USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 524 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0.0886 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 176:sc= 1.03 USER MOD Single : A 30 GLN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -2.51 K(o=-2.5,f=-10!) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.364 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -161:sc= 0.581 USER MOD Single : A 70 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0477) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.978 29.608 -11.424 1.00 0.00 N ATOM 2 CA MET A 1 -16.464 29.556 -11.497 1.00 0.00 C ATOM 3 C MET A 1 -17.005 28.343 -10.728 1.00 0.00 C ATOM 4 O MET A 1 -17.587 28.521 -9.658 1.00 0.00 O ATOM 5 CB MET A 1 -16.971 29.667 -12.952 1.00 0.00 C ATOM 6 CG MET A 1 -18.413 30.181 -13.055 1.00 0.00 C ATOM 7 SD MET A 1 -18.861 30.658 -14.752 1.00 0.00 S ATOM 8 CE MET A 1 -20.544 29.995 -14.861 1.00 0.00 C ATOM 0 H1 MET A 1 -14.633 30.436 -11.951 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.682 29.682 -10.430 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.579 28.742 -11.840 1.00 0.00 H new ATOM 0 HA MET A 1 -16.871 30.433 -10.994 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.314 30.335 -13.508 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.907 28.688 -13.427 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.097 29.408 -12.706 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.538 31.039 -12.395 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.956 30.209 -15.847 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.521 28.917 -14.703 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.168 30.460 -14.098 1.00 0.00 H new ATOM 16 N CYS A 2 -16.789 27.110 -11.210 1.00 0.00 N ATOM 17 CA CYS A 2 -17.020 25.874 -10.444 1.00 0.00 C ATOM 18 C CYS A 2 -15.896 25.599 -9.413 1.00 0.00 C ATOM 19 O CYS A 2 -14.792 26.147 -9.523 1.00 0.00 O ATOM 20 CB CYS A 2 -17.185 24.716 -11.446 1.00 0.00 C ATOM 21 SG CYS A 2 -15.692 24.490 -12.457 1.00 0.00 S ATOM 0 H CYS A 2 -16.445 26.940 -12.155 1.00 0.00 H new ATOM 0 HA CYS A 2 -17.929 25.979 -9.851 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -17.402 23.795 -10.906 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -18.038 24.914 -12.095 1.00 0.00 H new ATOM 0 HG CYS A 2 -15.874 23.504 -13.285 1.00 0.00 H new ATOM 26 N ARG A 3 -16.166 24.740 -8.413 1.00 0.00 N ATOM 27 CA ARG A 3 -15.216 24.355 -7.339 1.00 0.00 C ATOM 28 C ARG A 3 -15.508 22.958 -6.746 1.00 0.00 C ATOM 29 O ARG A 3 -15.510 22.763 -5.528 1.00 0.00 O ATOM 30 CB ARG A 3 -15.184 25.463 -6.258 1.00 0.00 C ATOM 31 CG ARG A 3 -13.842 25.518 -5.505 1.00 0.00 C ATOM 32 CD ARG A 3 -12.792 26.320 -6.287 1.00 0.00 C ATOM 33 NE ARG A 3 -11.505 26.381 -5.564 1.00 0.00 N ATOM 34 CZ ARG A 3 -10.589 27.331 -5.651 1.00 0.00 C ATOM 35 NH1 ARG A 3 -10.727 28.363 -6.438 1.00 0.00 N ATOM 36 NH2 ARG A 3 -9.500 27.269 -4.940 1.00 0.00 N ATOM 0 H ARG A 3 -17.072 24.280 -8.322 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.223 24.268 -7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.373 26.429 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.990 25.292 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.992 25.971 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.476 24.505 -5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.639 25.864 -7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.161 27.331 -6.461 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.301 25.608 -4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.564 28.457 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.998 29.075 -6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.347 26.483 -4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.800 28.007 -5.014 1.00 0.00 H new ATOM 47 N LYS A 4 -15.808 21.982 -7.613 1.00 0.00 N ATOM 48 CA LYS A 4 -16.324 20.639 -7.271 1.00 0.00 C ATOM 49 C LYS A 4 -15.402 19.544 -7.825 1.00 0.00 C ATOM 50 O LYS A 4 -15.597 19.065 -8.946 1.00 0.00 O ATOM 51 CB LYS A 4 -17.774 20.502 -7.781 1.00 0.00 C ATOM 52 CG LYS A 4 -18.768 21.360 -6.980 1.00 0.00 C ATOM 53 CD LYS A 4 -20.080 21.564 -7.749 1.00 0.00 C ATOM 54 CE LYS A 4 -21.104 22.306 -6.877 1.00 0.00 C ATOM 55 NZ LYS A 4 -21.871 23.320 -7.648 1.00 0.00 N ATOM 0 H LYS A 4 -15.694 22.107 -8.619 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.336 20.515 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.814 20.791 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.077 19.456 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.976 20.880 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.319 22.329 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.890 22.131 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.484 20.598 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.795 21.586 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.588 22.795 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.549 23.795 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.216 24.023 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -22.385 22.852 -8.421 1.00 0.00 H new ATOM 65 N LYS A 5 -14.363 19.181 -7.057 1.00 0.00 N ATOM 66 CA LYS A 5 -13.422 18.091 -7.395 1.00 0.00 C ATOM 67 C LYS A 5 -14.144 16.725 -7.536 1.00 0.00 C ATOM 68 O LYS A 5 -15.190 16.537 -6.900 1.00 0.00 O ATOM 69 CB LYS A 5 -12.247 18.058 -6.385 1.00 0.00 C ATOM 70 CG LYS A 5 -12.594 17.598 -4.952 1.00 0.00 C ATOM 71 CD LYS A 5 -12.586 18.698 -3.875 1.00 0.00 C ATOM 72 CE LYS A 5 -11.254 18.813 -3.114 1.00 0.00 C ATOM 73 NZ LYS A 5 -10.291 19.756 -3.742 1.00 0.00 N ATOM 0 H LYS A 5 -14.146 19.639 -6.172 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.995 18.296 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.474 17.398 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.815 19.057 -6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.582 17.138 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.886 16.823 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.809 19.656 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.386 18.500 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.455 19.138 -2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.795 17.826 -3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.417 19.785 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.071 19.436 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.711 20.707 -3.780 1.00 0.00 H new ATOM 83 N PRO A 6 -13.620 15.766 -8.327 1.00 0.00 N ATOM 84 CA PRO A 6 -14.145 14.399 -8.377 1.00 0.00 C ATOM 85 C PRO A 6 -13.850 13.621 -7.075 1.00 0.00 C ATOM 86 O PRO A 6 -13.256 14.153 -6.135 1.00 0.00 O ATOM 87 CB PRO A 6 -13.513 13.774 -9.630 1.00 0.00 C ATOM 88 CG PRO A 6 -12.216 14.547 -9.850 1.00 0.00 C ATOM 89 CD PRO A 6 -12.452 15.904 -9.189 1.00 0.00 C ATOM 0 HA PRO A 6 -15.232 14.373 -8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.319 12.711 -9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.175 13.862 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.367 14.031 -9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.997 14.657 -10.912 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.580 16.207 -8.610 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.618 16.675 -9.941 1.00 0.00 H new ATOM 94 N ASP A 7 -14.242 12.343 -7.008 1.00 0.00 N ATOM 95 CA ASP A 7 -14.057 11.431 -5.857 1.00 0.00 C ATOM 96 C ASP A 7 -12.582 10.987 -5.621 1.00 0.00 C ATOM 97 O ASP A 7 -12.296 9.851 -5.237 1.00 0.00 O ATOM 98 CB ASP A 7 -15.027 10.239 -6.004 1.00 0.00 C ATOM 99 CG ASP A 7 -16.502 10.684 -6.034 1.00 0.00 C ATOM 100 OD1 ASP A 7 -16.984 11.265 -5.031 1.00 0.00 O ATOM 101 OD2 ASP A 7 -17.188 10.445 -7.058 1.00 0.00 O ATOM 0 H ASP A 7 -14.719 11.889 -7.787 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.300 11.985 -4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.795 9.696 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.876 9.546 -5.176 1.00 0.00 H new ATOM 105 N THR A 8 -11.622 11.886 -5.869 1.00 0.00 N ATOM 106 CA THR A 8 -10.167 11.653 -5.808 1.00 0.00 C ATOM 107 C THR A 8 -9.605 11.631 -4.379 1.00 0.00 C ATOM 108 O THR A 8 -8.732 10.820 -4.063 1.00 0.00 O ATOM 109 CB THR A 8 -9.437 12.689 -6.685 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.069 12.365 -6.782 1.00 0.00 O ATOM 111 CG2 THR A 8 -9.554 14.138 -6.201 1.00 0.00 C ATOM 0 H THR A 8 -11.846 12.846 -6.131 1.00 0.00 H new ATOM 0 HA THR A 8 -9.987 10.652 -6.201 1.00 0.00 H new ATOM 0 HB THR A 8 -9.936 12.637 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.615 13.028 -7.342 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.009 14.794 -6.880 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.604 14.430 -6.178 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.132 14.222 -5.199 1.00 0.00 H new ATOM 119 N MET A 9 -10.154 12.451 -3.472 1.00 0.00 N ATOM 120 CA MET A 9 -9.799 12.440 -2.045 1.00 0.00 C ATOM 121 C MET A 9 -10.139 11.093 -1.397 1.00 0.00 C ATOM 122 O MET A 9 -9.358 10.556 -0.609 1.00 0.00 O ATOM 123 CB MET A 9 -10.528 13.600 -1.346 1.00 0.00 C ATOM 124 CG MET A 9 -10.264 13.688 0.164 1.00 0.00 C ATOM 125 SD MET A 9 -10.069 15.392 0.760 1.00 0.00 S ATOM 126 CE MET A 9 -10.789 15.255 2.418 1.00 0.00 C ATOM 0 H MET A 9 -10.862 13.146 -3.709 1.00 0.00 H new ATOM 0 HA MET A 9 -8.723 12.574 -1.938 1.00 0.00 H new ATOM 0 HB2 MET A 9 -10.226 14.538 -1.812 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.600 13.493 -1.511 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.088 13.216 0.698 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.364 13.122 0.402 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.744 16.224 2.916 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.828 14.936 2.338 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.229 14.522 2.999 1.00 0.00 H new ATOM 134 N ILE A 10 -11.281 10.510 -1.780 1.00 0.00 N ATOM 135 CA ILE A 10 -11.681 9.176 -1.332 1.00 0.00 C ATOM 136 C ILE A 10 -10.854 8.092 -2.021 1.00 0.00 C ATOM 137 O ILE A 10 -10.576 7.103 -1.359 1.00 0.00 O ATOM 138 CB ILE A 10 -13.202 8.942 -1.475 1.00 0.00 C ATOM 139 CG1 ILE A 10 -14.031 10.093 -0.855 1.00 0.00 C ATOM 140 CG2 ILE A 10 -13.619 7.608 -0.821 1.00 0.00 C ATOM 141 CD1 ILE A 10 -13.649 10.498 0.580 1.00 0.00 C ATOM 0 H ILE A 10 -11.952 10.952 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.468 9.112 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.410 8.907 -2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.937 10.969 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.082 9.803 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.694 7.467 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.092 6.785 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.366 7.628 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.294 11.312 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.772 9.643 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.610 10.827 0.601 1.00 0.00 H new ATOM 152 N LEU A 11 -10.362 8.273 -3.259 1.00 0.00 N ATOM 153 CA LEU A 11 -9.470 7.304 -3.928 1.00 0.00 C ATOM 154 C LEU A 11 -8.284 6.883 -3.026 1.00 0.00 C ATOM 155 O LEU A 11 -7.969 5.702 -2.919 1.00 0.00 O ATOM 156 CB LEU A 11 -8.994 7.836 -5.298 1.00 0.00 C ATOM 157 CG LEU A 11 -8.856 6.783 -6.423 1.00 0.00 C ATOM 158 CD1 LEU A 11 -8.087 7.392 -7.598 1.00 0.00 C ATOM 159 CD2 LEU A 11 -8.130 5.492 -6.044 1.00 0.00 C ATOM 0 H LEU A 11 -10.570 9.095 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.053 6.401 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.693 8.604 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.028 8.322 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.884 6.512 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.989 6.651 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.628 8.260 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.096 7.699 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.092 4.829 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.115 5.726 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.664 4.999 -5.231 1.00 0.00 H new ATOM 170 N THR A 12 -7.698 7.825 -2.281 1.00 0.00 N ATOM 171 CA THR A 12 -6.683 7.557 -1.240 1.00 0.00 C ATOM 172 C THR A 12 -7.194 6.691 -0.070 1.00 0.00 C ATOM 173 O THR A 12 -6.479 5.790 0.376 1.00 0.00 O ATOM 174 CB THR A 12 -6.084 8.900 -0.768 1.00 0.00 C ATOM 175 OG1 THR A 12 -5.017 9.241 -1.632 1.00 0.00 O ATOM 176 CG2 THR A 12 -5.553 8.944 0.666 1.00 0.00 C ATOM 0 H THR A 12 -7.915 8.817 -2.381 1.00 0.00 H new ATOM 0 HA THR A 12 -5.898 6.947 -1.688 1.00 0.00 H new ATOM 0 HB THR A 12 -6.918 9.601 -0.793 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.625 10.093 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.159 9.938 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.362 8.719 1.361 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.759 8.207 0.783 1.00 0.00 H new ATOM 184 N GLN A 13 -8.427 6.900 0.414 1.00 0.00 N ATOM 185 CA GLN A 13 -9.065 6.049 1.434 1.00 0.00 C ATOM 186 C GLN A 13 -9.504 4.674 0.905 1.00 0.00 C ATOM 187 O GLN A 13 -9.314 3.677 1.605 1.00 0.00 O ATOM 188 CB GLN A 13 -10.293 6.737 2.048 1.00 0.00 C ATOM 189 CG GLN A 13 -9.951 7.726 3.173 1.00 0.00 C ATOM 190 CD GLN A 13 -11.197 8.249 3.900 1.00 0.00 C ATOM 191 OE1 GLN A 13 -12.337 7.904 3.610 1.00 0.00 O ATOM 192 NE2 GLN A 13 -11.039 9.096 4.895 1.00 0.00 N ATOM 0 H GLN A 13 -9.017 7.673 0.106 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.293 5.894 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.832 7.267 1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.967 5.975 2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.293 7.238 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.399 8.568 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.103 9.402 5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.853 9.446 5.401 1.00 0.00 H new ATOM 199 N ILE A 14 -10.062 4.565 -0.310 1.00 0.00 N ATOM 200 CA ILE A 14 -10.307 3.241 -0.899 1.00 0.00 C ATOM 201 C ILE A 14 -8.978 2.523 -1.140 1.00 0.00 C ATOM 202 O ILE A 14 -8.900 1.352 -0.808 1.00 0.00 O ATOM 203 CB ILE A 14 -11.290 3.177 -2.105 1.00 0.00 C ATOM 204 CG1 ILE A 14 -11.086 1.889 -2.936 1.00 0.00 C ATOM 205 CG2 ILE A 14 -11.205 4.400 -3.007 1.00 0.00 C ATOM 206 CD1 ILE A 14 -12.040 1.680 -4.119 1.00 0.00 C ATOM 0 H ILE A 14 -10.345 5.354 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 14 -10.877 2.691 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.290 3.163 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.065 1.887 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.179 1.033 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.914 4.296 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -11.445 5.294 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.195 4.487 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.797 0.744 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -13.067 1.640 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.935 2.507 -4.821 1.00 0.00 H new ATOM 217 N GLU A 15 -7.907 3.175 -1.603 1.00 0.00 N ATOM 218 CA GLU A 15 -6.593 2.525 -1.717 1.00 0.00 C ATOM 219 C GLU A 15 -6.062 1.945 -0.389 1.00 0.00 C ATOM 220 O GLU A 15 -5.336 0.952 -0.410 1.00 0.00 O ATOM 221 CB GLU A 15 -5.562 3.466 -2.356 1.00 0.00 C ATOM 222 CG GLU A 15 -5.565 3.398 -3.891 1.00 0.00 C ATOM 223 CD GLU A 15 -4.164 3.660 -4.476 1.00 0.00 C ATOM 224 OE1 GLU A 15 -3.367 2.695 -4.592 1.00 0.00 O ATOM 225 OE2 GLU A 15 -3.857 4.819 -4.849 1.00 0.00 O ATOM 0 H GLU A 15 -7.921 4.149 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.747 1.669 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.767 4.489 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.568 3.213 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.915 2.417 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.267 4.132 -4.286 1.00 0.00 H new ATOM 230 N ALA A 16 -6.474 2.482 0.765 1.00 0.00 N ATOM 231 CA ALA A 16 -6.204 1.890 2.073 1.00 0.00 C ATOM 232 C ALA A 16 -6.989 0.580 2.326 1.00 0.00 C ATOM 233 O ALA A 16 -6.390 -0.425 2.725 1.00 0.00 O ATOM 234 CB ALA A 16 -6.495 2.948 3.144 1.00 0.00 C ATOM 0 H ALA A 16 -7.010 3.349 0.814 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.156 1.594 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.301 2.529 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.853 3.814 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.539 3.254 3.079 1.00 0.00 H new ATOM 240 N LYS A 17 -8.313 0.545 2.072 1.00 0.00 N ATOM 241 CA LYS A 17 -9.141 -0.673 2.250 1.00 0.00 C ATOM 242 C LYS A 17 -8.925 -1.720 1.151 1.00 0.00 C ATOM 243 O LYS A 17 -8.912 -2.919 1.424 1.00 0.00 O ATOM 244 CB LYS A 17 -10.638 -0.327 2.410 1.00 0.00 C ATOM 245 CG LYS A 17 -11.397 -0.095 1.088 1.00 0.00 C ATOM 246 CD LYS A 17 -12.884 0.229 1.281 1.00 0.00 C ATOM 247 CE LYS A 17 -13.723 -1.042 1.490 1.00 0.00 C ATOM 248 NZ LYS A 17 -14.067 -1.709 0.203 1.00 0.00 N ATOM 0 H LYS A 17 -8.839 1.353 1.740 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.799 -1.131 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.126 -1.135 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.725 0.570 3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.923 0.723 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.306 -0.985 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.004 0.889 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.254 0.770 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.172 -1.739 2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.640 -0.786 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.633 -2.561 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.615 -1.055 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.193 -1.978 -0.293 1.00 0.00 H new ATOM 258 N GLU A 18 -8.721 -1.273 -0.088 1.00 0.00 N ATOM 259 CA GLU A 18 -8.355 -2.111 -1.229 1.00 0.00 C ATOM 260 C GLU A 18 -6.994 -2.736 -1.025 1.00 0.00 C ATOM 261 O GLU A 18 -6.793 -3.832 -1.518 1.00 0.00 O ATOM 262 CB GLU A 18 -8.314 -1.346 -2.566 1.00 0.00 C ATOM 263 CG GLU A 18 -9.618 -1.431 -3.372 1.00 0.00 C ATOM 264 CD GLU A 18 -9.440 -2.150 -4.726 1.00 0.00 C ATOM 265 OE1 GLU A 18 -8.599 -1.712 -5.550 1.00 0.00 O ATOM 266 OE2 GLU A 18 -10.166 -3.138 -4.993 1.00 0.00 O ATOM 0 H GLU A 18 -8.809 -0.287 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.137 -2.869 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.089 -0.298 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.497 -1.738 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.370 -1.956 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.997 -0.424 -3.548 1.00 0.00 H new ATOM 271 N ALA A 19 -6.070 -2.113 -0.292 1.00 0.00 N ATOM 272 CA ALA A 19 -4.866 -2.815 0.110 1.00 0.00 C ATOM 273 C ALA A 19 -5.184 -3.958 1.080 1.00 0.00 C ATOM 274 O ALA A 19 -4.645 -5.039 0.896 1.00 0.00 O ATOM 275 CB ALA A 19 -3.869 -1.830 0.684 1.00 0.00 C ATOM 0 H ALA A 19 -6.135 -1.146 0.026 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.414 -3.278 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.966 -2.360 0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.618 -1.085 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.305 -1.335 1.552 1.00 0.00 H new ATOM 281 N CYS A 20 -6.097 -3.804 2.047 1.00 0.00 N ATOM 282 CA CYS A 20 -6.512 -4.945 2.868 1.00 0.00 C ATOM 283 C CYS A 20 -7.080 -6.097 2.017 1.00 0.00 C ATOM 284 O CYS A 20 -6.618 -7.231 2.132 1.00 0.00 O ATOM 285 CB CYS A 20 -7.467 -4.498 3.980 1.00 0.00 C ATOM 286 SG CYS A 20 -7.659 -5.853 5.171 1.00 0.00 S ATOM 0 H CYS A 20 -6.553 -2.921 2.276 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.624 -5.349 3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.076 -3.611 4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.435 -4.227 3.559 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.466 -5.485 6.121 1.00 0.00 H new ATOM 291 N ASP A 21 -8.000 -5.801 1.094 1.00 0.00 N ATOM 292 CA ASP A 21 -8.515 -6.778 0.125 1.00 0.00 C ATOM 293 C ASP A 21 -7.420 -7.370 -0.788 1.00 0.00 C ATOM 294 O ASP A 21 -7.355 -8.585 -0.958 1.00 0.00 O ATOM 295 CB ASP A 21 -9.628 -6.121 -0.702 1.00 0.00 C ATOM 296 CG ASP A 21 -10.159 -7.052 -1.803 1.00 0.00 C ATOM 297 OD1 ASP A 21 -10.765 -8.102 -1.473 1.00 0.00 O ATOM 298 OD2 ASP A 21 -9.995 -6.729 -3.006 1.00 0.00 O ATOM 0 H ASP A 21 -8.412 -4.873 0.996 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.913 -7.623 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.448 -5.836 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.249 -5.205 -1.155 1.00 0.00 H new ATOM 302 N TRP A 22 -6.542 -6.536 -1.348 1.00 0.00 N ATOM 303 CA TRP A 22 -5.484 -6.919 -2.284 1.00 0.00 C ATOM 304 C TRP A 22 -4.405 -7.756 -1.598 1.00 0.00 C ATOM 305 O TRP A 22 -4.134 -8.859 -2.050 1.00 0.00 O ATOM 306 CB TRP A 22 -4.876 -5.669 -2.936 1.00 0.00 C ATOM 307 CG TRP A 22 -3.916 -5.912 -4.059 1.00 0.00 C ATOM 308 CD1 TRP A 22 -4.226 -5.804 -5.374 1.00 0.00 C ATOM 309 CD2 TRP A 22 -2.521 -6.335 -4.021 1.00 0.00 C ATOM 310 NE1 TRP A 22 -3.130 -6.132 -6.140 1.00 0.00 N ATOM 311 CE2 TRP A 22 -2.065 -6.529 -5.359 1.00 0.00 C ATOM 312 CE3 TRP A 22 -1.585 -6.612 -2.994 1.00 0.00 C ATOM 313 CZ2 TRP A 22 -0.803 -7.036 -5.662 1.00 0.00 C ATOM 314 CZ3 TRP A 22 -0.318 -7.137 -3.283 1.00 0.00 C ATOM 315 CH2 TRP A 22 0.071 -7.371 -4.612 1.00 0.00 C ATOM 0 H TRP A 22 -6.549 -5.535 -1.154 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.929 -7.539 -3.063 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -5.689 -5.047 -3.309 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -4.363 -5.095 -2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.188 -5.505 -5.763 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.108 -6.087 -7.159 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.854 -6.414 -1.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.500 -7.170 -6.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.365 -7.363 -2.477 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.036 -7.806 -4.827 1.00 0.00 H new ATOM 325 N LEU A 23 -3.833 -7.300 -0.477 1.00 0.00 N ATOM 326 CA LEU A 23 -2.847 -8.055 0.302 1.00 0.00 C ATOM 327 C LEU A 23 -3.422 -9.422 0.721 1.00 0.00 C ATOM 328 O LEU A 23 -2.745 -10.439 0.556 1.00 0.00 O ATOM 329 CB LEU A 23 -2.391 -7.258 1.547 1.00 0.00 C ATOM 330 CG LEU A 23 -1.266 -6.203 1.448 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.070 -6.670 0.631 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.656 -4.836 0.909 1.00 0.00 C ATOM 0 H LEU A 23 -4.046 -6.384 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.975 -8.221 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.271 -6.750 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.081 -7.986 2.296 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.013 -6.088 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.682 -5.881 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.357 -7.562 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.391 -6.902 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.779 -4.189 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.051 -4.942 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.418 -4.395 1.552 1.00 0.00 H new ATOM 343 N ARG A 24 -4.678 -9.471 1.190 1.00 0.00 N ATOM 344 CA ARG A 24 -5.390 -10.715 1.542 1.00 0.00 C ATOM 345 C ARG A 24 -5.580 -11.654 0.341 1.00 0.00 C ATOM 346 O ARG A 24 -5.254 -12.837 0.435 1.00 0.00 O ATOM 347 CB ARG A 24 -6.735 -10.344 2.192 1.00 0.00 C ATOM 348 CG ARG A 24 -7.472 -11.533 2.822 1.00 0.00 C ATOM 349 CD ARG A 24 -8.833 -11.083 3.370 1.00 0.00 C ATOM 350 NE ARG A 24 -9.324 -12.005 4.412 1.00 0.00 N ATOM 351 CZ ARG A 24 -10.530 -12.027 4.950 1.00 0.00 C ATOM 352 NH1 ARG A 24 -11.501 -11.266 4.528 1.00 0.00 N ATOM 353 NH2 ARG A 24 -10.788 -12.827 5.945 1.00 0.00 N ATOM 0 H ARG A 24 -5.240 -8.633 1.339 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.780 -11.275 2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.560 -9.590 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.378 -9.889 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.613 -12.318 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.871 -11.958 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.747 -10.078 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.556 -11.033 2.556 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.661 -12.700 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.344 -10.621 3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.418 -11.315 4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.058 -13.438 6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.720 -12.842 6.359 1.00 0.00 H new ATOM 364 N ALA A 25 -6.071 -11.135 -0.788 1.00 0.00 N ATOM 365 CA ALA A 25 -6.295 -11.886 -2.027 1.00 0.00 C ATOM 366 C ALA A 25 -4.986 -12.342 -2.715 1.00 0.00 C ATOM 367 O ALA A 25 -4.957 -13.395 -3.357 1.00 0.00 O ATOM 368 CB ALA A 25 -7.155 -11.029 -2.969 1.00 0.00 C ATOM 0 H ALA A 25 -6.331 -10.152 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.817 -12.809 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.331 -11.573 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.109 -10.808 -2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.635 -10.096 -3.189 1.00 0.00 H new ATOM 374 N THR A 26 -3.902 -11.576 -2.559 1.00 0.00 N ATOM 375 CA THR A 26 -2.552 -11.870 -3.063 1.00 0.00 C ATOM 376 C THR A 26 -1.868 -12.966 -2.237 1.00 0.00 C ATOM 377 O THR A 26 -1.443 -13.972 -2.810 1.00 0.00 O ATOM 378 CB THR A 26 -1.698 -10.583 -3.082 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.167 -9.740 -4.110 1.00 0.00 O ATOM 380 CG2 THR A 26 -0.212 -10.802 -3.371 1.00 0.00 C ATOM 0 H THR A 26 -3.941 -10.691 -2.054 1.00 0.00 H new ATOM 0 HA THR A 26 -2.647 -12.243 -4.083 1.00 0.00 H new ATOM 0 HB THR A 26 -1.793 -10.164 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.679 -8.891 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.305 -9.843 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.216 -11.451 -2.606 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.097 -11.269 -4.349 1.00 0.00 H new ATOM 388 N GLY A 27 -1.759 -12.806 -0.908 1.00 0.00 N ATOM 389 CA GLY A 27 -1.104 -13.801 -0.040 1.00 0.00 C ATOM 390 C GLY A 27 -0.460 -13.298 1.263 1.00 0.00 C ATOM 391 O GLY A 27 0.387 -14.003 1.817 1.00 0.00 O ATOM 0 H GLY A 27 -2.118 -11.993 -0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.844 -14.557 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.332 -14.300 -0.625 1.00 0.00 H new ATOM 395 N PHE A 28 -0.808 -12.101 1.752 1.00 0.00 N ATOM 396 CA PHE A 28 -0.110 -11.405 2.845 1.00 0.00 C ATOM 397 C PHE A 28 -1.062 -10.690 3.822 1.00 0.00 C ATOM 398 O PHE A 28 -1.038 -9.459 3.925 1.00 0.00 O ATOM 399 CB PHE A 28 0.901 -10.409 2.274 1.00 0.00 C ATOM 400 CG PHE A 28 1.899 -10.998 1.310 1.00 0.00 C ATOM 401 CD1 PHE A 28 3.020 -11.687 1.800 1.00 0.00 C ATOM 402 CD2 PHE A 28 1.679 -10.889 -0.074 1.00 0.00 C ATOM 403 CE1 PHE A 28 3.888 -12.333 0.908 1.00 0.00 C ATOM 404 CE2 PHE A 28 2.544 -11.534 -0.969 1.00 0.00 C ATOM 405 CZ PHE A 28 3.614 -12.287 -0.468 1.00 0.00 C ATOM 0 H PHE A 28 -1.603 -11.575 1.390 1.00 0.00 H new ATOM 0 HA PHE A 28 0.406 -12.173 3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.357 -9.611 1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.444 -9.950 3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.213 -11.719 2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.847 -10.310 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.757 -12.859 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.387 -11.451 -2.034 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.239 -12.842 -1.152 1.00 0.00 H new ATOM 414 N PRO A 29 -1.887 -11.420 4.594 1.00 0.00 N ATOM 415 CA PRO A 29 -2.809 -10.798 5.546 1.00 0.00 C ATOM 416 C PRO A 29 -2.102 -9.972 6.648 1.00 0.00 C ATOM 417 O PRO A 29 -2.726 -9.116 7.275 1.00 0.00 O ATOM 418 CB PRO A 29 -3.669 -11.953 6.074 1.00 0.00 C ATOM 419 CG PRO A 29 -2.818 -13.208 5.878 1.00 0.00 C ATOM 420 CD PRO A 29 -1.908 -12.874 4.697 1.00 0.00 C ATOM 0 HA PRO A 29 -3.428 -10.039 5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.921 -11.808 7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.609 -12.026 5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.239 -13.438 6.772 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.438 -14.079 5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.904 -13.267 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.284 -13.323 3.778 1.00 0.00 H new ATOM 425 N GLN A 30 -0.789 -10.163 6.845 1.00 0.00 N ATOM 426 CA GLN A 30 0.072 -9.364 7.727 1.00 0.00 C ATOM 427 C GLN A 30 0.370 -7.945 7.202 1.00 0.00 C ATOM 428 O GLN A 30 0.365 -7.004 7.993 1.00 0.00 O ATOM 429 CB GLN A 30 1.383 -10.146 7.941 1.00 0.00 C ATOM 430 CG GLN A 30 2.449 -9.436 8.792 1.00 0.00 C ATOM 431 CD GLN A 30 1.991 -9.091 10.210 1.00 0.00 C ATOM 432 OE1 GLN A 30 2.145 -9.864 11.145 1.00 0.00 O ATOM 433 NE2 GLN A 30 1.417 -7.928 10.433 1.00 0.00 N ATOM 0 H GLN A 30 -0.278 -10.910 6.374 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.463 -9.211 8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.144 -11.099 8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.814 -10.372 6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.332 -10.072 8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.750 -8.519 8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.281 -7.271 9.665 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.109 -7.684 11.374 1.00 0.00 H new ATOM 440 N TYR A 31 0.646 -7.746 5.909 1.00 0.00 N ATOM 441 CA TYR A 31 1.015 -6.418 5.382 1.00 0.00 C ATOM 442 C TYR A 31 -0.128 -5.400 5.494 1.00 0.00 C ATOM 443 O TYR A 31 0.096 -4.245 5.863 1.00 0.00 O ATOM 444 CB TYR A 31 1.453 -6.547 3.921 1.00 0.00 C ATOM 445 CG TYR A 31 2.849 -7.089 3.657 1.00 0.00 C ATOM 446 CD1 TYR A 31 3.959 -6.765 4.466 1.00 0.00 C ATOM 447 CD2 TYR A 31 3.034 -7.920 2.539 1.00 0.00 C ATOM 448 CE1 TYR A 31 5.226 -7.316 4.180 1.00 0.00 C ATOM 449 CE2 TYR A 31 4.282 -8.503 2.273 1.00 0.00 C ATOM 450 CZ TYR A 31 5.387 -8.201 3.093 1.00 0.00 C ATOM 451 OH TYR A 31 6.603 -8.748 2.828 1.00 0.00 O ATOM 0 H TYR A 31 0.622 -8.484 5.205 1.00 0.00 H new ATOM 0 HA TYR A 31 1.838 -6.045 5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.738 -7.192 3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.380 -5.563 3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.839 -6.095 5.304 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.204 -8.113 1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.076 -7.059 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.395 -9.182 1.441 1.00 0.00 H new ATOM 0 HH TYR A 31 6.534 -9.334 2.046 1.00 0.00 H new ATOM 460 N ALA A 32 -1.364 -5.850 5.261 1.00 0.00 N ATOM 461 CA ALA A 32 -2.563 -5.075 5.557 1.00 0.00 C ATOM 462 C ALA A 32 -2.651 -4.702 7.047 1.00 0.00 C ATOM 463 O ALA A 32 -2.939 -3.557 7.388 1.00 0.00 O ATOM 464 CB ALA A 32 -3.774 -5.910 5.146 1.00 0.00 C ATOM 0 H ALA A 32 -1.558 -6.767 4.860 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.532 -4.138 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.688 -5.354 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.720 -6.129 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.780 -6.844 5.708 1.00 0.00 H new ATOM 470 N GLN A 33 -2.358 -5.654 7.938 1.00 0.00 N ATOM 471 CA GLN A 33 -2.433 -5.462 9.387 1.00 0.00 C ATOM 472 C GLN A 33 -1.357 -4.510 9.928 1.00 0.00 C ATOM 473 O GLN A 33 -1.640 -3.704 10.808 1.00 0.00 O ATOM 474 CB GLN A 33 -2.361 -6.830 10.076 1.00 0.00 C ATOM 475 CG GLN A 33 -2.971 -6.807 11.488 1.00 0.00 C ATOM 476 CD GLN A 33 -4.047 -7.881 11.640 1.00 0.00 C ATOM 477 OE1 GLN A 33 -3.827 -8.952 12.191 1.00 0.00 O ATOM 478 NE2 GLN A 33 -5.243 -7.651 11.135 1.00 0.00 N ATOM 0 H GLN A 33 -2.058 -6.591 7.668 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.385 -4.982 9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.885 -7.568 9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.320 -7.149 10.138 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.187 -6.966 12.229 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.402 -5.825 11.685 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.440 -6.763 10.673 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.972 -8.361 11.206 1.00 0.00 H new ATOM 485 N LEU A 34 -0.143 -4.544 9.369 1.00 0.00 N ATOM 486 CA LEU A 34 0.935 -3.591 9.661 1.00 0.00 C ATOM 487 C LEU A 34 0.555 -2.142 9.310 1.00 0.00 C ATOM 488 O LEU A 34 0.959 -1.208 10.004 1.00 0.00 O ATOM 489 CB LEU A 34 2.188 -4.015 8.877 1.00 0.00 C ATOM 490 CG LEU A 34 3.142 -4.938 9.653 1.00 0.00 C ATOM 491 CD1 LEU A 34 3.923 -5.845 8.702 1.00 0.00 C ATOM 492 CD2 LEU A 34 4.150 -4.153 10.501 1.00 0.00 C ATOM 0 H LEU A 34 0.125 -5.251 8.685 1.00 0.00 H new ATOM 0 HA LEU A 34 1.126 -3.610 10.734 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.876 -4.521 7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.733 -3.120 8.576 1.00 0.00 H new ATOM 0 HG LEU A 34 2.512 -5.535 10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.590 -6.487 9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.227 -6.462 8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.510 -5.234 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.801 -4.849 11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.751 -3.515 9.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.615 -3.536 11.224 1.00 0.00 H new ATOM 503 N TYR A 35 -0.241 -1.943 8.255 1.00 0.00 N ATOM 504 CA TYR A 35 -0.823 -0.641 7.942 1.00 0.00 C ATOM 505 C TYR A 35 -2.033 -0.293 8.823 1.00 0.00 C ATOM 506 O TYR A 35 -2.092 0.805 9.371 1.00 0.00 O ATOM 507 CB TYR A 35 -1.200 -0.605 6.469 1.00 0.00 C ATOM 508 CG TYR A 35 -1.860 0.698 6.086 1.00 0.00 C ATOM 509 CD1 TYR A 35 -1.078 1.803 5.701 1.00 0.00 C ATOM 510 CD2 TYR A 35 -3.262 0.777 6.082 1.00 0.00 C ATOM 511 CE1 TYR A 35 -1.706 2.949 5.194 1.00 0.00 C ATOM 512 CE2 TYR A 35 -3.894 1.961 5.656 1.00 0.00 C ATOM 513 CZ TYR A 35 -3.116 3.031 5.162 1.00 0.00 C ATOM 514 OH TYR A 35 -3.706 4.148 4.660 1.00 0.00 O ATOM 0 H TYR A 35 -0.497 -2.680 7.598 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.070 0.118 8.156 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.306 -0.751 5.862 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.874 -1.432 6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.003 1.768 5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.853 -0.067 6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.110 3.772 4.827 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.969 2.050 5.707 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.128 4.543 3.974 1.00 0.00 H new ATOM 523 N GLU A 36 -2.978 -1.215 9.014 1.00 0.00 N ATOM 524 CA GLU A 36 -4.146 -1.019 9.888 1.00 0.00 C ATOM 525 C GLU A 36 -3.754 -0.766 11.363 1.00 0.00 C ATOM 526 O GLU A 36 -4.526 -0.162 12.109 1.00 0.00 O ATOM 527 CB GLU A 36 -5.088 -2.230 9.780 1.00 0.00 C ATOM 528 CG GLU A 36 -5.780 -2.378 8.412 1.00 0.00 C ATOM 529 CD GLU A 36 -7.109 -1.603 8.350 1.00 0.00 C ATOM 530 OE1 GLU A 36 -8.152 -2.149 8.788 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.127 -0.448 7.857 1.00 0.00 O ATOM 0 H GLU A 36 -2.958 -2.130 8.564 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.661 -0.122 9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.519 -3.137 9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.852 -2.151 10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.114 -2.018 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.966 -3.433 8.212 1.00 0.00 H new ATOM 536 N ASP A 37 -2.548 -1.184 11.775 1.00 0.00 N ATOM 537 CA ASP A 37 -1.938 -0.893 13.077 1.00 0.00 C ATOM 538 C ASP A 37 -1.795 0.619 13.340 1.00 0.00 C ATOM 539 O ASP A 37 -2.349 1.119 14.323 1.00 0.00 O ATOM 540 CB ASP A 37 -0.570 -1.593 13.167 1.00 0.00 C ATOM 541 CG ASP A 37 0.080 -1.418 14.546 1.00 0.00 C ATOM 542 OD1 ASP A 37 -0.348 -2.104 15.506 1.00 0.00 O ATOM 543 OD2 ASP A 37 1.028 -0.607 14.672 1.00 0.00 O ATOM 0 H ASP A 37 -1.947 -1.758 11.184 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.602 -1.278 13.850 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.693 -2.656 12.957 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.093 -1.191 12.401 1.00 0.00 H new ATOM 547 N PHE A 38 -1.081 1.346 12.462 1.00 0.00 N ATOM 548 CA PHE A 38 -0.812 2.791 12.601 1.00 0.00 C ATOM 549 C PHE A 38 -0.223 3.484 11.352 1.00 0.00 C ATOM 550 O PHE A 38 0.408 4.536 11.466 1.00 0.00 O ATOM 551 CB PHE A 38 0.032 3.067 13.870 1.00 0.00 C ATOM 552 CG PHE A 38 -0.720 3.927 14.870 1.00 0.00 C ATOM 553 CD1 PHE A 38 -1.150 5.221 14.513 1.00 0.00 C ATOM 554 CD2 PHE A 38 -1.066 3.404 16.130 1.00 0.00 C ATOM 555 CE1 PHE A 38 -1.938 5.976 15.400 1.00 0.00 C ATOM 556 CE2 PHE A 38 -1.850 4.159 17.019 1.00 0.00 C ATOM 557 CZ PHE A 38 -2.291 5.442 16.651 1.00 0.00 C ATOM 0 H PHE A 38 -0.668 0.941 11.622 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.792 3.255 12.711 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.306 2.121 14.337 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.960 3.564 13.588 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.873 5.634 13.554 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.728 2.419 16.415 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.271 6.964 15.120 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.114 3.754 17.985 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.902 6.018 17.330 1.00 0.00 H new ATOM 566 N LEU A 39 -0.444 2.926 10.156 1.00 0.00 N ATOM 567 CA LEU A 39 0.208 3.284 8.892 1.00 0.00 C ATOM 568 C LEU A 39 1.751 3.236 9.024 1.00 0.00 C ATOM 569 O LEU A 39 2.394 4.225 9.377 1.00 0.00 O ATOM 570 CB LEU A 39 -0.333 4.608 8.294 1.00 0.00 C ATOM 571 CG LEU A 39 -1.858 4.866 8.350 1.00 0.00 C ATOM 572 CD1 LEU A 39 -2.299 5.610 9.620 1.00 0.00 C ATOM 573 CD2 LEU A 39 -2.272 5.790 7.203 1.00 0.00 C ATOM 0 H LEU A 39 -1.120 2.171 10.038 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.057 2.525 8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.163 5.432 8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.026 4.651 7.249 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.317 3.878 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.378 5.760 9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.032 5.021 10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.800 6.578 9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.347 5.967 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.743 6.739 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.021 5.323 6.251 1.00 0.00 H new ATOM 584 N PHE A 40 2.347 2.058 8.800 1.00 0.00 N ATOM 585 CA PHE A 40 3.796 1.806 8.915 1.00 0.00 C ATOM 586 C PHE A 40 4.625 2.266 7.682 1.00 0.00 C ATOM 587 O PHE A 40 4.389 1.787 6.574 1.00 0.00 O ATOM 588 CB PHE A 40 4.013 0.310 9.233 1.00 0.00 C ATOM 589 CG PHE A 40 3.867 -0.721 8.112 1.00 0.00 C ATOM 590 CD1 PHE A 40 2.821 -0.682 7.150 1.00 0.00 C ATOM 591 CD2 PHE A 40 4.807 -1.757 8.032 1.00 0.00 C ATOM 592 CE1 PHE A 40 2.742 -1.646 6.137 1.00 0.00 C ATOM 593 CE2 PHE A 40 4.739 -2.723 7.003 1.00 0.00 C ATOM 594 CZ PHE A 40 3.704 -2.672 6.067 1.00 0.00 C ATOM 0 H PHE A 40 1.822 1.227 8.526 1.00 0.00 H new ATOM 0 HA PHE A 40 4.175 2.422 9.731 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.016 0.205 9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.312 0.038 10.022 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.078 0.100 7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.595 -1.818 8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.944 -1.603 5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.487 -3.500 6.941 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.641 -3.419 5.290 1.00 0.00 H new ATOM 603 N PRO A 41 5.590 3.203 7.805 1.00 0.00 N ATOM 604 CA PRO A 41 6.381 3.699 6.676 1.00 0.00 C ATOM 605 C PRO A 41 7.676 2.893 6.484 1.00 0.00 C ATOM 606 O PRO A 41 8.758 3.322 6.891 1.00 0.00 O ATOM 607 CB PRO A 41 6.631 5.175 6.987 1.00 0.00 C ATOM 608 CG PRO A 41 6.717 5.216 8.509 1.00 0.00 C ATOM 609 CD PRO A 41 5.815 4.065 8.960 1.00 0.00 C ATOM 0 HA PRO A 41 5.860 3.584 5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.552 5.531 6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.823 5.805 6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.742 5.080 8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.372 6.172 8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.284 3.506 9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.869 4.447 9.343 1.00 0.00 H new ATOM 614 N ILE A 42 7.579 1.706 5.878 1.00 0.00 N ATOM 615 CA ILE A 42 8.759 0.872 5.574 1.00 0.00 C ATOM 616 C ILE A 42 9.401 1.281 4.243 1.00 0.00 C ATOM 617 O ILE A 42 8.797 1.981 3.424 1.00 0.00 O ATOM 618 CB ILE A 42 8.446 -0.646 5.627 1.00 0.00 C ATOM 619 CG1 ILE A 42 7.883 -1.196 4.296 1.00 0.00 C ATOM 620 CG2 ILE A 42 7.576 -0.933 6.853 1.00 0.00 C ATOM 621 CD1 ILE A 42 6.773 -2.241 4.366 1.00 0.00 C ATOM 0 H ILE A 42 6.693 1.294 5.585 1.00 0.00 H new ATOM 0 HA ILE A 42 9.489 1.057 6.362 1.00 0.00 H new ATOM 0 HB ILE A 42 9.377 -1.201 5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.511 -0.351 3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.712 -1.627 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.351 -1.999 6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.110 -0.636 7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.646 -0.369 6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.482 -2.530 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.132 -3.118 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.912 -1.822 4.886 1.00 0.00 H new ATOM 632 N ASP A 43 10.607 0.777 4.001 1.00 0.00 N ATOM 633 CA ASP A 43 11.265 0.853 2.700 1.00 0.00 C ATOM 634 C ASP A 43 10.986 -0.433 1.905 1.00 0.00 C ATOM 635 O ASP A 43 11.255 -1.533 2.393 1.00 0.00 O ATOM 636 CB ASP A 43 12.769 1.071 2.933 1.00 0.00 C ATOM 637 CG ASP A 43 13.539 1.452 1.662 1.00 0.00 C ATOM 638 OD1 ASP A 43 12.973 1.330 0.542 1.00 0.00 O ATOM 639 OD2 ASP A 43 14.715 1.856 1.775 1.00 0.00 O ATOM 0 H ASP A 43 11.162 0.299 4.711 1.00 0.00 H new ATOM 0 HA ASP A 43 10.879 1.687 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.903 1.856 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.199 0.160 3.349 1.00 0.00 H new ATOM 643 N ILE A 44 10.477 -0.322 0.673 1.00 0.00 N ATOM 644 CA ILE A 44 10.356 -1.464 -0.255 1.00 0.00 C ATOM 645 C ILE A 44 11.699 -2.181 -0.446 1.00 0.00 C ATOM 646 O ILE A 44 11.711 -3.400 -0.588 1.00 0.00 O ATOM 647 CB ILE A 44 9.779 -1.007 -1.613 1.00 0.00 C ATOM 648 CG1 ILE A 44 8.366 -0.401 -1.461 1.00 0.00 C ATOM 649 CG2 ILE A 44 9.772 -2.151 -2.649 1.00 0.00 C ATOM 650 CD1 ILE A 44 7.278 -1.371 -0.988 1.00 0.00 C ATOM 0 H ILE A 44 10.136 0.558 0.287 1.00 0.00 H new ATOM 0 HA ILE A 44 9.663 -2.178 0.190 1.00 0.00 H new ATOM 0 HB ILE A 44 10.441 -0.225 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.420 0.429 -0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.064 0.016 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.359 -1.787 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.791 -2.501 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.161 -2.974 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.327 -0.844 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.185 -2.190 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.547 -1.771 -0.010 1.00 0.00 H new ATOM 661 N SER A 45 12.833 -1.472 -0.382 1.00 0.00 N ATOM 662 CA SER A 45 14.161 -2.102 -0.415 1.00 0.00 C ATOM 663 C SER A 45 14.365 -3.090 0.742 1.00 0.00 C ATOM 664 O SER A 45 14.790 -4.222 0.503 1.00 0.00 O ATOM 665 CB SER A 45 15.271 -1.041 -0.427 1.00 0.00 C ATOM 666 OG SER A 45 16.064 -1.184 -1.595 1.00 0.00 O ATOM 0 H SER A 45 12.858 -0.455 -0.307 1.00 0.00 H new ATOM 0 HA SER A 45 14.218 -2.675 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.833 -0.043 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.894 -1.144 0.461 1.00 0.00 H new ATOM 0 HG SER A 45 16.769 -0.503 -1.597 1.00 0.00 H new ATOM 671 N LEU A 46 13.991 -2.722 1.980 1.00 0.00 N ATOM 672 CA LEU A 46 14.022 -3.644 3.124 1.00 0.00 C ATOM 673 C LEU A 46 12.988 -4.759 2.950 1.00 0.00 C ATOM 674 O LEU A 46 13.315 -5.923 3.167 1.00 0.00 O ATOM 675 CB LEU A 46 13.921 -2.895 4.480 1.00 0.00 C ATOM 676 CG LEU A 46 12.568 -2.853 5.239 1.00 0.00 C ATOM 677 CD1 LEU A 46 12.241 -4.143 6.002 1.00 0.00 C ATOM 678 CD2 LEU A 46 12.605 -1.742 6.292 1.00 0.00 C ATOM 0 H LEU A 46 13.662 -1.785 2.212 1.00 0.00 H new ATOM 0 HA LEU A 46 14.996 -4.132 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.657 -3.337 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.228 -1.864 4.306 1.00 0.00 H new ATOM 0 HG LEU A 46 11.813 -2.695 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.280 -4.034 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.191 -4.977 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.019 -4.336 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.654 -1.713 6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.411 -1.938 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.776 -0.783 5.803 1.00 0.00 H new ATOM 689 N VAL A 47 11.757 -4.430 2.531 1.00 0.00 N ATOM 690 CA VAL A 47 10.681 -5.424 2.405 1.00 0.00 C ATOM 691 C VAL A 47 11.008 -6.484 1.357 1.00 0.00 C ATOM 692 O VAL A 47 10.800 -7.667 1.603 1.00 0.00 O ATOM 693 CB VAL A 47 9.299 -4.768 2.168 1.00 0.00 C ATOM 694 CG1 VAL A 47 8.613 -5.151 0.845 1.00 0.00 C ATOM 695 CG2 VAL A 47 8.389 -5.158 3.337 1.00 0.00 C ATOM 0 H VAL A 47 11.482 -3.482 2.273 1.00 0.00 H new ATOM 0 HA VAL A 47 10.613 -5.939 3.363 1.00 0.00 H new ATOM 0 HB VAL A 47 9.469 -3.693 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.652 -4.641 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.245 -4.855 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.454 -6.229 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.405 -4.709 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.291 -6.243 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.822 -4.800 4.271 1.00 0.00 H new ATOM 705 N LYS A 48 11.583 -6.089 0.216 1.00 0.00 N ATOM 706 CA LYS A 48 12.027 -6.992 -0.848 1.00 0.00 C ATOM 707 C LYS A 48 13.120 -7.936 -0.343 1.00 0.00 C ATOM 708 O LYS A 48 13.035 -9.136 -0.599 1.00 0.00 O ATOM 709 CB LYS A 48 12.472 -6.139 -2.051 1.00 0.00 C ATOM 710 CG LYS A 48 13.129 -6.925 -3.206 1.00 0.00 C ATOM 711 CD LYS A 48 14.562 -6.447 -3.478 1.00 0.00 C ATOM 712 CE LYS A 48 14.565 -5.018 -4.042 1.00 0.00 C ATOM 713 NZ LYS A 48 15.945 -4.489 -4.205 1.00 0.00 N ATOM 0 H LYS A 48 11.756 -5.107 0.003 1.00 0.00 H new ATOM 0 HA LYS A 48 11.210 -7.638 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.603 -5.609 -2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.175 -5.384 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.140 -7.987 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.530 -6.811 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.142 -6.479 -2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.047 -7.122 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.056 -5.007 -5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.002 -4.364 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.903 -3.523 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.423 -4.475 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.475 -5.098 -4.860 1.00 0.00 H new ATOM 723 N ARG A 49 14.090 -7.414 0.417 1.00 0.00 N ATOM 724 CA ARG A 49 15.172 -8.185 1.062 1.00 0.00 C ATOM 725 C ARG A 49 14.678 -9.100 2.193 1.00 0.00 C ATOM 726 O ARG A 49 15.254 -10.166 2.401 1.00 0.00 O ATOM 727 CB ARG A 49 16.246 -7.203 1.567 1.00 0.00 C ATOM 728 CG ARG A 49 17.001 -6.541 0.399 1.00 0.00 C ATOM 729 CD ARG A 49 17.723 -5.245 0.801 1.00 0.00 C ATOM 730 NE ARG A 49 19.150 -5.450 1.120 1.00 0.00 N ATOM 731 CZ ARG A 49 20.156 -5.475 0.260 1.00 0.00 C ATOM 732 NH1 ARG A 49 19.974 -5.405 -1.030 1.00 0.00 N ATOM 733 NH2 ARG A 49 21.383 -5.571 0.681 1.00 0.00 N ATOM 0 H ARG A 49 14.150 -6.414 0.609 1.00 0.00 H new ATOM 0 HA ARG A 49 15.597 -8.856 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 49 15.777 -6.434 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 49 16.953 -7.733 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.730 -7.246 -0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.296 -6.323 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.639 -4.523 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.222 -4.811 1.667 1.00 0.00 H new ATOM 0 HE ARG A 49 19.385 -5.586 2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.030 -5.328 -1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.776 -5.427 -1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.576 -5.628 1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.152 -5.590 0.011 1.00 0.00 H new ATOM 744 N GLU A 50 13.611 -8.718 2.899 1.00 0.00 N ATOM 745 CA GLU A 50 12.935 -9.538 3.917 1.00 0.00 C ATOM 746 C GLU A 50 12.038 -10.630 3.319 1.00 0.00 C ATOM 747 O GLU A 50 11.953 -11.727 3.877 1.00 0.00 O ATOM 748 CB GLU A 50 12.077 -8.646 4.838 1.00 0.00 C ATOM 749 CG GLU A 50 12.859 -8.063 6.021 1.00 0.00 C ATOM 750 CD GLU A 50 12.991 -9.048 7.204 1.00 0.00 C ATOM 751 OE1 GLU A 50 13.342 -10.235 6.998 1.00 0.00 O ATOM 752 OE2 GLU A 50 12.757 -8.634 8.368 1.00 0.00 O ATOM 0 H GLU A 50 13.178 -7.803 2.777 1.00 0.00 H new ATOM 0 HA GLU A 50 13.727 -10.031 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.657 -7.829 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.238 -9.229 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.854 -7.774 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.363 -7.155 6.365 1.00 0.00 H new ATOM 757 N HIS A 51 11.364 -10.352 2.198 1.00 0.00 N ATOM 758 CA HIS A 51 10.560 -11.340 1.485 1.00 0.00 C ATOM 759 C HIS A 51 11.478 -12.391 0.823 1.00 0.00 C ATOM 760 O HIS A 51 11.337 -13.572 1.122 1.00 0.00 O ATOM 761 CB HIS A 51 9.564 -10.646 0.520 1.00 0.00 C ATOM 762 CG HIS A 51 9.799 -10.899 -0.945 1.00 0.00 C ATOM 763 ND1 HIS A 51 10.647 -10.223 -1.794 1.00 0.00 N ATOM 764 CD2 HIS A 51 9.331 -11.977 -1.629 1.00 0.00 C ATOM 765 CE1 HIS A 51 10.682 -10.876 -2.965 1.00 0.00 C ATOM 766 NE2 HIS A 51 9.896 -11.962 -2.909 1.00 0.00 N ATOM 0 H HIS A 51 11.363 -9.430 1.761 1.00 0.00 H new ATOM 0 HA HIS A 51 9.934 -11.893 2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.555 -10.973 0.770 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.603 -9.571 0.696 1.00 0.00 H new ATOM 0 HD1 HIS A 51 11.161 -9.371 -1.570 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.642 -12.717 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.258 -10.572 -3.826 1.00 0.00 H new ATOM 774 N ASP A 52 12.418 -11.954 -0.032 1.00 0.00 N ATOM 775 CA ASP A 52 13.317 -12.724 -0.916 1.00 0.00 C ATOM 776 C ASP A 52 12.891 -14.180 -1.269 1.00 0.00 C ATOM 777 O ASP A 52 13.665 -15.130 -1.129 1.00 0.00 O ATOM 778 CB ASP A 52 14.780 -12.561 -0.456 1.00 0.00 C ATOM 779 CG ASP A 52 15.213 -13.442 0.736 1.00 0.00 C ATOM 780 OD1 ASP A 52 14.540 -13.462 1.793 1.00 0.00 O ATOM 781 OD2 ASP A 52 16.282 -14.095 0.634 1.00 0.00 O ATOM 0 H ASP A 52 12.586 -10.953 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 52 13.219 -12.271 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.433 -12.780 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.943 -11.517 -0.189 1.00 0.00 H new ATOM 785 N PHE A 53 11.647 -14.360 -1.742 1.00 0.00 N ATOM 786 CA PHE A 53 10.970 -15.669 -1.862 1.00 0.00 C ATOM 787 C PHE A 53 10.167 -15.845 -3.163 1.00 0.00 C ATOM 788 O PHE A 53 10.207 -16.906 -3.791 1.00 0.00 O ATOM 789 CB PHE A 53 10.031 -15.834 -0.652 1.00 0.00 C ATOM 790 CG PHE A 53 9.380 -17.194 -0.498 1.00 0.00 C ATOM 791 CD1 PHE A 53 8.221 -17.529 -1.224 1.00 0.00 C ATOM 792 CD2 PHE A 53 9.926 -18.117 0.413 1.00 0.00 C ATOM 793 CE1 PHE A 53 7.629 -18.794 -1.059 1.00 0.00 C ATOM 794 CE2 PHE A 53 9.328 -19.376 0.587 1.00 0.00 C ATOM 795 CZ PHE A 53 8.185 -19.718 -0.156 1.00 0.00 C ATOM 0 H PHE A 53 11.067 -13.583 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 53 11.746 -16.434 -1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.597 -15.619 0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.245 -15.082 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.787 -16.815 -1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.807 -17.857 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.748 -19.056 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.746 -20.080 1.291 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.733 -20.691 -0.033 1.00 0.00 H new ATOM 804 N LEU A 54 9.435 -14.805 -3.561 1.00 0.00 N ATOM 805 CA LEU A 54 8.582 -14.731 -4.744 1.00 0.00 C ATOM 806 C LEU A 54 9.423 -14.276 -5.961 1.00 0.00 C ATOM 807 O LEU A 54 10.655 -14.196 -5.902 1.00 0.00 O ATOM 808 CB LEU A 54 7.449 -13.715 -4.473 1.00 0.00 C ATOM 809 CG LEU A 54 6.735 -13.733 -3.102 1.00 0.00 C ATOM 810 CD1 LEU A 54 6.266 -12.316 -2.743 1.00 0.00 C ATOM 811 CD2 LEU A 54 5.542 -14.691 -3.072 1.00 0.00 C ATOM 0 H LEU A 54 9.422 -13.935 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 54 8.153 -15.710 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.862 -12.716 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.689 -13.858 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 54 7.457 -14.091 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.763 -12.333 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.127 -11.650 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.574 -11.958 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.078 -14.664 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.814 -14.389 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.883 -15.704 -3.284 1.00 0.00 H new ATOM 822 N ASP A 55 8.759 -13.933 -7.064 1.00 0.00 N ATOM 823 CA ASP A 55 9.377 -13.260 -8.216 1.00 0.00 C ATOM 824 C ASP A 55 9.637 -11.758 -7.949 1.00 0.00 C ATOM 825 O ASP A 55 8.984 -11.138 -7.104 1.00 0.00 O ATOM 826 CB ASP A 55 8.456 -13.416 -9.437 1.00 0.00 C ATOM 827 CG ASP A 55 8.104 -14.888 -9.716 1.00 0.00 C ATOM 828 OD1 ASP A 55 8.951 -15.615 -10.290 1.00 0.00 O ATOM 829 OD2 ASP A 55 6.980 -15.320 -9.362 1.00 0.00 O ATOM 0 H ASP A 55 7.763 -14.115 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 55 10.344 -13.727 -8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.539 -12.850 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.942 -12.988 -10.314 1.00 0.00 H new ATOM 833 N ARG A 56 10.512 -11.124 -8.745 1.00 0.00 N ATOM 834 CA ARG A 56 10.638 -9.648 -8.802 1.00 0.00 C ATOM 835 C ARG A 56 9.308 -8.965 -9.144 1.00 0.00 C ATOM 836 O ARG A 56 8.989 -7.920 -8.582 1.00 0.00 O ATOM 837 CB ARG A 56 11.702 -9.237 -9.837 1.00 0.00 C ATOM 838 CG ARG A 56 13.155 -9.561 -9.459 1.00 0.00 C ATOM 839 CD ARG A 56 13.658 -8.746 -8.256 1.00 0.00 C ATOM 840 NE ARG A 56 15.131 -8.630 -8.255 1.00 0.00 N ATOM 841 CZ ARG A 56 16.022 -9.563 -7.959 1.00 0.00 C ATOM 842 NH1 ARG A 56 15.682 -10.745 -7.531 1.00 0.00 N ATOM 843 NH2 ARG A 56 17.294 -9.320 -8.100 1.00 0.00 N ATOM 0 H ARG A 56 11.154 -11.613 -9.369 1.00 0.00 H new ATOM 0 HA ARG A 56 10.941 -9.319 -7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.473 -9.729 -10.782 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.621 -8.164 -10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.237 -10.624 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.800 -9.368 -10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.214 -7.751 -8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.329 -9.220 -7.331 1.00 0.00 H new ATOM 0 HE ARG A 56 15.508 -7.718 -8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.697 -10.981 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.401 -11.435 -7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.605 -8.410 -8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 56 17.979 -10.040 -7.871 1.00 0.00 H new ATOM 854 N ASP A 57 8.514 -9.581 -10.024 1.00 0.00 N ATOM 855 CA ASP A 57 7.176 -9.111 -10.408 1.00 0.00 C ATOM 856 C ASP A 57 6.192 -9.134 -9.223 1.00 0.00 C ATOM 857 O ASP A 57 5.389 -8.218 -9.056 1.00 0.00 O ATOM 858 CB ASP A 57 6.645 -9.969 -11.570 1.00 0.00 C ATOM 859 CG ASP A 57 5.738 -9.185 -12.538 1.00 0.00 C ATOM 860 OD1 ASP A 57 4.803 -8.478 -12.093 1.00 0.00 O ATOM 861 OD2 ASP A 57 5.955 -9.284 -13.771 1.00 0.00 O ATOM 0 H ASP A 57 8.788 -10.440 -10.501 1.00 0.00 H new ATOM 0 HA ASP A 57 7.261 -8.073 -10.729 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.489 -10.380 -12.125 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.088 -10.814 -11.165 1.00 0.00 H new ATOM 865 N ALA A 58 6.294 -10.140 -8.344 1.00 0.00 N ATOM 866 CA ALA A 58 5.494 -10.206 -7.126 1.00 0.00 C ATOM 867 C ALA A 58 5.841 -9.064 -6.164 1.00 0.00 C ATOM 868 O ALA A 58 4.923 -8.457 -5.614 1.00 0.00 O ATOM 869 CB ALA A 58 5.692 -11.558 -6.449 1.00 0.00 C ATOM 0 H ALA A 58 6.933 -10.926 -8.462 1.00 0.00 H new ATOM 0 HA ALA A 58 4.445 -10.094 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.092 -11.601 -5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.382 -12.353 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.744 -11.687 -6.196 1.00 0.00 H new ATOM 875 N ILE A 59 7.129 -8.713 -6.003 1.00 0.00 N ATOM 876 CA ILE A 59 7.502 -7.478 -5.294 1.00 0.00 C ATOM 877 C ILE A 59 7.013 -6.234 -6.022 1.00 0.00 C ATOM 878 O ILE A 59 6.493 -5.363 -5.351 1.00 0.00 O ATOM 879 CB ILE A 59 9.003 -7.386 -4.917 1.00 0.00 C ATOM 880 CG1 ILE A 59 9.180 -7.755 -3.428 1.00 0.00 C ATOM 881 CG2 ILE A 59 9.658 -6.011 -5.188 1.00 0.00 C ATOM 882 CD1 ILE A 59 8.639 -6.757 -2.386 1.00 0.00 C ATOM 0 H ILE A 59 7.918 -9.259 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 59 6.978 -7.528 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 59 9.517 -8.092 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.695 -8.716 -3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.244 -7.897 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.707 -6.043 -4.893 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.587 -5.777 -6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.143 -5.243 -4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.829 -7.139 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.139 -5.796 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.566 -6.629 -2.528 1.00 0.00 H new ATOM 893 N GLU A 60 7.116 -6.109 -7.345 1.00 0.00 N ATOM 894 CA GLU A 60 6.608 -4.925 -8.061 1.00 0.00 C ATOM 895 C GLU A 60 5.084 -4.745 -7.900 1.00 0.00 C ATOM 896 O GLU A 60 4.600 -3.619 -7.758 1.00 0.00 O ATOM 897 CB GLU A 60 6.998 -5.013 -9.544 1.00 0.00 C ATOM 898 CG GLU A 60 8.466 -4.634 -9.798 1.00 0.00 C ATOM 899 CD GLU A 60 8.626 -3.134 -10.114 1.00 0.00 C ATOM 900 OE1 GLU A 60 8.288 -2.711 -11.249 1.00 0.00 O ATOM 901 OE2 GLU A 60 9.100 -2.366 -9.241 1.00 0.00 O ATOM 0 H GLU A 60 7.546 -6.810 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 60 7.069 -4.043 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.823 -6.028 -9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.352 -4.354 -10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.063 -4.886 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.855 -5.223 -10.628 1.00 0.00 H new ATOM 906 N ALA A 61 4.325 -5.844 -7.851 1.00 0.00 N ATOM 907 CA ALA A 61 2.888 -5.858 -7.592 1.00 0.00 C ATOM 908 C ALA A 61 2.549 -5.540 -6.120 1.00 0.00 C ATOM 909 O ALA A 61 1.726 -4.665 -5.850 1.00 0.00 O ATOM 910 CB ALA A 61 2.354 -7.234 -8.014 1.00 0.00 C ATOM 0 H ALA A 61 4.710 -6.777 -7.996 1.00 0.00 H new ATOM 0 HA ALA A 61 2.406 -5.071 -8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.280 -7.279 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.550 -7.391 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.852 -8.011 -7.434 1.00 0.00 H new ATOM 916 N LEU A 62 3.222 -6.197 -5.165 1.00 0.00 N ATOM 917 CA LEU A 62 3.111 -5.943 -3.723 1.00 0.00 C ATOM 918 C LEU A 62 3.499 -4.505 -3.381 1.00 0.00 C ATOM 919 O LEU A 62 2.730 -3.795 -2.741 1.00 0.00 O ATOM 920 CB LEU A 62 3.977 -6.980 -2.986 1.00 0.00 C ATOM 921 CG LEU A 62 4.292 -6.687 -1.512 1.00 0.00 C ATOM 922 CD1 LEU A 62 3.032 -6.546 -0.665 1.00 0.00 C ATOM 923 CD2 LEU A 62 5.135 -7.830 -0.950 1.00 0.00 C ATOM 0 H LEU A 62 3.880 -6.945 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 62 2.076 -6.052 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.474 -7.946 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.920 -7.080 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 62 4.829 -5.739 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.310 -6.339 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.426 -5.726 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.459 -7.472 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.365 -7.632 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.580 -8.765 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.063 -7.910 -1.516 1.00 0.00 H new ATOM 934 N CYS A 63 4.645 -4.054 -3.885 1.00 0.00 N ATOM 935 CA CYS A 63 5.119 -2.677 -3.853 1.00 0.00 C ATOM 936 C CYS A 63 4.052 -1.697 -4.315 1.00 0.00 C ATOM 937 O CYS A 63 3.992 -0.620 -3.752 1.00 0.00 O ATOM 938 CB CYS A 63 6.403 -2.539 -4.689 1.00 0.00 C ATOM 939 SG CYS A 63 6.961 -0.819 -4.860 1.00 0.00 S ATOM 0 H CYS A 63 5.304 -4.677 -4.353 1.00 0.00 H new ATOM 0 HA CYS A 63 5.348 -2.425 -2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.195 -3.127 -4.226 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.231 -2.959 -5.680 1.00 0.00 H new ATOM 0 HG CYS A 63 8.047 -0.784 -5.574 1.00 0.00 H new ATOM 944 N ARG A 64 3.149 -2.029 -5.241 1.00 0.00 N ATOM 945 CA ARG A 64 2.077 -1.094 -5.601 1.00 0.00 C ATOM 946 C ARG A 64 1.193 -0.712 -4.410 1.00 0.00 C ATOM 947 O ARG A 64 0.987 0.474 -4.156 1.00 0.00 O ATOM 948 CB ARG A 64 1.266 -1.663 -6.767 1.00 0.00 C ATOM 949 CG ARG A 64 0.518 -0.531 -7.484 1.00 0.00 C ATOM 950 CD ARG A 64 0.489 -0.757 -8.997 1.00 0.00 C ATOM 951 NE ARG A 64 0.386 0.529 -9.707 1.00 0.00 N ATOM 952 CZ ARG A 64 0.552 0.720 -11.003 1.00 0.00 C ATOM 953 NH1 ARG A 64 0.671 -0.273 -11.839 1.00 0.00 N ATOM 954 NH2 ARG A 64 0.611 1.927 -11.484 1.00 0.00 N ATOM 0 H ARG A 64 3.135 -2.916 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 64 2.540 -0.161 -5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.928 -2.174 -7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.556 -2.405 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.502 -0.468 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.000 0.422 -7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.392 -1.281 -9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.356 -1.393 -9.260 1.00 0.00 H new ATOM 0 HE ARG A 64 0.165 1.350 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.637 -1.234 -11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.798 -0.089 -12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.529 2.729 -10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.739 2.071 -12.486 1.00 0.00 H new ATOM 965 N ARG A 65 0.724 -1.704 -3.645 1.00 0.00 N ATOM 966 CA ARG A 65 -0.109 -1.499 -2.445 1.00 0.00 C ATOM 967 C ARG A 65 0.723 -1.104 -1.242 1.00 0.00 C ATOM 968 O ARG A 65 0.361 -0.172 -0.533 1.00 0.00 O ATOM 969 CB ARG A 65 -0.932 -2.760 -2.136 1.00 0.00 C ATOM 970 CG ARG A 65 -2.283 -2.758 -2.860 1.00 0.00 C ATOM 971 CD ARG A 65 -2.167 -2.557 -4.374 1.00 0.00 C ATOM 972 NE ARG A 65 -3.481 -2.601 -5.035 1.00 0.00 N ATOM 973 CZ ARG A 65 -3.688 -2.632 -6.338 1.00 0.00 C ATOM 974 NH1 ARG A 65 -2.704 -2.667 -7.194 1.00 0.00 N ATOM 975 NH2 ARG A 65 -4.898 -2.635 -6.815 1.00 0.00 N ATOM 0 H ARG A 65 0.913 -2.687 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.791 -0.676 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.365 -3.643 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.097 -2.830 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.792 -3.702 -2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.908 -1.968 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.690 -1.598 -4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.523 -3.329 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.304 -2.608 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.739 -2.671 -6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.899 -2.690 -8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.696 -2.613 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.049 -2.659 -7.824 1.00 0.00 H new ATOM 986 N LEU A 66 1.861 -1.757 -1.037 1.00 0.00 N ATOM 987 CA LEU A 66 2.764 -1.428 0.050 1.00 0.00 C ATOM 988 C LEU A 66 3.325 -0.012 -0.098 1.00 0.00 C ATOM 989 O LEU A 66 3.220 0.731 0.855 1.00 0.00 O ATOM 990 CB LEU A 66 3.840 -2.513 0.199 1.00 0.00 C ATOM 991 CG LEU A 66 4.009 -3.016 1.640 1.00 0.00 C ATOM 992 CD1 LEU A 66 2.759 -3.690 2.190 1.00 0.00 C ATOM 993 CD2 LEU A 66 5.122 -4.053 1.631 1.00 0.00 C ATOM 0 H LEU A 66 2.180 -2.529 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 66 2.207 -1.418 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.586 -3.356 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.793 -2.119 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 66 4.225 -2.154 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.944 -4.022 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.931 -2.981 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.506 -4.549 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.272 -4.435 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.848 -4.875 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.045 -3.593 1.276 1.00 0.00 H new ATOM 1004 N ASN A 67 3.798 0.436 -1.266 1.00 0.00 N ATOM 1005 CA ASN A 67 4.157 1.841 -1.513 1.00 0.00 C ATOM 1006 C ASN A 67 2.987 2.779 -1.218 1.00 0.00 C ATOM 1007 O ASN A 67 3.187 3.755 -0.515 1.00 0.00 O ATOM 1008 CB ASN A 67 4.648 2.064 -2.954 1.00 0.00 C ATOM 1009 CG ASN A 67 4.967 3.520 -3.245 1.00 0.00 C ATOM 1010 OD1 ASN A 67 5.979 4.061 -2.822 1.00 0.00 O ATOM 1011 ND2 ASN A 67 4.107 4.203 -3.970 1.00 0.00 N ATOM 0 H ASN A 67 3.944 -0.169 -2.074 1.00 0.00 H new ATOM 0 HA ASN A 67 4.975 2.074 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.538 1.459 -3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.886 1.717 -3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.284 5.185 -4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.264 3.750 -4.322 1.00 0.00 H new ATOM 1017 N THR A 68 1.773 2.490 -1.691 1.00 0.00 N ATOM 1018 CA THR A 68 0.566 3.272 -1.358 1.00 0.00 C ATOM 1019 C THR A 68 0.362 3.405 0.162 1.00 0.00 C ATOM 1020 O THR A 68 0.126 4.504 0.670 1.00 0.00 O ATOM 1021 CB THR A 68 -0.641 2.631 -2.068 1.00 0.00 C ATOM 1022 OG1 THR A 68 -0.688 3.098 -3.398 1.00 0.00 O ATOM 1023 CG2 THR A 68 -2.009 2.888 -1.454 1.00 0.00 C ATOM 0 H THR A 68 1.592 1.706 -2.318 1.00 0.00 H new ATOM 0 HA THR A 68 0.683 4.295 -1.716 1.00 0.00 H new ATOM 0 HB THR A 68 -0.467 1.559 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.584 2.950 -3.765 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.774 2.384 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.028 2.505 -0.434 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.207 3.960 -1.443 1.00 0.00 H new ATOM 1031 N LEU A 69 0.518 2.306 0.903 1.00 0.00 N ATOM 1032 CA LEU A 69 0.412 2.241 2.364 1.00 0.00 C ATOM 1033 C LEU A 69 1.570 2.973 3.064 1.00 0.00 C ATOM 1034 O LEU A 69 1.330 3.855 3.881 1.00 0.00 O ATOM 1035 CB LEU A 69 0.313 0.748 2.752 1.00 0.00 C ATOM 1036 CG LEU A 69 -1.118 0.164 2.728 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -2.072 0.686 1.655 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -1.050 -1.363 2.706 1.00 0.00 C ATOM 0 H LEU A 69 0.730 1.400 0.486 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.481 2.764 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.938 0.169 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.726 0.619 3.753 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.572 0.531 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.038 0.191 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.201 1.762 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.659 0.478 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.060 -1.772 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.511 -1.690 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.530 -1.717 3.596 1.00 0.00 H new ATOM 1049 N ASN A 70 2.815 2.680 2.687 1.00 0.00 N ATOM 1050 CA ASN A 70 4.060 3.302 3.151 1.00 0.00 C ATOM 1051 C ASN A 70 4.123 4.813 2.840 1.00 0.00 C ATOM 1052 O ASN A 70 4.729 5.582 3.588 1.00 0.00 O ATOM 1053 CB ASN A 70 5.275 2.603 2.498 1.00 0.00 C ATOM 1054 CG ASN A 70 5.371 1.099 2.705 1.00 0.00 C ATOM 1055 OD1 ASN A 70 4.861 0.527 3.654 1.00 0.00 O ATOM 1056 ND2 ASN A 70 6.033 0.400 1.807 1.00 0.00 N ATOM 0 H ASN A 70 2.995 1.949 1.999 1.00 0.00 H new ATOM 0 HA ASN A 70 4.086 3.184 4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.250 2.801 1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.184 3.062 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.116 -0.612 1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.463 0.870 1.010 1.00 0.00 H new ATOM 1062 N LYS A 71 3.490 5.248 1.742 1.00 0.00 N ATOM 1063 CA LYS A 71 3.352 6.648 1.318 1.00 0.00 C ATOM 1064 C LYS A 71 2.380 7.387 2.226 1.00 0.00 C ATOM 1065 O LYS A 71 2.761 8.397 2.809 1.00 0.00 O ATOM 1066 CB LYS A 71 2.909 6.711 -0.161 1.00 0.00 C ATOM 1067 CG LYS A 71 2.637 8.128 -0.696 1.00 0.00 C ATOM 1068 CD LYS A 71 3.906 8.985 -0.844 1.00 0.00 C ATOM 1069 CE LYS A 71 4.653 8.715 -2.160 1.00 0.00 C ATOM 1070 NZ LYS A 71 4.005 9.397 -3.313 1.00 0.00 N ATOM 0 H LYS A 71 3.039 4.602 1.094 1.00 0.00 H new ATOM 0 HA LYS A 71 4.319 7.144 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.680 6.248 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.005 6.114 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.144 8.053 -1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.943 8.634 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.635 10.040 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.573 8.787 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.684 9.056 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.687 7.641 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.538 9.191 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.029 9.054 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.995 10.424 -3.148 1.00 0.00 H new ATOM 1080 N CYS A 72 1.162 6.871 2.419 1.00 0.00 N ATOM 1081 CA CYS A 72 0.237 7.433 3.408 1.00 0.00 C ATOM 1082 C CYS A 72 0.793 7.347 4.842 1.00 0.00 C ATOM 1083 O CYS A 72 0.571 8.238 5.654 1.00 0.00 O ATOM 1084 CB CYS A 72 -1.142 6.767 3.275 1.00 0.00 C ATOM 1085 SG CYS A 72 -2.324 8.007 2.681 1.00 0.00 S ATOM 0 H CYS A 72 0.795 6.069 1.906 1.00 0.00 H new ATOM 0 HA CYS A 72 0.121 8.497 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.092 5.928 2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.464 6.367 4.236 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.499 7.463 2.559 1.00 0.00 H new ATOM 1090 N ALA A 73 1.608 6.336 5.142 1.00 0.00 N ATOM 1091 CA ALA A 73 2.315 6.188 6.405 1.00 0.00 C ATOM 1092 C ALA A 73 3.326 7.305 6.728 1.00 0.00 C ATOM 1093 O ALA A 73 3.465 7.668 7.900 1.00 0.00 O ATOM 1094 CB ALA A 73 2.987 4.824 6.410 1.00 0.00 C ATOM 0 H ALA A 73 1.797 5.576 4.489 1.00 0.00 H new ATOM 0 HA ALA A 73 1.573 6.273 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.525 4.687 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.231 4.045 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.687 4.760 5.577 1.00 0.00 H new ATOM 1100 N VAL A 74 4.004 7.883 5.723 1.00 0.00 N ATOM 1101 CA VAL A 74 4.787 9.125 5.906 1.00 0.00 C ATOM 1102 C VAL A 74 3.922 10.386 5.746 1.00 0.00 C ATOM 1103 O VAL A 74 4.114 11.355 6.482 1.00 0.00 O ATOM 1104 CB VAL A 74 6.037 9.208 4.999 1.00 0.00 C ATOM 1105 CG1 VAL A 74 7.080 8.157 5.387 1.00 0.00 C ATOM 1106 CG2 VAL A 74 5.779 9.026 3.499 1.00 0.00 C ATOM 0 H VAL A 74 4.028 7.513 4.773 1.00 0.00 H new ATOM 0 HA VAL A 74 5.145 9.082 6.935 1.00 0.00 H new ATOM 0 HB VAL A 74 6.387 10.227 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.945 8.243 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.391 8.317 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.647 7.161 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.721 9.102 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.337 8.046 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.096 9.801 3.151 1.00 0.00 H new ATOM 1116 N MET A 75 2.929 10.366 4.847 1.00 0.00 N ATOM 1117 CA MET A 75 2.011 11.476 4.531 1.00 0.00 C ATOM 1118 C MET A 75 0.653 11.373 5.271 1.00 0.00 C ATOM 1119 O MET A 75 -0.413 11.565 4.676 1.00 0.00 O ATOM 1120 CB MET A 75 1.825 11.602 3.005 1.00 0.00 C ATOM 1121 CG MET A 75 3.084 12.039 2.249 1.00 0.00 C ATOM 1122 SD MET A 75 3.642 13.729 2.608 1.00 0.00 S ATOM 1123 CE MET A 75 4.555 14.071 1.077 1.00 0.00 C ATOM 0 H MET A 75 2.732 9.534 4.290 1.00 0.00 H new ATOM 0 HA MET A 75 2.475 12.391 4.900 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.494 10.641 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.029 12.319 2.806 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.892 11.347 2.487 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.896 11.954 1.179 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.973 15.077 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.362 13.347 0.965 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.879 13.994 0.225 1.00 0.00 H new ATOM 1131 N LYS A 76 0.717 11.095 6.581 1.00 0.00 N ATOM 1132 CA LYS A 76 -0.368 11.110 7.588 1.00 0.00 C ATOM 1133 C LYS A 76 -1.271 9.856 7.632 1.00 0.00 C ATOM 1134 O LYS A 76 -1.217 9.176 8.678 1.00 0.00 O ATOM 1135 CB LYS A 76 -1.205 12.406 7.524 1.00 0.00 C ATOM 1136 CG LYS A 76 -1.521 12.915 8.940 1.00 0.00 C ATOM 1137 CD LYS A 76 -2.869 13.651 9.054 1.00 0.00 C ATOM 1138 CE LYS A 76 -3.684 13.112 10.238 1.00 0.00 C ATOM 1139 NZ LYS A 76 -4.170 11.724 10.002 1.00 0.00 N ATOM 1140 OXT LYS A 76 -2.100 9.631 6.721 1.00 0.00 O ATOM 0 H LYS A 76 1.605 10.830 7.006 1.00 0.00 H new ATOM 0 HA LYS A 76 0.170 11.085 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.660 13.170 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.133 12.220 6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.521 12.069 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.724 13.586 9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.696 14.720 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.435 13.528 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.070 13.132 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.536 13.767 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.912 11.494 10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.558 11.651 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.379 11.057 10.108 1.00 0.00 H new TER 1150 LYS A 76