153 -5.476 5.002 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.749 -4.497 7.217 1.00 0.00 C ATOM 177 CE2 PHE A 21 -24.984 -6.282 6.135 1.00 0.00 C ATOM 178 CZ PHE A 21 -24.281 -5.791 7.243 1.00 0.00 C ATOM 0 H PHE A 21 -22.936 -1.778 4.548 1.00 0.00 H new ATOM 0 HA PHE A 21 -23.068 -4.166 2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -25.175 -2.331 4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.550 -3.751 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.506 -2.694 6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.695 -5.854 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.208 -4.119 8.072 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -25.395 -7.281 6.154 1.00 0.00 H new ATOM 0 HZ PHE A 21 -24.150 -6.411 8.117 1.00 0.00 H new ATOM 179 N CYS A 22 -23.304 -3.002 0.609 1.00 0.00 N ATOM 180 CA CYS A 22 -23.478 -2.309 -0.698 1.00 0.00 C ATOM 181 C CYS A 22 -24.783 -2.766 -1.355 1.00 0.00 C ATOM 182 O CYS A 22 -24.994 -3.939 -1.588 1.00 0.00 O ATOM 183 CB CYS A 22 -22.300 -2.647 -1.612 1.00 0.00 C ATOM 184 SG CYS A 22 -21.640 -1.123 -2.331 1.00 0.00 S ATOM 0 H CYS A 22 -22.885 -3.930 0.556 1.00 0.00 H new ATOM 0 HA CYS A 22 -23.516 -1.232 -0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.523 -3.162 -1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -22.622 -3.325 -2.402 1.00 0.00 H new ATOM 185 N PRO A 23 -25.676 -1.810 -1.660 1.00 0.00 N ATOM 186 CA PRO A 23 -26.969 -2.101 -2.293 1.00 0.00 C ATOM 187 C PRO A 23 -26.807 -2.543 -3.751 1.00 0.00 C ATOM 188 O PRO A 23 -25.740 -2.940 -4.175 1.00 0.00 O ATOM 189 CB PRO A 23 -27.704 -0.763 -2.236 1.00 0.00 C ATOM 190 CG PRO A 23 -26.621 0.261 -2.173 1.00 0.00 C ATOM 191 CD PRO A 23 -25.493 -0.369 -1.408 1.00 0.00 C ATOM 0 HA PRO A 23 -27.492 -2.915 -1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -28.334 -0.620 -3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -28.355 -0.705 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.299 0.550 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.970 1.167 -1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.523 -0.019 -1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -25.549 -0.136 -0.345 1.00 0.00 H new ATOM 192 N GLN A 24 -27.860 -2.476 -4.520 1.00 0.00 N ATOM 193 CA GLN A 24 -27.771 -2.891 -5.949 1.00 0.00 C ATOM 194 C GLN A 24 -26.755 -2.008 -6.676 1.00 0.00 C ATOM 195 O GLN A 24 -26.073 -2.445 -7.582 1.00 0.00 O ATOM 196 CB GLN A 24 -29.141 -2.740 -6.612 1.00 0.00 C ATOM 197 CG GLN A 24 -30.116 -3.755 -6.011 1.00 0.00 C ATOM 198 CD GLN A 24 -31.492 -3.586 -6.659 1.00 0.00 C ATOM 199 OE1 GLN A 24 -31.772 -2.567 -7.260 1.00 0.00 O ATOM 200 NE2 GLN A 24 -32.369 -4.548 -6.565 1.00 0.00 N ATOM 0 H GLN A 24 -28.779 -2.151 -4.220 1.00 0.00 H new ATOM 0 HA GLN A 24 -27.453 -3.932 -6.003 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -29.518 -1.728 -6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -29.055 -2.896 -7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -29.748 -4.768 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -30.190 -3.611 -4.933 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -32.135 -5.404 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -33.288 -4.444 -6.995 1.00 0.00 H new ATOM 201 N ASP A 25 -26.651 -0.769 -6.287 1.00 0.00 N ATOM 202 CA ASP A 25 -25.680 0.143 -6.956 1.00 0.00 C ATOM 203 C ASP A 25 -25.907 0.109 -8.469 1.00 0.00 C ATOM 204 O ASP A 25 -24.992 -0.114 -9.237 1.00 0.00 O ATOM 205 CB ASP A 25 -24.254 -0.314 -6.642 1.00 0.00 C ATOM 206 CG ASP A 25 -23.983 -0.149 -5.146 1.00 0.00 C ATOM 207 OD1 ASP A 25 -24.648 0.666 -4.529 1.00 0.00 O ATOM 208 OD2 ASP A 25 -23.113 -0.840 -4.641 1.00 0.00 O ATOM 0 H ASP A 25 -27.196 -0.347 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 25 -25.824 1.160 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.122 -1.356 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.538 0.271 -7.219 1.00 0.00 H new ATOM 209 N LYS A 26 -27.117 0.330 -8.906 1.00 0.00 N ATOM 210 CA LYS A 26 -27.397 0.311 -10.369 1.00 0.00 C ATOM 211 C LYS A 26 -26.584 1.411 -11.056 1.00 0.00 C ATOM 212 O LYS A 26 -26.166 1.272 -12.188 1.00 0.00 O ATOM 213 CB LYS A 26 -28.888 0.554 -10.612 1.00 0.00 C ATOM 214 CG LYS A 26 -29.185 0.441 -12.109 1.00 0.00 C ATOM 215 CD LYS A 26 -30.659 0.764 -12.363 1.00 0.00 C ATOM 216 CE LYS A 26 -30.998 0.481 -13.828 1.00 0.00 C ATOM 217 NZ LYS A 26 -30.727 -0.952 -14.133 1.00 0.00 N ATOM 0 H LYS A 26 -27.924 0.523 -8.312 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.118 -0.660 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.481 -0.173 -10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.171 1.542 -10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -28.550 1.127 -12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.956 -0.565 -12.461 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -31.292 0.163 -11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -30.859 1.809 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.045 0.713 -14.021 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -30.404 1.121 -14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -31.470 -1.320 -14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -29.803 -1.038 -14.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -30.719 -1.500 -13.249 1.00 0.00 H new ATOM 218 N LYS A 27 -26.358 2.501 -10.379 1.00 0.00 N ATOM 219 CA LYS A 27 -25.573 3.610 -10.992 1.00 0.00 C ATOM 220 C LYS A 27 -24.142 3.136 -11.253 1.00 0.00 C ATOM 221 O LYS A 27 -23.576 2.389 -10.481 1.00 0.00 O ATOM 222 CB LYS A 27 -25.549 4.805 -10.038 1.00 0.00 C ATOM 223 CG LYS A 27 -26.130 6.032 -10.744 1.00 0.00 C ATOM 224 CD LYS A 27 -27.493 6.372 -10.135 1.00 0.00 C ATOM 225 CE LYS A 27 -28.298 7.214 -11.127 1.00 0.00 C ATOM 226 NZ LYS A 27 -29.745 7.138 -10.782 1.00 0.00 N ATOM 0 H LYS A 27 -26.682 2.673 -9.427 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.035 3.907 -11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.127 4.580 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.527 5.007 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.452 6.879 -10.641 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.235 5.835 -11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -28.034 5.457 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.360 6.918 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.960 8.250 -11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -28.136 6.853 -12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -30.293 7.710 -11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -30.062 6.149 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -29.892 7.502 -9.819 1.00 0.00 H new ATOM 227 N PRO A 28 -23.550 3.584 -12.370 1.00 0.00 N ATOM 228 CA PRO A 28 -22.181 3.210 -12.746 1.00 0.00 C ATOM 229 C PRO A 28 -21.143 3.854 -11.824 1.00 0.00 C ATOM 230 O PRO A 28 -21.193 5.036 -11.549 1.00 0.00 O ATOM 231 CB PRO A 28 -22.035 3.764 -14.164 1.00 0.00 C ATOM 232 CG PRO A 28 -23.016 4.885 -14.231 1.00 0.00 C ATOM 233 CD PRO A 28 -24.170 4.489 -13.353 1.00 0.00 C ATOM 0 HA PRO A 28 -22.017 2.135 -12.675 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.020 4.114 -14.351 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.252 3.002 -14.912 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -22.567 5.816 -13.886 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.347 5.051 -15.256 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.626 5.355 -12.872 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -24.955 3.990 -13.921 1.00 0.00 H new ATOM 234 N ILE A 29 -20.202 3.087 -11.346 1.00 0.00 N ATOM 235 CA ILE A 29 -19.161 3.660 -10.445 1.00 0.00 C ATOM 236 C ILE A 29 -17.773 3.374 -11.020 1.00 0.00 C ATOM 237 O ILE A 29 -17.604 2.539 -11.886 1.00 0.00 O ATOM 238 CB ILE A 29 -19.267 3.031 -9.050 1.00 0.00 C ATOM 239 CG1 ILE A 29 -19.909 1.645 -9.152 1.00 0.00 C ATOM 240 CG2 ILE A 29 -20.116 3.926 -8.143 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.926 0.685 -9.825 1.00 0.00 C ATOM 0 H ILE A 29 -20.108 2.090 -11.540 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.315 4.736 -10.367 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.268 2.932 -8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.172 1.279 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -20.833 1.700 -9.727 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.189 3.476 -7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.650 4.908 -8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -21.114 4.032 -8.568 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -19.378 -0.304 -9.901 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.685 1.051 -10.823 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.014 0.623 -9.231 1.00 0.00 H new ATOM 242 N GLN A 30 -16.778 4.061 -10.534 1.00 0.00 N ATOM 243 CA GLN A 30 -15.391 3.842 -11.030 1.00 0.00 C ATOM 244 C GLN A 30 -14.425 4.058 -9.866 1.00 0.00 C ATOM 245 O GLN A 30 -14.457 5.080 -9.210 1.00 0.00 O ATOM 246 CB GLN A 30 -15.083 4.839 -12.148 1.00 0.00 C ATOM 247 CG GLN A 30 -13.701 4.543 -12.734 1.00 0.00 C ATOM 248 CD GLN A 30 -13.456 5.451 -13.941 1.00 0.00 C ATOM 249 OE1 GLN A 30 -14.332 6.190 -14.347 1.00 0.00 O ATOM 250 NE2 GLN A 30 -12.296 5.427 -14.535 1.00 0.00 N ATOM 0 H GLN A 30 -16.867 4.771 -9.808 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.286 2.830 -11.421 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.842 4.772 -12.928 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.114 5.857 -11.760 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.931 4.707 -11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -13.637 3.497 -13.033 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.561 4.807 -14.194 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.123 6.028 -15.341 1.00 0.00 H new ATOM 251 N SER A 31 -13.575 3.104 -9.593 1.00 0.00 N ATOM 252 CA SER A 31 -12.633 3.257 -8.447 1.00 0.00 C ATOM 253 C SER A 31 -11.452 4.139 -8.846 1.00 0.00 C ATOM 254 O SER A 31 -10.960 4.085 -9.956 1.00 0.00 O ATOM 255 CB SER A 31 -12.119 1.879 -8.025 1.00 0.00 C ATOM 256 OG SER A 31 -12.177 1.766 -6.611 1.00 0.00 O ATOM 0 H SER A 31 -13.493 2.229 -10.111 1.00 0.00 H new ATOM 0 HA SER A 31 -13.160 3.726 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.721 1.097 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.095 1.740 -8.370 1.00 0.00 H new ATOM 0 HG SER A 31 -12.004 0.838 -6.350 1.00 0.00 H new ATOM 257 N LEU A 32 -11.000 4.956 -7.935 1.00 0.00 N ATOM 258 CA LEU A 32 -9.855 5.859 -8.229 1.00 0.00 C ATOM 259 C LEU A 32 -8.547 5.118 -7.959 1.00 0.00 C ATOM 260 O LEU A 32 -7.489 5.521 -8.400 1.00 0.00 O ATOM 261 CB LEU A 32 -9.935 7.088 -7.322 1.00 0.00 C ATOM 262 CG LEU A 32 -11.221 7.867 -7.611 1.00 0.00 C ATOM 263 CD1 LEU A 32 -12.435 7.063 -7.140 1.00 0.00 C ATOM 264 CD2 LEU A 32 -11.183 9.197 -6.860 1.00 0.00 C ATOM 0 H LEU A 32 -11.379 5.036 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.892 6.170 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.913 6.781 -6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.068 7.728 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.299 8.045 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.346 7.624 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.467 6.110 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.358 6.882 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.097 9.756 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.103 9.008 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.322 9.777 -7.191 1.00 0.00 H new ATOM 265 N ASP A 33 -8.613 4.036 -7.234 1.00 0.00 N ATOM 266 CA ASP A 33 -7.376 3.266 -6.932 1.00 0.00 C ATOM 267 C ASP A 33 -6.958 2.460 -8.165 1.00 0.00 C ATOM 268 O ASP A 33 -5.994 1.721 -8.136 1.00 0.00 O ATOM 269 CB ASP A 33 -7.640 2.312 -5.766 1.00 0.00 C ATOM 270 CG ASP A 33 -7.962 3.121 -4.509 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.704 4.313 -4.514 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.462 2.535 -3.562 1.00 0.00 O ATOM 0 H ASP A 33 -9.471 3.652 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.577 3.957 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.470 1.648 -6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.767 1.682 -5.593 1.00 0.00 H new ATOM 273 N GLY A 34 -7.675 2.593 -9.249 1.00 0.00 N ATOM 274 CA GLY A 34 -7.321 1.832 -10.478 1.00 0.00 C ATOM 275 C GLY A 34 -8.195 0.582 -10.564 1.00 0.00 C ATOM 276 O GLY A 34 -7.831 -0.405 -11.172 1.00 0.00 O ATOM 0 H GLY A 34 -8.492 3.198 -9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.468 2.455 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.268 1.553 -10.457 1.00 0.00 H new ATOM 277 N ILE A 35 -9.349 0.615 -9.953 1.00 0.00 N ATOM 278 CA ILE A 35 -10.247 -0.571 -9.994 1.00 0.00 C ATOM 279 C ILE A 35 -11.583 -0.173 -10.625 1.00 0.00 C ATOM 280 O ILE A 35 -12.057 0.932 -10.452 1.00 0.00 O ATOM 281 CB ILE A 35 -10.494 -1.079 -8.570 1.00 0.00 C ATOM 282 CG1 ILE A 35 -9.186 -1.059 -7.774 1.00 0.00 C ATOM 283 CG2 ILE A 35 -11.032 -2.511 -8.627 1.00 0.00 C ATOM 284 CD1 ILE A 35 -9.449 -0.487 -6.378 1.00 0.00 C ATOM 0 H ILE A 35 -9.707 1.413 -9.428 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.779 -1.358 -10.585 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.221 -0.432 -8.080 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.780 -2.067 -7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.441 -0.455 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.208 -2.874 -7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.968 -2.526 -9.186 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.304 -3.154 -9.121 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.519 -0.472 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.836 0.528 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.180 -1.109 -5.861 1.00 0.00 H new ATOM 285 N MET A 36 -12.197 -1.066 -11.352 1.00 0.00 N ATOM 286 CA MET A 36 -13.505 -0.739 -11.987 1.00 0.00 C ATOM 287 C MET A 36 -14.637 -1.259 -11.100 1.00 0.00 C ATOM 288 O MET A 36 -15.706 -1.593 -11.571 1.00 0.00 O ATOM 289 CB MET A 36 -13.585 -1.406 -13.361 1.00 0.00 C ATOM 290 CG MET A 36 -12.441 -0.900 -14.242 1.00 0.00 C ATOM 291 SD MET A 36 -12.550 -1.669 -15.877 1.00 0.00 S ATOM 292 CE MET A 36 -14.112 -0.906 -16.382 1.00 0.00 C ATOM 0 H MET A 36 -11.850 -2.008 -11.534 1.00 0.00 H new ATOM 0 HA MET A 36 -13.597 0.341 -12.104 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.525 -2.489 -13.255 1.00 0.00 H new ATOM 0 HB3 MET A 36 -14.544 -1.184 -13.829 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.492 0.185 -14.335 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.482 -1.136 -13.781 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.056 -0.624 -17.433 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.927 -1.616 -16.240 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.295 -0.018 -15.777 1.00 0.00 H new ATOM 293 N PHE A 37 -14.406 -1.331 -9.818 1.00 0.00 N ATOM 294 CA PHE A 37 -15.462 -1.832 -8.895 1.00 0.00 C ATOM 295 C PHE A 37 -16.128 -0.653 -8.185 1.00 0.00 C ATOM 296 O PHE A 37 -15.641 0.460 -8.220 1.00 0.00 O ATOM 297 CB PHE A 37 -14.827 -2.754 -7.853 1.00 0.00 C ATOM 298 CG PHE A 37 -15.895 -3.279 -6.925 1.00 0.00 C ATOM 299 CD1 PHE A 37 -16.577 -4.461 -7.239 1.00 0.00 C ATOM 300 CD2 PHE A 37 -16.203 -2.586 -5.748 1.00 0.00 C ATOM 301 CE1 PHE A 37 -17.568 -4.949 -6.378 1.00 0.00 C ATOM 302 CE2 PHE A 37 -17.193 -3.073 -4.887 1.00 0.00 C ATOM 303 CZ PHE A 37 -17.876 -4.254 -5.202 1.00 0.00 C ATOM 0 H PHE A 37 -13.530 -1.064 -9.369 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.211 -2.381 -9.467 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.320 -3.583 -8.347 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.071 -2.212 -7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -16.339 -4.997 -8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -15.676 -1.675 -5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -18.094 -5.860 -6.621 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -17.430 -2.538 -3.979 1.00 0.00 H new ATOM 0 HZ PHE A 37 -18.641 -4.629 -4.538 1.00 0.00 H new ATOM 304 N ILE A 38 -17.237 -0.887 -7.536 1.00 0.00 N ATOM 305 CA ILE A 38 -17.928 0.221 -6.822 1.00 0.00 C ATOM 306 C ILE A 38 -16.899 1.018 -6.019 1.00 0.00 C ATOM 307 O ILE A 38 -16.451 0.595 -4.972 1.00 0.00 O ATOM 308 CB ILE A 38 -18.983 -0.356 -5.875 1.00 0.00 C ATOM 309 CG1 ILE A 38 -19.989 -1.184 -6.675 1.00 0.00 C ATOM 310 CG2 ILE A 38 -19.714 0.788 -5.170 1.00 0.00 C ATOM 311 CD1 ILE A 38 -20.970 -1.863 -5.716 1.00 0.00 C ATOM 0 H ILE A 38 -17.693 -1.797 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.416 0.875 -7.545 1.00 0.00 H new ATOM 0 HB ILE A 38 -18.497 -0.991 -5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -20.530 -0.544 -7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -19.467 -1.934 -7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -20.466 0.378 -4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.998 1.380 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -20.199 1.422 -5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -21.687 -2.453 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -20.422 -2.516 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -21.501 -1.104 -5.141 1.00 0.00 H new ATOM 312 N ASN A 39 -16.516 2.165 -6.508 1.00 0.00 N ATOM 313 CA ASN A 39 -15.508 2.987 -5.781 1.00 0.00 C ATOM 314 C ASN A 39 -16.010 3.301 -4.376 1.00 0.00 C ATOM 315 O ASN A 39 -15.354 3.016 -3.401 1.00 0.00 O ATOM 316 CB ASN A 39 -15.280 4.295 -6.532 1.00 0.00 C ATOM 317 CG ASN A 39 -14.213 5.124 -5.809 1.00 0.00 C ATOM 318 OD1 ASN A 39 -14.433 6.276 -5.493 1.00 0.00 O ATOM 319 ND2 ASN A 39 -13.054 4.584 -5.535 1.00 0.00 N ATOM 0 H ASN A 39 -16.858 2.569 -7.380 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.574 2.429 -5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.963 4.089 -7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -16.212 4.857 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.337 5.130 -5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.867 3.617 -5.799 1.00 0.00 H new ATOM 320 N LYS A 40 -17.160 3.899 -4.262 1.00 0.00 N ATOM 321 CA LYS A 40 -17.682 4.238 -2.911 1.00 0.00 C ATOM 322 C LYS A 40 -17.482 3.053 -1.968 1.00 0.00 C ATOM 323 O LYS A 40 -16.858 3.168 -0.933 1.00 0.00 O ATOM 324 CB LYS A 40 -19.171 4.578 -3.005 1.00 0.00 C ATOM 325 CG LYS A 40 -19.366 5.763 -3.954 1.00 0.00 C ATOM 326 CD LYS A 40 -20.862 6.020 -4.147 1.00 0.00 C ATOM 327 CE LYS A 40 -21.061 7.102 -5.210 1.00 0.00 C ATOM 328 NZ LYS A 40 -21.536 6.474 -6.475 1.00 0.00 N ATOM 0 H LYS A 40 -17.760 4.167 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.140 5.100 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.730 3.714 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.562 4.821 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.883 6.652 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.895 5.555 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.364 5.101 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -21.312 6.333 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.785 7.839 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.125 7.633 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.940 6.793 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.477 5.439 -6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.523 6.752 -6.651 1.00 0.00 H new ATOM 329 N CYS A 41 -18.003 1.916 -2.319 1.00 0.00 N ATOM 330 CA CYS A 41 -17.843 0.722 -1.443 1.00 0.00 C ATOM 331 C CYS A 41 -16.382 0.263 -1.461 1.00 0.00 C ATOM 332 O CYS A 41 -15.896 -0.330 -0.517 1.00 0.00 O ATOM 333 CB CYS A 41 -18.727 -0.412 -1.964 1.00 0.00 C ATOM 334 SG CYS A 41 -20.253 -0.500 -0.997 1.00 0.00 S ATOM 0 H CYS A 41 -18.534 1.758 -3.175 1.00 0.00 H new ATOM 0 HA CYS A 41 -18.134 0.981 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.962 -0.247 -3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -18.192 -1.360 -1.902 1.00 0.00 H new ATOM 335 N ALA A 42 -15.681 0.519 -2.531 1.00 0.00 N ATOM 336 CA ALA A 42 -14.256 0.084 -2.615 1.00 0.00 C ATOM 337 C ALA A 42 -13.354 1.061 -1.857 1.00 0.00 C ATOM 338 O ALA A 42 -12.314 0.687 -1.350 1.00 0.00 O ATOM 339 CB ALA A 42 -13.828 0.038 -4.082 1.00 0.00 C ATOM 0 H ALA A 42 -16.033 1.011 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.162 -0.905 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.787 -0.279 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.458 -0.669 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.933 1.029 -4.523 1.00 0.00 H new ATOM 340 N THR A 43 -13.731 2.306 -1.775 1.00 0.00 N ATOM 341 CA THR A 43 -12.880 3.290 -1.052 1.00 0.00 C ATOM 342 C THR A 43 -13.497 3.582 0.314 1.00 0.00 C ATOM 343 O THR A 43 -12.803 3.821 1.280 1.00 0.00 O ATOM 344 CB THR A 43 -12.787 4.583 -1.867 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.998 4.777 -2.584 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.616 4.486 -2.850 1.00 0.00 C ATOM 0 H THR A 43 -14.589 2.684 -2.176 1.00 0.00 H new ATOM 0 HA THR A 43 -11.879 2.880 -0.917 1.00 0.00 H new ATOM 0 HB THR A 43 -12.624 5.426 -1.196 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.101 4.066 -3.251 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.550 5.407 -3.430 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.688 4.338 -2.297 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.775 3.644 -3.523 1.00 0.00 H new ATOM 347 N CYS A 44 -14.798 3.557 0.405 1.00 0.00 N ATOM 348 CA CYS A 44 -15.453 3.826 1.713 1.00 0.00 C ATOM 349 C CYS A 44 -15.103 2.700 2.687 1.00 0.00 C ATOM 350 O CYS A 44 -14.946 2.918 3.873 1.00 0.00 O ATOM 351 CB CYS A 44 -16.970 3.890 1.526 1.00 0.00 C ATOM 352 SG CYS A 44 -17.760 4.287 3.106 1.00 0.00 S ATOM 0 H CYS A 44 -15.434 3.362 -0.369 1.00 0.00 H new ATOM 0 HA CYS A 44 -15.102 4.779 2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -17.223 4.645 0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -17.341 2.936 1.152 1.00 0.00 H new ATOM 353 N LYS A 45 -14.973 1.497 2.195 1.00 0.00 N ATOM 354 CA LYS A 45 -14.627 0.361 3.094 1.00 0.00 C ATOM 355 C LYS A 45 -13.281 0.642 3.762 1.00 0.00 C ATOM 356 O LYS A 45 -13.132 0.518 4.962 1.00 0.00 O ATOM 357 CB LYS A 45 -14.532 -0.930 2.276 1.00 0.00 C ATOM 358 CG LYS A 45 -14.599 -2.134 3.219 1.00 0.00 C ATOM 359 CD LYS A 45 -14.481 -3.425 2.405 1.00 0.00 C ATOM 360 CE LYS A 45 -14.497 -4.628 3.350 1.00 0.00 C ATOM 361 NZ LYS A 45 -13.465 -4.442 4.408 1.00 0.00 N ATOM 0 H LYS A 45 -15.091 1.253 1.212 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.399 0.249 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.345 -0.975 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.600 -0.948 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.796 -2.080 3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.538 -2.125 3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.305 -3.496 1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.559 -3.418 1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.483 -4.735 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.301 -5.544 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.197 -5.368 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.626 -3.983 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.850 -3.845 5.167 1.00 0.00 H new ATOM 362 N MET A 46 -12.298 1.027 2.993 1.00 0.00 N ATOM 363 CA MET A 46 -10.963 1.325 3.583 1.00 0.00 C ATOM 364 C MET A 46 -11.033 2.655 4.332 1.00 0.00 C ATOM 365 O MET A 46 -10.198 2.958 5.162 1.00 0.00 O ATOM 366 CB MET A 46 -9.922 1.424 2.465 1.00 0.00 C ATOM 367 CG MET A 46 -9.865 0.100 1.702 1.00 0.00 C ATOM 368 SD MET A 46 -9.461 -1.240 2.850 1.00 0.00 S ATOM 369 CE MET A 46 -7.854 -0.601 3.384 1.00 0.00 C ATOM 0 H MET A 46 -12.363 1.148 1.982 1.00 0.00 H new ATOM 0 HA MET A 46 -10.679 0.529 4.272 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.179 2.237 1.786 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.943 1.657 2.885 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.823 -0.096 1.220 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.116 0.155 0.912 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.238 -1.424 3.747 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.357 -0.118 2.543 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.999 0.124 4.185 1.00 0.00 H new ATOM 370 N ILE A 47 -12.025 3.451 4.043 1.00 0.00 N ATOM 371 CA ILE A 47 -12.155 4.762 4.734 1.00 0.00 C ATOM 372 C ILE A 47 -12.962 4.579 6.022 1.00 0.00 C ATOM 373 O ILE A 47 -12.781 5.299 6.985 1.00 0.00 O ATOM 374 CB ILE A 47 -12.866 5.753 3.812 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.977 6.053 2.602 1.00 0.00 C ATOM 376 CG2 ILE A 47 -13.144 7.052 4.568 1.00 0.00 C ATOM 377 CD1 ILE A 47 -12.830 6.631 1.473 1.00 0.00 C ATOM 0 H ILE A 47 -12.752 3.249 3.357 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.166 5.148 4.981 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.808 5.319 3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.194 6.759 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.481 5.142 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.651 7.756 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.777 6.843 5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.202 7.485 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.197 6.845 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.596 5.909 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.306 7.552 1.811 1.00 0.00 H new ATOM 378 N LEU A 48 -13.846 3.618 6.054 1.00 0.00 N ATOM 379 CA LEU A 48 -14.651 3.393 7.290 1.00 0.00 C ATOM 380 C LEU A 48 -13.780 2.688 8.331 1.00 0.00 C ATOM 381 O LEU A 48 -14.002 2.802 9.519 1.00 0.00 O ATOM 382 CB LEU A 48 -15.868 2.516 6.971 1.00 0.00 C ATOM 383 CG LEU A 48 -16.898 3.308 6.155 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.245 2.584 6.200 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.058 4.714 6.740 1.00 0.00 C ATOM 0 H LEU A 48 -14.045 2.982 5.282 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.994 4.352 7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.553 1.634 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.322 2.162 7.897 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.555 3.386 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.979 3.145 5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.136 1.585 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.582 2.506 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.791 5.270 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.397 4.642 7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.100 5.232 6.708 1.00 0.00 H new ATOM 386 N GLU A 49 -12.789 1.961 7.893 1.00 0.00 N ATOM 387 CA GLU A 49 -11.903 1.249 8.857 1.00 0.00 C ATOM 388 C GLU A 49 -11.071 2.273 9.634 1.00 0.00 C ATOM 389 O GLU A 49 -10.818 2.115 10.811 1.00 0.00 O ATOM 390 CB GLU A 49 -10.971 0.305 8.094 1.00 0.00 C ATOM 391 CG GLU A 49 -11.789 -0.829 7.472 1.00 0.00 C ATOM 392 CD GLU A 49 -10.854 -1.780 6.723 1.00 0.00 C ATOM 393 OE1 GLU A 49 -9.681 -1.464 6.615 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.328 -2.810 6.270 1.00 0.00 O ATOM 0 H GLU A 49 -12.554 1.829 6.909 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.511 0.671 9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.439 0.853 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.218 -0.103 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.330 -1.370 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.535 -0.422 6.789 1.00 0.00 H new ATOM 395 N LYS A 50 -10.647 3.322 8.984 1.00 0.00 N ATOM 396 CA LYS A 50 -9.834 4.354 9.688 1.00 0.00 C ATOM 397 C LYS A 50 -10.595 4.846 10.921 1.00 0.00 C ATOM 398 O LYS A 50 -10.009 5.182 11.931 1.00 0.00 O ATOM 399 CB LYS A 50 -9.575 5.532 8.747 1.00 0.00 C ATOM 400 CG LYS A 50 -8.733 5.058 7.561 1.00 0.00 C ATOM 401 CD LYS A 50 -8.385 6.253 6.670 1.00 0.00 C ATOM 402 CE LYS A 50 -7.639 5.762 5.429 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.484 6.662 5.155 1.00 0.00 N ATOM 0 H LYS A 50 -10.828 3.509 7.998 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.883 3.919 9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.520 5.945 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.057 6.330 9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.821 4.579 7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.282 4.311 6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.294 6.779 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.769 6.964 7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.290 4.741 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.311 5.744 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.976 6.328 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.829 7.629 4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.839 6.658 5.971 1.00 0.00 H new ATOM 404 N GLU A 51 -11.897 4.890 10.846 1.00 0.00 N ATOM 405 CA GLU A 51 -12.694 5.358 12.014 1.00 0.00 C ATOM 406 C GLU A 51 -12.493 4.395 13.186 1.00 0.00 C ATOM 407 O GLU A 51 -12.568 4.779 14.336 1.00 0.00 O ATOM 408 CB GLU A 51 -14.176 5.400 11.635 1.00 0.00 C ATOM 409 CG GLU A 51 -14.391 6.443 10.537 1.00 0.00 C ATOM 410 CD GLU A 51 -15.882 6.539 10.209 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.634 5.720 10.712 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.248 7.429 9.459 1.00 0.00 O ATOM 0 H GLU A 51 -12.443 4.622 10.027 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.365 6.356 12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.502 4.419 11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.779 5.646 12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.017 7.413 10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.828 6.168 9.645 1.00 0.00 H new ATOM 413 N ALA A 52 -12.239 3.147 12.903 1.00 0.00 N ATOM 414 CA ALA A 52 -12.032 2.161 14.000 1.00 0.00 C ATOM 415 C ALA A 52 -10.800 2.558 14.815 1.00 0.00 C ATOM 416 O ALA A 52 -10.704 2.273 15.993 1.00 0.00 O ATOM 417 CB ALA A 52 -11.822 0.770 13.402 1.00 0.00 C ATOM 0 H ALA A 52 -12.166 2.768 11.959 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.908 2.148 14.648 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.670 0.048 14.204 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.700 0.488 12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.946 0.781 12.754 1.00 0.00 H new ATOM 418 N LYS A 53 -9.856 3.213 14.199 1.00 0.00 N ATOM 419 CA LYS A 53 -8.631 3.628 14.938 1.00 0.00 C ATOM 420 C LYS A 53 -9.016 4.602 16.053 1.00 0.00 C ATOM 421 O LYS A 53 -8.409 4.629 17.105 1.00 0.00 O ATOM 422 CB LYS A 53 -7.660 4.313 13.974 1.00 0.00 C ATOM 423 CG LYS A 53 -7.156 3.296 12.948 1.00 0.00 C ATOM 424 CD LYS A 53 -6.086 3.947 12.068 1.00 0.00 C ATOM 425 CE LYS A 53 -5.680 2.978 10.957 1.00 0.00 C ATOM 426 NZ LYS A 53 -4.429 2.269 11.349 1.00 0.00 N ATOM 0 H LYS A 53 -9.880 3.479 13.215 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.152 2.750 15.371 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.157 5.140 13.468 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.820 4.735 14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.743 2.425 13.456 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.984 2.944 12.332 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.468 4.872 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.217 4.212 12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.478 2.258 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.526 3.521 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.152 1.610 10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.669 2.963 11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.592 1.739 12.229 1.00 0.00 H new ATOM 427 N SER A 54 -10.021 5.405 15.830 1.00 0.00 N ATOM 428 CA SER A 54 -10.445 6.377 16.877 1.00 0.00 C ATOM 429 C SER A 54 -10.890 5.617 18.128 1.00 0.00 C ATOM 430 O SER A 54 -10.808 6.119 19.232 1.00 0.00 O ATOM 431 CB SER A 54 -11.609 7.218 16.349 1.00 0.00 C ATOM 432 OG SER A 54 -12.753 6.393 16.189 1.00 0.00 O ATOM 0 H SER A 54 -10.566 5.430 14.968 1.00 0.00 H new ATOM 0 HA SER A 54 -9.609 7.030 17.128 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.828 8.031 17.041 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.340 7.674 15.396 1.00 0.00 H new ATOM 0 HG SER A 54 -12.659 5.858 15.373 1.00 0.00 H new ATOM 433 N GLN A 55 -11.361 4.412 17.965 1.00 0.00 N ATOM 434 CA GLN A 55 -11.811 3.622 19.145 1.00 0.00 C ATOM 435 C GLN A 55 -11.310 2.182 19.018 1.00 0.00 C ATOM 436 O GLN A 55 -11.888 1.441 18.241 1.00 0.00 O ATOM 437 CB GLN A 55 -13.340 3.625 19.208 1.00 0.00 C ATOM 438 CG GLN A 55 -13.800 2.942 20.497 1.00 0.00 C ATOM 439 CD GLN A 55 -15.328 2.977 20.577 1.00 0.00 C ATOM 440 OE1 GLN A 55 -15.975 3.620 19.774 1.00 0.00 O ATOM 441 NE2 GLN A 55 -15.936 2.309 21.518 1.00 0.00 N ATOM 442 OXT GLN A 55 -10.355 1.846 19.699 1.00 0.00 O ATOM 0 H GLN A 55 -11.454 3.940 17.066 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.408 4.068 20.054 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.714 4.648 19.173 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.751 3.106 18.342 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.448 1.911 20.520 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.368 3.446 21.362 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.393 1.769 22.192 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.954 2.326 21.580 1.00 0.00 H new TER 443 GLN A 55