USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 735 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 97 THR OG1 : rot 180:sc= -0.106 USER MOD Set 1.2: A 98 HIS : no HD1:sc= -0.961 K(o=-1.1,f=-2.2!) 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 GLN : amide:sc= -0.443 K(o=-0.44,f=-2.4!) USER MOD Single : A 5 HIS : no HE2:sc= -5.78 K(o=-5.8,f=-11!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 11 THR OG1 : rot 170:sc= -0.284 USER MOD Single : A 16 SER OG : rot 180:sc= -0.629 USER MOD Single : A 21 CYS SG : rot -150:sc= -1.33 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0404 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.858 USER MOD Single : A 34 GLN : amide:sc= -0.638 K(o=-0.64,f=-2.7!) USER MOD Single : A 35 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.9) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 100:sc= -0.689 USER MOD Single : A 41 SER OG : rot -131:sc= -0.227 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.0518 USER MOD Single : A 55 SER OG : rot 178:sc= -0.851 USER MOD Single : A 59 TYR OH : rot -140:sc= -0.546 USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0155) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 97:sc= 1.08 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -69:sc= 0.112 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -17:sc= 0.352! USER MOD Single : A 96 TYR OH : rot -36:sc= -0.978 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.034 -20.684 -4.291 1.00 0.00 N ATOM 2 CA MET A 1 4.658 -19.643 -5.160 1.00 0.00 C ATOM 3 C MET A 1 4.525 -18.263 -4.512 1.00 0.00 C ATOM 4 O MET A 1 3.496 -17.926 -3.956 1.00 0.00 O ATOM 5 CB MET A 1 3.873 -19.698 -6.470 1.00 0.00 C ATOM 6 CG MET A 1 4.683 -19.025 -7.579 1.00 0.00 C ATOM 7 SD MET A 1 5.966 -20.160 -8.162 1.00 0.00 S ATOM 8 CE MET A 1 5.881 -19.718 -9.915 1.00 0.00 C ATOM 0 H1 MET A 1 4.131 -21.616 -4.742 1.00 0.00 H new ATOM 0 H2 MET A 1 4.510 -20.695 -3.366 1.00 0.00 H new ATOM 0 H3 MET A 1 3.026 -20.467 -4.158 1.00 0.00 H new ATOM 0 HA MET A 1 5.722 -19.819 -5.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.662 -20.734 -6.737 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.912 -19.197 -6.352 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.028 -18.745 -8.404 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.137 -18.107 -7.207 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.604 -20.311 -10.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.878 -19.918 -10.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.109 -18.659 -10.035 1.00 0.00 H new ATOM 20 N GLN A 2 5.560 -17.465 -4.581 1.00 0.00 N ATOM 21 CA GLN A 2 5.504 -16.103 -3.973 1.00 0.00 C ATOM 22 C GLN A 2 5.301 -15.046 -5.062 1.00 0.00 C ATOM 23 O GLN A 2 5.719 -15.219 -6.191 1.00 0.00 O ATOM 24 CB GLN A 2 6.862 -15.919 -3.293 1.00 0.00 C ATOM 25 CG GLN A 2 6.852 -16.628 -1.938 1.00 0.00 C ATOM 26 CD GLN A 2 7.401 -18.047 -2.099 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.208 -18.302 -2.970 1.00 0.00 O ATOM 28 NE2 GLN A 2 6.992 -18.987 -1.292 1.00 0.00 N ATOM 0 H GLN A 2 6.443 -17.700 -5.034 1.00 0.00 H new ATOM 0 HA GLN A 2 4.678 -15.997 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.654 -16.325 -3.922 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.073 -14.858 -3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.456 -16.072 -1.221 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.837 -16.662 -1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.314 -18.772 -0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.350 -19.937 -1.392 1.00 0.00 H new ATOM 37 N ARG A 3 4.660 -13.955 -4.728 1.00 0.00 N ATOM 38 CA ARG A 3 4.421 -12.881 -5.738 1.00 0.00 C ATOM 39 C ARG A 3 5.409 -11.728 -5.530 1.00 0.00 C ATOM 40 O ARG A 3 5.633 -11.286 -4.418 1.00 0.00 O ATOM 41 CB ARG A 3 2.988 -12.411 -5.485 1.00 0.00 C ATOM 42 CG ARG A 3 2.016 -13.295 -6.270 1.00 0.00 C ATOM 43 CD ARG A 3 1.790 -14.604 -5.512 1.00 0.00 C ATOM 44 NE ARG A 3 0.822 -15.370 -6.345 1.00 0.00 N ATOM 45 CZ ARG A 3 -0.436 -15.420 -6.004 1.00 0.00 C ATOM 46 NH1 ARG A 3 -0.774 -15.861 -4.824 1.00 0.00 N ATOM 47 NH2 ARG A 3 -1.357 -15.030 -6.844 1.00 0.00 N ATOM 0 H ARG A 3 4.291 -13.762 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 3 4.559 -13.237 -6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 3 2.761 -12.459 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 3 2.876 -11.370 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.068 -12.776 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.416 -13.502 -7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 3 2.723 -15.153 -5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 3 1.392 -14.419 -4.514 1.00 0.00 H new ATOM 0 HE ARG A 3 1.143 -15.856 -7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.055 -16.167 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.758 -15.900 -4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.093 -14.686 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.341 -15.069 -6.577 1.00 0.00 H new ATOM 61 N VAL A 4 5.996 -11.242 -6.594 1.00 0.00 N ATOM 62 CA VAL A 4 6.971 -10.116 -6.467 1.00 0.00 C ATOM 63 C VAL A 4 6.235 -8.773 -6.499 1.00 0.00 C ATOM 64 O VAL A 4 5.125 -8.685 -6.991 1.00 0.00 O ATOM 65 CB VAL A 4 7.924 -10.259 -7.663 1.00 0.00 C ATOM 66 CG1 VAL A 4 7.143 -10.172 -8.977 1.00 0.00 C ATOM 67 CG2 VAL A 4 8.973 -9.141 -7.619 1.00 0.00 C ATOM 0 H VAL A 4 5.842 -11.576 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 4 7.517 -10.148 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 4 8.417 -11.229 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.831 -10.275 -9.816 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.403 -10.971 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.639 -9.208 -9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.649 -9.243 -8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.475 -8.173 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.542 -9.212 -6.692 1.00 0.00 H new ATOM 77 N HIS A 5 6.853 -7.724 -6.022 1.00 0.00 N ATOM 78 CA HIS A 5 6.191 -6.380 -6.077 1.00 0.00 C ATOM 79 C HIS A 5 7.224 -5.314 -6.445 1.00 0.00 C ATOM 80 O HIS A 5 8.391 -5.422 -6.121 1.00 0.00 O ATOM 81 CB HIS A 5 5.599 -6.085 -4.689 1.00 0.00 C ATOM 82 CG HIS A 5 4.942 -7.312 -4.103 1.00 0.00 C ATOM 83 ND1 HIS A 5 3.855 -7.928 -4.706 1.00 0.00 N ATOM 84 CD2 HIS A 5 5.205 -8.043 -2.972 1.00 0.00 C ATOM 85 CE1 HIS A 5 3.510 -8.980 -3.941 1.00 0.00 C ATOM 86 NE2 HIS A 5 4.300 -9.095 -2.871 1.00 0.00 N ATOM 0 H HIS A 5 7.781 -7.736 -5.599 1.00 0.00 H new ATOM 0 HA HIS A 5 5.403 -6.372 -6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.387 -5.737 -4.021 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.868 -5.280 -4.766 1.00 0.00 H new ATOM 0 HD1 HIS A 5 3.400 -7.637 -5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.995 -7.833 -2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.693 -9.650 -4.165 1.00 0.00 H new ATOM 94 N THR A 6 6.790 -4.279 -7.104 1.00 0.00 N ATOM 95 CA THR A 6 7.715 -3.173 -7.493 1.00 0.00 C ATOM 96 C THR A 6 7.094 -1.843 -7.074 1.00 0.00 C ATOM 97 O THR A 6 6.039 -1.469 -7.553 1.00 0.00 O ATOM 98 CB THR A 6 7.833 -3.262 -9.017 1.00 0.00 C ATOM 99 OG1 THR A 6 8.217 -4.579 -9.383 1.00 0.00 O ATOM 100 CG2 THR A 6 8.882 -2.266 -9.509 1.00 0.00 C ATOM 0 H THR A 6 5.821 -4.148 -7.395 1.00 0.00 H new ATOM 0 HA THR A 6 8.693 -3.248 -7.018 1.00 0.00 H new ATOM 0 HB THR A 6 6.871 -3.024 -9.471 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.292 -4.639 -10.358 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.965 -2.331 -10.594 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.585 -1.256 -9.227 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.846 -2.500 -9.057 1.00 0.00 H new ATOM 108 N ILE A 7 7.709 -1.150 -6.150 1.00 0.00 N ATOM 109 CA ILE A 7 7.119 0.124 -5.661 1.00 0.00 C ATOM 110 C ILE A 7 7.913 1.338 -6.166 1.00 0.00 C ATOM 111 O ILE A 7 9.062 1.532 -5.815 1.00 0.00 O ATOM 112 CB ILE A 7 7.180 -0.034 -4.115 1.00 0.00 C ATOM 113 CG1 ILE A 7 5.766 -0.238 -3.576 1.00 0.00 C ATOM 114 CG2 ILE A 7 7.816 1.178 -3.397 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.895 0.993 -3.865 1.00 0.00 C ATOM 0 H ILE A 7 8.593 -1.414 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 7 6.105 0.303 -6.019 1.00 0.00 H new ATOM 0 HB ILE A 7 7.815 -0.896 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.320 -1.121 -4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.803 -0.420 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.826 1.000 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.837 1.316 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.234 2.074 -3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.891 0.828 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.332 1.869 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.842 1.157 -4.941 1.00 0.00 H new ATOM 127 N THR A 8 7.275 2.183 -6.926 1.00 0.00 N ATOM 128 CA THR A 8 7.942 3.429 -7.391 1.00 0.00 C ATOM 129 C THR A 8 7.239 4.577 -6.676 1.00 0.00 C ATOM 130 O THR A 8 6.114 4.913 -6.998 1.00 0.00 O ATOM 131 CB THR A 8 7.699 3.487 -8.902 1.00 0.00 C ATOM 132 OG1 THR A 8 8.201 2.302 -9.505 1.00 0.00 O ATOM 133 CG2 THR A 8 8.415 4.705 -9.488 1.00 0.00 C ATOM 0 H THR A 8 6.314 2.063 -7.247 1.00 0.00 H new ATOM 0 HA THR A 8 9.011 3.475 -7.186 1.00 0.00 H new ATOM 0 HB THR A 8 6.630 3.569 -9.098 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.045 2.336 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.242 4.746 -10.563 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.029 5.612 -9.023 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.485 4.626 -9.295 1.00 0.00 H new ATOM 141 N ALA A 9 7.862 5.149 -5.677 1.00 0.00 N ATOM 142 CA ALA A 9 7.179 6.230 -4.916 1.00 0.00 C ATOM 143 C ALA A 9 7.986 7.522 -4.869 1.00 0.00 C ATOM 144 O ALA A 9 9.111 7.551 -4.403 1.00 0.00 O ATOM 145 CB ALA A 9 7.010 5.662 -3.507 1.00 0.00 C ATOM 0 H ALA A 9 8.803 4.916 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 9 6.235 6.499 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.512 6.398 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.408 4.754 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.989 5.428 -3.089 1.00 0.00 H new ATOM 151 N VAL A 10 7.388 8.601 -5.298 1.00 0.00 N ATOM 152 CA VAL A 10 8.080 9.919 -5.228 1.00 0.00 C ATOM 153 C VAL A 10 7.219 10.882 -4.433 1.00 0.00 C ATOM 154 O VAL A 10 6.018 10.971 -4.631 1.00 0.00 O ATOM 155 CB VAL A 10 8.233 10.433 -6.662 1.00 0.00 C ATOM 156 CG1 VAL A 10 8.974 11.791 -6.651 1.00 0.00 C ATOM 157 CG2 VAL A 10 9.034 9.422 -7.484 1.00 0.00 C ATOM 0 H VAL A 10 6.449 8.626 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 10 9.054 9.829 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 10 7.246 10.563 -7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.082 12.155 -7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.403 12.513 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.961 11.664 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.143 9.788 -8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.020 9.291 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.511 8.466 -7.495 1.00 0.00 H new ATOM 167 N THR A 11 7.825 11.616 -3.556 1.00 0.00 N ATOM 168 CA THR A 11 7.051 12.597 -2.768 1.00 0.00 C ATOM 169 C THR A 11 7.079 13.918 -3.501 1.00 0.00 C ATOM 170 O THR A 11 8.130 14.392 -3.898 1.00 0.00 O ATOM 171 CB THR A 11 7.724 12.751 -1.397 1.00 0.00 C ATOM 172 OG1 THR A 11 8.857 13.603 -1.508 1.00 0.00 O ATOM 173 CG2 THR A 11 8.161 11.391 -0.839 1.00 0.00 C ATOM 0 H THR A 11 8.823 11.579 -3.351 1.00 0.00 H new ATOM 0 HA THR A 11 6.019 12.270 -2.636 1.00 0.00 H new ATOM 0 HB THR A 11 6.998 13.189 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.186 13.828 -0.613 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.634 11.532 0.133 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.289 10.746 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.870 10.927 -1.525 1.00 0.00 H new ATOM 181 N GLU A 12 5.950 14.539 -3.638 1.00 0.00 N ATOM 182 CA GLU A 12 5.928 15.872 -4.301 1.00 0.00 C ATOM 183 C GLU A 12 6.667 16.872 -3.397 1.00 0.00 C ATOM 184 O GLU A 12 7.034 17.944 -3.846 1.00 0.00 O ATOM 185 CB GLU A 12 4.449 16.238 -4.450 1.00 0.00 C ATOM 186 CG GLU A 12 4.037 16.144 -5.921 1.00 0.00 C ATOM 187 CD GLU A 12 4.703 17.271 -6.713 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.696 18.391 -6.228 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.204 16.996 -7.789 1.00 0.00 O ATOM 0 H GLU A 12 5.045 14.189 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 12 6.418 15.878 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.836 15.567 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.276 17.248 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.329 15.177 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.953 16.214 -6.011 1.00 0.00 H new ATOM 196 N ASP A 13 7.021 16.488 -2.177 1.00 0.00 N ATOM 197 CA ASP A 13 7.883 17.379 -1.352 1.00 0.00 C ATOM 198 C ASP A 13 9.246 17.449 -2.074 1.00 0.00 C ATOM 199 O ASP A 13 9.902 18.472 -2.092 1.00 0.00 O ATOM 200 CB ASP A 13 8.015 16.689 0.008 1.00 0.00 C ATOM 201 CG ASP A 13 8.437 17.713 1.063 1.00 0.00 C ATOM 202 OD1 ASP A 13 9.540 18.223 0.956 1.00 0.00 O ATOM 203 OD2 ASP A 13 7.650 17.972 1.958 1.00 0.00 O ATOM 0 H ASP A 13 6.749 15.609 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 13 7.491 18.387 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.066 16.232 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.751 15.887 -0.050 1.00 0.00 H new ATOM 208 N GLY A 14 9.639 16.358 -2.727 1.00 0.00 N ATOM 209 CA GLY A 14 10.914 16.359 -3.510 1.00 0.00 C ATOM 210 C GLY A 14 11.736 15.064 -3.349 1.00 0.00 C ATOM 211 O GLY A 14 12.921 15.065 -3.633 1.00 0.00 O ATOM 0 H GLY A 14 9.125 15.477 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.683 16.504 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.523 17.207 -3.197 1.00 0.00 H new ATOM 215 N GLU A 15 11.151 13.967 -2.932 1.00 0.00 N ATOM 216 CA GLU A 15 11.931 12.709 -2.802 1.00 0.00 C ATOM 217 C GLU A 15 11.459 11.734 -3.892 1.00 0.00 C ATOM 218 O GLU A 15 10.309 11.746 -4.277 1.00 0.00 O ATOM 219 CB GLU A 15 11.599 12.207 -1.396 1.00 0.00 C ATOM 220 CG GLU A 15 12.117 10.785 -1.202 1.00 0.00 C ATOM 221 CD GLU A 15 13.136 10.742 -0.058 1.00 0.00 C ATOM 222 OE1 GLU A 15 12.711 10.707 1.085 1.00 0.00 O ATOM 223 OE2 GLU A 15 14.320 10.744 -0.347 1.00 0.00 O ATOM 0 H GLU A 15 10.166 13.894 -2.677 1.00 0.00 H new ATOM 0 HA GLU A 15 13.007 12.828 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.045 12.868 -0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.521 12.232 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.286 10.115 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.579 10.430 -2.123 1.00 0.00 H new ATOM 230 N SER A 16 12.339 10.910 -4.404 1.00 0.00 N ATOM 231 CA SER A 16 11.925 9.958 -5.489 1.00 0.00 C ATOM 232 C SER A 16 12.639 8.604 -5.375 1.00 0.00 C ATOM 233 O SER A 16 13.853 8.533 -5.392 1.00 0.00 O ATOM 234 CB SER A 16 12.329 10.642 -6.799 1.00 0.00 C ATOM 235 OG SER A 16 12.217 12.056 -6.666 1.00 0.00 O ATOM 0 H SER A 16 13.318 10.853 -4.123 1.00 0.00 H new ATOM 0 HA SER A 16 10.857 9.747 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.353 10.373 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.692 10.294 -7.612 1.00 0.00 H new ATOM 0 HG SER A 16 12.479 12.485 -7.507 1.00 0.00 H new ATOM 241 N LEU A 17 11.891 7.532 -5.215 1.00 0.00 N ATOM 242 CA LEU A 17 12.531 6.188 -5.050 1.00 0.00 C ATOM 243 C LEU A 17 11.750 5.067 -5.737 1.00 0.00 C ATOM 244 O LEU A 17 10.536 5.033 -5.776 1.00 0.00 O ATOM 245 CB LEU A 17 12.550 5.977 -3.516 1.00 0.00 C ATOM 246 CG LEU A 17 12.567 4.490 -3.108 1.00 0.00 C ATOM 247 CD1 LEU A 17 13.429 4.311 -1.857 1.00 0.00 C ATOM 248 CD2 LEU A 17 11.136 4.040 -2.799 1.00 0.00 C ATOM 0 H LEU A 17 10.871 7.533 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 17 13.519 6.158 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.427 6.472 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.675 6.457 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 17 12.979 3.893 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.440 3.260 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.447 4.641 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.015 4.905 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.140 2.989 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.734 4.640 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.514 4.170 -3.685 1.00 0.00 H new ATOM 260 N ARG A 18 12.503 4.114 -6.213 1.00 0.00 N ATOM 261 CA ARG A 18 11.938 2.906 -6.844 1.00 0.00 C ATOM 262 C ARG A 18 12.601 1.714 -6.158 1.00 0.00 C ATOM 263 O ARG A 18 13.771 1.448 -6.362 1.00 0.00 O ATOM 264 CB ARG A 18 12.333 2.986 -8.317 1.00 0.00 C ATOM 265 CG ARG A 18 11.483 2.004 -9.127 1.00 0.00 C ATOM 266 CD ARG A 18 11.777 2.179 -10.618 1.00 0.00 C ATOM 267 NE ARG A 18 11.395 0.879 -11.239 1.00 0.00 N ATOM 268 CZ ARG A 18 12.209 0.289 -12.071 1.00 0.00 C ATOM 269 NH1 ARG A 18 12.333 0.737 -13.289 1.00 0.00 N ATOM 270 NH2 ARG A 18 12.898 -0.748 -11.683 1.00 0.00 N ATOM 0 H ARG A 18 13.522 4.132 -6.185 1.00 0.00 H new ATOM 0 HA ARG A 18 10.855 2.815 -6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.189 4.001 -8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.391 2.751 -8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.701 0.981 -8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.425 2.177 -8.932 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.202 3.003 -11.040 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.830 2.405 -10.789 1.00 0.00 H new ATOM 0 HE ARG A 18 10.497 0.450 -11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.794 1.548 -13.591 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.969 0.276 -13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.800 -1.097 -10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.534 -1.210 -12.333 1.00 0.00 H new ATOM 284 N PHE A 19 11.862 0.991 -5.365 1.00 0.00 N ATOM 285 CA PHE A 19 12.453 -0.200 -4.669 1.00 0.00 C ATOM 286 C PHE A 19 11.846 -1.512 -5.149 1.00 0.00 C ATOM 287 O PHE A 19 10.954 -1.563 -5.975 1.00 0.00 O ATOM 288 CB PHE A 19 12.173 -0.042 -3.180 1.00 0.00 C ATOM 289 CG PHE A 19 13.325 0.640 -2.455 1.00 0.00 C ATOM 290 CD1 PHE A 19 14.244 1.462 -3.133 1.00 0.00 C ATOM 291 CD2 PHE A 19 13.474 0.427 -1.083 1.00 0.00 C ATOM 292 CE1 PHE A 19 15.299 2.061 -2.436 1.00 0.00 C ATOM 293 CE2 PHE A 19 14.531 1.024 -0.387 1.00 0.00 C ATOM 294 CZ PHE A 19 15.443 1.841 -1.064 1.00 0.00 C ATOM 0 H PHE A 19 10.877 1.167 -5.165 1.00 0.00 H new ATOM 0 HA PHE A 19 13.520 -0.239 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.262 0.540 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 19 11.995 -1.022 -2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.135 1.631 -4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.770 -0.201 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 19 16.002 2.693 -2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.643 0.854 0.674 1.00 0.00 H new ATOM 0 HZ PHE A 19 16.258 2.302 -0.526 1.00 0.00 H new ATOM 304 N GLU A 20 12.319 -2.568 -4.562 1.00 0.00 N ATOM 305 CA GLU A 20 11.823 -3.923 -4.846 1.00 0.00 C ATOM 306 C GLU A 20 11.445 -4.555 -3.522 1.00 0.00 C ATOM 307 O GLU A 20 12.112 -4.382 -2.523 1.00 0.00 O ATOM 308 CB GLU A 20 12.999 -4.671 -5.373 1.00 0.00 C ATOM 309 CG GLU A 20 13.501 -4.049 -6.679 1.00 0.00 C ATOM 310 CD GLU A 20 14.371 -5.062 -7.426 1.00 0.00 C ATOM 311 OE1 GLU A 20 13.919 -6.180 -7.612 1.00 0.00 O ATOM 312 OE2 GLU A 20 15.473 -4.700 -7.803 1.00 0.00 O ATOM 0 H GLU A 20 13.064 -2.538 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 20 10.977 -3.925 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.799 -4.667 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.726 -5.713 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.656 -3.751 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.075 -3.147 -6.467 1.00 0.00 H new ATOM 319 N CYS A 21 10.393 -5.284 -3.518 1.00 0.00 N ATOM 320 CA CYS A 21 9.937 -5.964 -2.272 1.00 0.00 C ATOM 321 C CYS A 21 8.974 -7.098 -2.619 1.00 0.00 C ATOM 322 O CYS A 21 8.131 -6.956 -3.481 1.00 0.00 O ATOM 323 CB CYS A 21 9.234 -4.877 -1.456 1.00 0.00 C ATOM 324 SG CYS A 21 7.854 -4.164 -2.403 1.00 0.00 S ATOM 0 H CYS A 21 9.806 -5.451 -4.335 1.00 0.00 H new ATOM 0 HA CYS A 21 10.761 -6.410 -1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.863 -5.298 -0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.945 -4.094 -1.193 1.00 0.00 H new ATOM 0 HG CYS A 21 7.682 -2.924 -2.052 1.00 0.00 H new ATOM 330 N ARG A 22 9.089 -8.220 -1.957 1.00 0.00 N ATOM 331 CA ARG A 22 8.191 -9.346 -2.237 1.00 0.00 C ATOM 332 C ARG A 22 7.289 -9.591 -1.037 1.00 0.00 C ATOM 333 O ARG A 22 7.620 -9.222 0.068 1.00 0.00 O ATOM 334 CB ARG A 22 9.121 -10.520 -2.413 1.00 0.00 C ATOM 335 CG ARG A 22 10.056 -10.291 -3.606 1.00 0.00 C ATOM 336 CD ARG A 22 11.443 -10.853 -3.284 1.00 0.00 C ATOM 337 NE ARG A 22 12.399 -9.869 -3.860 1.00 0.00 N ATOM 338 CZ ARG A 22 13.454 -10.284 -4.507 1.00 0.00 C ATOM 339 NH1 ARG A 22 13.316 -10.932 -5.632 1.00 0.00 N ATOM 340 NH2 ARG A 22 14.646 -10.054 -4.029 1.00 0.00 N ATOM 0 H ARG A 22 9.781 -8.392 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 22 7.553 -9.173 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.708 -10.665 -1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.542 -11.430 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.653 -10.776 -4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.126 -9.226 -3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.586 -10.960 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.581 -11.841 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 22 12.230 -8.869 -3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.384 -11.114 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.140 -11.257 -6.138 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.754 -9.550 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.470 -10.379 -4.535 1.00 0.00 H new ATOM 354 N SER A 23 6.161 -10.201 -1.257 1.00 0.00 N ATOM 355 CA SER A 23 5.183 -10.484 -0.149 1.00 0.00 C ATOM 356 C SER A 23 4.730 -9.176 0.528 1.00 0.00 C ATOM 357 O SER A 23 3.630 -8.706 0.305 1.00 0.00 O ATOM 358 CB SER A 23 5.910 -11.406 0.845 1.00 0.00 C ATOM 359 OG SER A 23 5.313 -11.291 2.132 1.00 0.00 O ATOM 0 H SER A 23 5.861 -10.526 -2.176 1.00 0.00 H new ATOM 0 HA SER A 23 4.280 -10.961 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.859 -12.439 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.965 -11.139 0.898 1.00 0.00 H new ATOM 0 HG SER A 23 5.777 -11.881 2.762 1.00 0.00 H new ATOM 365 N ASP A 24 5.573 -8.584 1.332 1.00 0.00 N ATOM 366 CA ASP A 24 5.210 -7.301 2.010 1.00 0.00 C ATOM 367 C ASP A 24 5.264 -6.153 0.995 1.00 0.00 C ATOM 368 O ASP A 24 6.320 -5.656 0.652 1.00 0.00 O ATOM 369 CB ASP A 24 6.255 -7.113 3.119 1.00 0.00 C ATOM 370 CG ASP A 24 7.668 -7.093 2.522 1.00 0.00 C ATOM 371 OD1 ASP A 24 8.210 -8.162 2.301 1.00 0.00 O ATOM 372 OD2 ASP A 24 8.179 -6.008 2.300 1.00 0.00 O ATOM 0 H ASP A 24 6.505 -8.936 1.551 1.00 0.00 H new ATOM 0 HA ASP A 24 4.202 -7.315 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.065 -6.182 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.172 -7.920 3.847 1.00 0.00 H new ATOM 377 N GLU A 25 4.128 -5.760 0.485 1.00 0.00 N ATOM 378 CA GLU A 25 4.086 -4.676 -0.543 1.00 0.00 C ATOM 379 C GLU A 25 4.125 -3.276 0.075 1.00 0.00 C ATOM 380 O GLU A 25 4.394 -2.311 -0.616 1.00 0.00 O ATOM 381 CB GLU A 25 2.766 -4.881 -1.270 1.00 0.00 C ATOM 382 CG GLU A 25 2.947 -4.572 -2.756 1.00 0.00 C ATOM 383 CD GLU A 25 1.854 -5.277 -3.562 1.00 0.00 C ATOM 384 OE1 GLU A 25 1.941 -6.485 -3.711 1.00 0.00 O ATOM 385 OE2 GLU A 25 0.949 -4.597 -4.015 1.00 0.00 O ATOM 0 H GLU A 25 3.218 -6.146 0.738 1.00 0.00 H new ATOM 0 HA GLU A 25 4.955 -4.734 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.423 -5.908 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.000 -4.233 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.899 -3.496 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.930 -4.903 -3.090 1.00 0.00 H new ATOM 392 N ASP A 26 3.855 -3.140 1.357 1.00 0.00 N ATOM 393 CA ASP A 26 3.874 -1.796 2.007 1.00 0.00 C ATOM 394 C ASP A 26 5.171 -1.081 1.655 1.00 0.00 C ATOM 395 O ASP A 26 6.253 -1.527 1.980 1.00 0.00 O ATOM 396 CB ASP A 26 3.809 -2.066 3.508 1.00 0.00 C ATOM 397 CG ASP A 26 2.538 -2.850 3.846 1.00 0.00 C ATOM 398 OD1 ASP A 26 1.461 -2.332 3.596 1.00 0.00 O ATOM 399 OD2 ASP A 26 2.663 -3.956 4.348 1.00 0.00 O ATOM 0 H ASP A 26 3.621 -3.913 1.981 1.00 0.00 H new ATOM 0 HA ASP A 26 3.047 -1.166 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.688 -2.629 3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.821 -1.124 4.056 1.00 0.00 H new ATOM 404 N VAL A 27 5.052 0.056 1.046 1.00 0.00 N ATOM 405 CA VAL A 27 6.265 0.877 0.715 1.00 0.00 C ATOM 406 C VAL A 27 7.039 1.126 2.020 1.00 0.00 C ATOM 407 O VAL A 27 8.239 1.316 1.998 1.00 0.00 O ATOM 408 CB VAL A 27 5.732 2.210 0.134 1.00 0.00 C ATOM 409 CG1 VAL A 27 4.770 1.929 -1.028 1.00 0.00 C ATOM 410 CG2 VAL A 27 4.995 3.021 1.218 1.00 0.00 C ATOM 0 H VAL A 27 4.164 0.466 0.756 1.00 0.00 H new ATOM 0 HA VAL A 27 6.930 0.389 0.003 1.00 0.00 H new ATOM 0 HB VAL A 27 6.583 2.789 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.400 2.872 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.295 1.382 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.930 1.333 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.629 3.954 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.154 2.441 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.681 3.243 2.036 1.00 0.00 H new ATOM 420 N ILE A 28 6.376 1.067 3.151 1.00 0.00 N ATOM 421 CA ILE A 28 7.111 1.234 4.430 1.00 0.00 C ATOM 422 C ILE A 28 7.890 -0.055 4.651 1.00 0.00 C ATOM 423 O ILE A 28 9.099 -0.046 4.722 1.00 0.00 O ATOM 424 CB ILE A 28 6.041 1.430 5.520 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.092 2.587 5.143 1.00 0.00 C ATOM 426 CG2 ILE A 28 6.712 1.722 6.868 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.853 3.917 5.101 1.00 0.00 C ATOM 0 H ILE A 28 5.371 0.912 3.237 1.00 0.00 H new ATOM 0 HA ILE A 28 7.800 2.079 4.439 1.00 0.00 H new ATOM 0 HB ILE A 28 5.457 0.513 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.638 2.391 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.280 2.649 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.948 1.859 7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.355 0.886 7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.311 2.629 6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.167 4.721 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.285 4.120 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.649 3.857 4.359 1.00 0.00 H new ATOM 439 N THR A 29 7.198 -1.163 4.767 1.00 0.00 N ATOM 440 CA THR A 29 7.887 -2.474 5.003 1.00 0.00 C ATOM 441 C THR A 29 8.962 -2.715 3.947 1.00 0.00 C ATOM 442 O THR A 29 10.103 -2.979 4.271 1.00 0.00 O ATOM 443 CB THR A 29 6.787 -3.532 4.900 1.00 0.00 C ATOM 444 OG1 THR A 29 5.696 -3.161 5.730 1.00 0.00 O ATOM 445 CG2 THR A 29 7.336 -4.888 5.348 1.00 0.00 C ATOM 0 H THR A 29 6.181 -1.217 4.708 1.00 0.00 H new ATOM 0 HA THR A 29 8.388 -2.500 5.971 1.00 0.00 H new ATOM 0 HB THR A 29 6.448 -3.605 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.990 -3.837 5.664 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.551 -5.641 5.274 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.172 -5.171 4.708 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.677 -4.819 6.381 1.00 0.00 H new ATOM 453 N ALA A 30 8.613 -2.629 2.689 1.00 0.00 N ATOM 454 CA ALA A 30 9.627 -2.854 1.610 1.00 0.00 C ATOM 455 C ALA A 30 10.869 -1.983 1.821 1.00 0.00 C ATOM 456 O ALA A 30 11.962 -2.497 1.961 1.00 0.00 O ATOM 457 CB ALA A 30 8.913 -2.449 0.322 1.00 0.00 C ATOM 0 H ALA A 30 7.672 -2.413 2.361 1.00 0.00 H new ATOM 0 HA ALA A 30 9.977 -3.886 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.586 -2.583 -0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.029 -3.072 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.613 -1.403 0.386 1.00 0.00 H new ATOM 463 N ALA A 31 10.726 -0.677 1.843 1.00 0.00 N ATOM 464 CA ALA A 31 11.934 0.179 2.036 1.00 0.00 C ATOM 465 C ALA A 31 12.381 0.120 3.491 1.00 0.00 C ATOM 466 O ALA A 31 13.504 0.478 3.775 1.00 0.00 O ATOM 467 CB ALA A 31 11.492 1.596 1.666 1.00 0.00 C ATOM 0 H ALA A 31 9.843 -0.178 1.738 1.00 0.00 H new ATOM 0 HA ALA A 31 12.775 -0.150 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.331 2.281 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.153 1.613 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.676 1.905 2.320 1.00 0.00 H new ATOM 473 N LEU A 32 11.619 -0.473 4.378 1.00 0.00 N ATOM 474 CA LEU A 32 12.141 -0.693 5.739 1.00 0.00 C ATOM 475 C LEU A 32 13.013 -1.959 5.676 1.00 0.00 C ATOM 476 O LEU A 32 13.978 -2.111 6.399 1.00 0.00 O ATOM 477 CB LEU A 32 10.910 -0.957 6.585 1.00 0.00 C ATOM 478 CG LEU A 32 10.374 0.344 7.131 1.00 0.00 C ATOM 479 CD1 LEU A 32 9.029 0.093 7.813 1.00 0.00 C ATOM 480 CD2 LEU A 32 11.355 0.927 8.154 1.00 0.00 C ATOM 0 H LEU A 32 10.670 -0.807 4.210 1.00 0.00 H new ATOM 0 HA LEU A 32 12.727 0.136 6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.146 -1.453 5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.159 -1.631 7.405 1.00 0.00 H new ATOM 0 HG LEU A 32 10.248 1.049 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.641 1.032 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.324 -0.315 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.162 -0.617 8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.960 1.866 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.487 0.222 8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.316 1.109 7.674 1.00 0.00 H new ATOM 492 N ARG A 33 12.654 -2.871 4.793 1.00 0.00 N ATOM 493 CA ARG A 33 13.408 -4.143 4.627 1.00 0.00 C ATOM 494 C ARG A 33 14.611 -3.954 3.702 1.00 0.00 C ATOM 495 O ARG A 33 15.572 -4.698 3.765 1.00 0.00 O ATOM 496 CB ARG A 33 12.405 -5.089 3.954 1.00 0.00 C ATOM 497 CG ARG A 33 12.652 -6.523 4.423 1.00 0.00 C ATOM 498 CD ARG A 33 12.078 -7.505 3.400 1.00 0.00 C ATOM 499 NE ARG A 33 12.337 -8.854 3.977 1.00 0.00 N ATOM 500 CZ ARG A 33 11.597 -9.867 3.622 1.00 0.00 C ATOM 501 NH1 ARG A 33 11.622 -10.293 2.389 1.00 0.00 N ATOM 502 NH2 ARG A 33 10.832 -10.456 4.501 1.00 0.00 N ATOM 0 H ARG A 33 11.851 -2.775 4.172 1.00 0.00 H new ATOM 0 HA ARG A 33 13.790 -4.513 5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.386 -4.787 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.505 -5.029 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.721 -6.696 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.187 -6.683 5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.012 -7.339 3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.560 -7.391 2.429 1.00 0.00 H new ATOM 0 HE ARG A 33 13.093 -8.985 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.221 -9.834 1.703 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.043 -11.086 2.111 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.813 -10.124 5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.253 -11.249 4.224 1.00 0.00 H new ATOM 516 N GLN A 34 14.564 -2.964 2.845 1.00 0.00 N ATOM 517 CA GLN A 34 15.707 -2.728 1.918 1.00 0.00 C ATOM 518 C GLN A 34 16.834 -1.983 2.643 1.00 0.00 C ATOM 519 O GLN A 34 17.969 -2.420 2.643 1.00 0.00 O ATOM 520 CB GLN A 34 15.136 -1.885 0.784 1.00 0.00 C ATOM 521 CG GLN A 34 14.176 -2.729 -0.033 1.00 0.00 C ATOM 522 CD GLN A 34 14.961 -3.688 -0.908 1.00 0.00 C ATOM 523 OE1 GLN A 34 16.129 -3.482 -1.177 1.00 0.00 O ATOM 524 NE2 GLN A 34 14.364 -4.735 -1.370 1.00 0.00 N ATOM 0 H GLN A 34 13.785 -2.313 2.749 1.00 0.00 H new ATOM 0 HA GLN A 34 16.137 -3.659 1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.620 -1.014 1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.941 -1.513 0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.511 -3.285 0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.548 -2.088 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.384 -4.905 -1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.872 -5.392 -1.962 1.00 0.00 H new ATOM 533 N ASN A 35 16.531 -0.862 3.274 1.00 0.00 N ATOM 534 CA ASN A 35 17.585 -0.081 4.016 1.00 0.00 C ATOM 535 C ASN A 35 17.035 1.270 4.503 1.00 0.00 C ATOM 536 O ASN A 35 17.489 1.809 5.494 1.00 0.00 O ATOM 537 CB ASN A 35 18.738 0.162 3.020 1.00 0.00 C ATOM 538 CG ASN A 35 19.959 -0.664 3.432 1.00 0.00 C ATOM 539 OD1 ASN A 35 20.241 -0.809 4.606 1.00 0.00 O ATOM 540 ND2 ASN A 35 20.703 -1.214 2.510 1.00 0.00 N ATOM 0 H ASN A 35 15.596 -0.455 3.306 1.00 0.00 H new ATOM 0 HA ASN A 35 17.916 -0.635 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 35 18.425 -0.112 2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 35 18.994 1.221 2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 35 21.520 -1.765 2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 35 20.467 -1.093 1.525 1.00 0.00 H new ATOM 547 N ILE A 36 16.074 1.823 3.808 1.00 0.00 N ATOM 548 CA ILE A 36 15.503 3.147 4.214 1.00 0.00 C ATOM 549 C ILE A 36 14.433 2.939 5.289 1.00 0.00 C ATOM 550 O ILE A 36 14.102 1.825 5.635 1.00 0.00 O ATOM 551 CB ILE A 36 14.893 3.711 2.919 1.00 0.00 C ATOM 552 CG1 ILE A 36 16.003 3.893 1.875 1.00 0.00 C ATOM 553 CG2 ILE A 36 14.231 5.066 3.187 1.00 0.00 C ATOM 554 CD1 ILE A 36 15.395 4.363 0.549 1.00 0.00 C ATOM 0 H ILE A 36 15.657 1.414 2.972 1.00 0.00 H new ATOM 0 HA ILE A 36 16.243 3.824 4.640 1.00 0.00 H new ATOM 0 HB ILE A 36 14.140 3.014 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.733 4.621 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 36 16.535 2.953 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.804 5.452 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.441 4.945 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.976 5.767 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.187 4.491 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.682 3.620 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.883 5.313 0.700 1.00 0.00 H new ATOM 566 N PHE A 37 13.902 3.999 5.839 1.00 0.00 N ATOM 567 CA PHE A 37 12.861 3.850 6.891 1.00 0.00 C ATOM 568 C PHE A 37 11.923 5.060 6.870 1.00 0.00 C ATOM 569 O PHE A 37 12.103 6.039 7.565 1.00 0.00 O ATOM 570 CB PHE A 37 13.625 3.754 8.221 1.00 0.00 C ATOM 571 CG PHE A 37 14.478 4.989 8.442 1.00 0.00 C ATOM 572 CD1 PHE A 37 15.647 5.184 7.696 1.00 0.00 C ATOM 573 CD2 PHE A 37 14.099 5.934 9.406 1.00 0.00 C ATOM 574 CE1 PHE A 37 16.434 6.322 7.910 1.00 0.00 C ATOM 575 CE2 PHE A 37 14.886 7.072 9.618 1.00 0.00 C ATOM 576 CZ PHE A 37 16.054 7.265 8.871 1.00 0.00 C ATOM 0 H PHE A 37 14.146 4.961 5.603 1.00 0.00 H new ATOM 0 HA PHE A 37 12.239 2.968 6.737 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.919 3.642 9.044 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.257 2.866 8.220 1.00 0.00 H new ATOM 0 HD1 PHE A 37 15.942 4.456 6.955 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.200 5.784 9.985 1.00 0.00 H new ATOM 0 HE1 PHE A 37 17.335 6.472 7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 37 14.592 7.801 10.358 1.00 0.00 H new ATOM 0 HZ PHE A 37 16.662 8.142 9.037 1.00 0.00 H new ATOM 586 N LEU A 38 10.929 4.981 6.021 1.00 0.00 N ATOM 587 CA LEU A 38 9.956 6.097 5.862 1.00 0.00 C ATOM 588 C LEU A 38 8.769 5.948 6.810 1.00 0.00 C ATOM 589 O LEU A 38 8.675 5.000 7.565 1.00 0.00 O ATOM 590 CB LEU A 38 9.498 6.102 4.390 1.00 0.00 C ATOM 591 CG LEU A 38 9.051 4.704 3.929 1.00 0.00 C ATOM 592 CD1 LEU A 38 7.803 4.827 3.052 1.00 0.00 C ATOM 593 CD2 LEU A 38 10.173 4.048 3.115 1.00 0.00 C ATOM 0 H LEU A 38 10.751 4.175 5.422 1.00 0.00 H new ATOM 0 HA LEU A 38 10.429 7.045 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.675 6.806 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.313 6.451 3.756 1.00 0.00 H new ATOM 0 HG LEU A 38 8.826 4.094 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.488 3.836 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.001 5.293 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.030 5.440 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.855 3.058 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.397 4.662 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.066 3.957 3.734 1.00 0.00 H new ATOM 605 N MET A 39 7.863 6.886 6.766 1.00 0.00 N ATOM 606 CA MET A 39 6.658 6.832 7.651 1.00 0.00 C ATOM 607 C MET A 39 5.703 7.973 7.293 1.00 0.00 C ATOM 608 O MET A 39 6.096 9.123 7.242 1.00 0.00 O ATOM 609 CB MET A 39 7.187 7.015 9.078 1.00 0.00 C ATOM 610 CG MET A 39 6.277 6.273 10.060 1.00 0.00 C ATOM 611 SD MET A 39 6.397 7.043 11.694 1.00 0.00 S ATOM 612 CE MET A 39 7.320 5.715 12.504 1.00 0.00 C ATOM 0 H MET A 39 7.904 7.697 6.149 1.00 0.00 H new ATOM 0 HA MET A 39 6.111 5.896 7.541 1.00 0.00 H new ATOM 0 HB2 MET A 39 8.206 6.634 9.151 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.224 8.075 9.330 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.246 6.300 9.708 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.566 5.224 10.119 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.508 5.984 13.543 1.00 0.00 H new ATOM 0 HE2 MET A 39 6.739 4.793 12.467 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.270 5.566 11.990 1.00 0.00 H new ATOM 622 N SER A 40 4.452 7.665 7.047 1.00 0.00 N ATOM 623 CA SER A 40 3.470 8.737 6.690 1.00 0.00 C ATOM 624 C SER A 40 3.392 9.776 7.820 1.00 0.00 C ATOM 625 O SER A 40 4.008 10.823 7.743 1.00 0.00 O ATOM 626 CB SER A 40 2.131 8.020 6.512 1.00 0.00 C ATOM 627 OG SER A 40 2.194 7.196 5.354 1.00 0.00 O ATOM 0 H SER A 40 4.069 6.720 7.078 1.00 0.00 H new ATOM 0 HA SER A 40 3.755 9.274 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.908 7.416 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.325 8.747 6.412 1.00 0.00 H new ATOM 0 HG SER A 40 2.362 6.268 5.621 1.00 0.00 H new ATOM 633 N SER A 41 2.654 9.494 8.870 1.00 0.00 N ATOM 634 CA SER A 41 2.557 10.470 9.998 1.00 0.00 C ATOM 635 C SER A 41 1.977 9.792 11.259 1.00 0.00 C ATOM 636 O SER A 41 2.708 9.187 12.023 1.00 0.00 O ATOM 637 CB SER A 41 1.653 11.590 9.475 1.00 0.00 C ATOM 638 OG SER A 41 1.083 12.289 10.573 1.00 0.00 O ATOM 0 H SER A 41 2.119 8.634 8.992 1.00 0.00 H new ATOM 0 HA SER A 41 3.529 10.859 10.300 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.228 12.275 8.853 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.866 11.173 8.847 1.00 0.00 H new ATOM 0 HG SER A 41 0.116 12.376 10.439 1.00 0.00 H new ATOM 644 N CYS A 42 0.683 9.889 11.497 1.00 0.00 N ATOM 645 CA CYS A 42 0.091 9.254 12.718 1.00 0.00 C ATOM 646 C CYS A 42 -0.579 7.915 12.377 1.00 0.00 C ATOM 647 O CYS A 42 -0.595 6.999 13.176 1.00 0.00 O ATOM 648 CB CYS A 42 -0.939 10.264 13.246 1.00 0.00 C ATOM 649 SG CYS A 42 -2.272 10.518 12.039 1.00 0.00 S ATOM 0 H CYS A 42 0.018 10.379 10.899 1.00 0.00 H new ATOM 0 HA CYS A 42 0.855 9.029 13.462 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.357 9.905 14.186 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.448 11.214 13.457 1.00 0.00 H new ATOM 655 N ARG A 43 -1.147 7.806 11.199 1.00 0.00 N ATOM 656 CA ARG A 43 -1.839 6.538 10.791 1.00 0.00 C ATOM 657 C ARG A 43 -2.955 6.195 11.789 1.00 0.00 C ATOM 658 O ARG A 43 -2.966 5.130 12.377 1.00 0.00 O ATOM 659 CB ARG A 43 -0.759 5.448 10.788 1.00 0.00 C ATOM 660 CG ARG A 43 -1.320 4.177 10.149 1.00 0.00 C ATOM 661 CD ARG A 43 -0.419 2.990 10.498 1.00 0.00 C ATOM 662 NE ARG A 43 -0.995 1.835 9.752 1.00 0.00 N ATOM 663 CZ ARG A 43 -0.262 0.782 9.515 1.00 0.00 C ATOM 664 NH1 ARG A 43 0.661 0.821 8.595 1.00 0.00 N ATOM 665 NH2 ARG A 43 -0.453 -0.312 10.201 1.00 0.00 N ATOM 0 H ARG A 43 -1.162 8.546 10.497 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.306 6.633 9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.116 5.790 10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.432 5.242 11.807 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.334 3.995 10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.379 4.297 9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.613 3.177 10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.412 2.802 11.572 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.961 1.868 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.811 1.676 8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.233 -0.003 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.175 -0.343 10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.119 -1.136 10.017 1.00 0.00 H new ATOM 679 N GLU A 44 -3.893 7.092 11.978 1.00 0.00 N ATOM 680 CA GLU A 44 -5.014 6.825 12.932 1.00 0.00 C ATOM 681 C GLU A 44 -6.317 6.570 12.165 1.00 0.00 C ATOM 682 O GLU A 44 -7.197 5.874 12.635 1.00 0.00 O ATOM 683 CB GLU A 44 -5.129 8.098 13.772 1.00 0.00 C ATOM 684 CG GLU A 44 -4.027 8.113 14.834 1.00 0.00 C ATOM 685 CD GLU A 44 -4.555 7.483 16.126 1.00 0.00 C ATOM 686 OE1 GLU A 44 -5.191 8.192 16.889 1.00 0.00 O ATOM 687 OE2 GLU A 44 -4.313 6.306 16.329 1.00 0.00 O ATOM 0 H GLU A 44 -3.930 7.998 11.512 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.831 5.944 13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.044 8.977 13.133 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.108 8.144 14.249 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.156 7.563 14.478 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.702 9.136 15.022 1.00 0.00 H new ATOM 694 N GLY A 45 -6.436 7.121 10.983 1.00 0.00 N ATOM 695 CA GLY A 45 -7.668 6.912 10.167 1.00 0.00 C ATOM 696 C GLY A 45 -8.713 7.979 10.496 1.00 0.00 C ATOM 697 O GLY A 45 -9.901 7.709 10.486 1.00 0.00 O ATOM 0 H GLY A 45 -5.727 7.710 10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.420 6.951 9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.077 5.921 10.362 1.00 0.00 H new ATOM 701 N GLY A 46 -8.283 9.183 10.802 1.00 0.00 N ATOM 702 CA GLY A 46 -9.261 10.264 11.146 1.00 0.00 C ATOM 703 C GLY A 46 -8.761 11.656 10.705 1.00 0.00 C ATOM 704 O GLY A 46 -9.383 12.653 11.018 1.00 0.00 O ATOM 0 H GLY A 46 -7.302 9.461 10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.217 10.054 10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.436 10.266 12.222 1.00 0.00 H new ATOM 708 N CYS A 47 -7.648 11.747 10.008 1.00 0.00 N ATOM 709 CA CYS A 47 -7.134 13.095 9.587 1.00 0.00 C ATOM 710 C CYS A 47 -7.798 13.563 8.290 1.00 0.00 C ATOM 711 O CYS A 47 -8.320 14.659 8.208 1.00 0.00 O ATOM 712 CB CYS A 47 -5.637 12.905 9.349 1.00 0.00 C ATOM 713 SG CYS A 47 -4.824 12.360 10.869 1.00 0.00 S ATOM 0 H CYS A 47 -7.078 10.954 9.715 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.348 13.847 10.347 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.478 12.170 8.560 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.195 13.841 9.007 1.00 0.00 H new ATOM 719 N ALA A 48 -7.757 12.746 7.262 1.00 0.00 N ATOM 720 CA ALA A 48 -8.357 13.122 5.930 1.00 0.00 C ATOM 721 C ALA A 48 -7.569 14.265 5.261 1.00 0.00 C ATOM 722 O ALA A 48 -7.965 14.765 4.225 1.00 0.00 O ATOM 723 CB ALA A 48 -9.808 13.551 6.203 1.00 0.00 C ATOM 0 H ALA A 48 -7.328 11.821 7.286 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.319 12.276 5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.286 13.834 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.354 12.722 6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.814 14.402 6.884 1.00 0.00 H new ATOM 729 N THR A 49 -6.447 14.670 5.822 1.00 0.00 N ATOM 730 CA THR A 49 -5.637 15.762 5.196 1.00 0.00 C ATOM 731 C THR A 49 -4.508 15.139 4.368 1.00 0.00 C ATOM 732 O THR A 49 -4.219 15.558 3.265 1.00 0.00 O ATOM 733 CB THR A 49 -5.070 16.562 6.371 1.00 0.00 C ATOM 734 OG1 THR A 49 -4.535 15.669 7.338 1.00 0.00 O ATOM 735 CG2 THR A 49 -6.184 17.396 7.006 1.00 0.00 C ATOM 0 H THR A 49 -6.061 14.289 6.686 1.00 0.00 H new ATOM 0 HA THR A 49 -6.222 16.396 4.529 1.00 0.00 H new ATOM 0 HB THR A 49 -4.281 17.224 6.013 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.170 16.181 8.090 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.780 17.966 7.843 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.593 18.082 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.974 16.736 7.364 1.00 0.00 H new ATOM 743 N CYS A 50 -3.885 14.124 4.903 1.00 0.00 N ATOM 744 CA CYS A 50 -2.776 13.417 4.186 1.00 0.00 C ATOM 745 C CYS A 50 -3.331 12.610 3.002 1.00 0.00 C ATOM 746 O CYS A 50 -3.119 11.414 2.915 1.00 0.00 O ATOM 747 CB CYS A 50 -2.134 12.488 5.233 1.00 0.00 C ATOM 748 SG CYS A 50 -3.342 11.274 5.837 1.00 0.00 S ATOM 0 H CYS A 50 -4.100 13.745 5.825 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.048 14.115 3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.280 11.972 4.794 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.755 13.078 6.067 1.00 0.00 H new ATOM 754 N LYS A 51 -4.048 13.238 2.095 1.00 0.00 N ATOM 755 CA LYS A 51 -4.612 12.483 0.937 1.00 0.00 C ATOM 756 C LYS A 51 -3.540 12.218 -0.124 1.00 0.00 C ATOM 757 O LYS A 51 -3.237 13.074 -0.932 1.00 0.00 O ATOM 758 CB LYS A 51 -5.715 13.381 0.371 1.00 0.00 C ATOM 759 CG LYS A 51 -6.866 13.467 1.375 1.00 0.00 C ATOM 760 CD LYS A 51 -8.161 13.812 0.638 1.00 0.00 C ATOM 761 CE LYS A 51 -9.355 13.258 1.419 1.00 0.00 C ATOM 762 NZ LYS A 51 -9.594 11.902 0.848 1.00 0.00 N ATOM 0 H LYS A 51 -4.263 14.235 2.110 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.991 11.507 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.320 14.376 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.074 12.981 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.976 12.518 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.650 14.225 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.253 14.893 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.143 13.391 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.138 13.204 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.232 13.895 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.399 11.458 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.805 11.985 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.745 11.316 0.979 1.00 0.00 H new ATOM 776 N ALA A 52 -2.931 11.064 -0.093 1.00 0.00 N ATOM 777 CA ALA A 52 -1.833 10.763 -1.064 1.00 0.00 C ATOM 778 C ALA A 52 -2.375 10.372 -2.441 1.00 0.00 C ATOM 779 O ALA A 52 -3.569 10.217 -2.597 1.00 0.00 O ATOM 780 CB ALA A 52 -1.061 9.594 -0.444 1.00 0.00 C ATOM 0 H ALA A 52 -3.145 10.313 0.563 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.207 11.640 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.237 9.314 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.667 9.893 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.730 8.742 -0.318 1.00 0.00 H new ATOM 786 N LEU A 53 -1.543 10.236 -3.449 1.00 0.00 N ATOM 787 CA LEU A 53 -2.081 9.883 -4.801 1.00 0.00 C ATOM 788 C LEU A 53 -1.400 8.624 -5.342 1.00 0.00 C ATOM 789 O LEU A 53 -0.291 8.299 -4.969 1.00 0.00 O ATOM 790 CB LEU A 53 -1.762 11.106 -5.659 1.00 0.00 C ATOM 791 CG LEU A 53 -2.138 10.857 -7.125 1.00 0.00 C ATOM 792 CD1 LEU A 53 -3.660 10.722 -7.258 1.00 0.00 C ATOM 793 CD2 LEU A 53 -1.648 12.031 -7.979 1.00 0.00 C ATOM 0 H LEU A 53 -0.531 10.352 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.147 9.658 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.306 11.972 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.700 11.340 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.669 9.934 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.920 10.545 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.005 9.885 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.138 11.640 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.913 11.858 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.116 12.953 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.565 12.119 -7.890 1.00 0.00 H new ATOM 805 N CYS A 54 -2.076 7.903 -6.204 1.00 0.00 N ATOM 806 CA CYS A 54 -1.488 6.652 -6.757 1.00 0.00 C ATOM 807 C CYS A 54 -1.370 6.698 -8.284 1.00 0.00 C ATOM 808 O CYS A 54 -2.370 6.713 -8.979 1.00 0.00 O ATOM 809 CB CYS A 54 -2.457 5.546 -6.342 1.00 0.00 C ATOM 810 SG CYS A 54 -1.743 3.935 -6.751 1.00 0.00 S ATOM 0 H CYS A 54 -3.010 8.131 -6.546 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.477 6.496 -6.381 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.658 5.606 -5.272 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.411 5.673 -6.853 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.566 2.993 -6.397 1.00 0.00 H new ATOM 816 N SER A 55 -0.175 6.735 -8.819 1.00 0.00 N ATOM 817 CA SER A 55 -0.026 6.799 -10.308 1.00 0.00 C ATOM 818 C SER A 55 -0.658 5.553 -10.933 1.00 0.00 C ATOM 819 O SER A 55 -1.558 5.649 -11.748 1.00 0.00 O ATOM 820 CB SER A 55 1.484 6.863 -10.557 1.00 0.00 C ATOM 821 OG SER A 55 1.806 6.220 -11.786 1.00 0.00 O ATOM 0 H SER A 55 0.700 6.724 -8.294 1.00 0.00 H new ATOM 0 HA SER A 55 -0.525 7.659 -10.754 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.812 7.902 -10.585 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.016 6.383 -9.736 1.00 0.00 H new ATOM 0 HG SER A 55 2.769 6.296 -11.952 1.00 0.00 H new ATOM 827 N GLU A 56 -0.201 4.389 -10.552 1.00 0.00 N ATOM 828 CA GLU A 56 -0.779 3.142 -11.110 1.00 0.00 C ATOM 829 C GLU A 56 -0.600 1.991 -10.126 1.00 0.00 C ATOM 830 O GLU A 56 0.195 2.048 -9.209 1.00 0.00 O ATOM 831 CB GLU A 56 0.015 2.865 -12.377 1.00 0.00 C ATOM 832 CG GLU A 56 -0.789 3.297 -13.604 1.00 0.00 C ATOM 833 CD GLU A 56 -0.301 2.529 -14.832 1.00 0.00 C ATOM 834 OE1 GLU A 56 -0.210 1.315 -14.751 1.00 0.00 O ATOM 835 OE2 GLU A 56 -0.022 3.166 -15.835 1.00 0.00 O ATOM 0 H GLU A 56 0.550 4.253 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.847 3.242 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.963 3.402 -12.346 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.252 1.803 -12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.850 3.107 -13.442 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.678 4.369 -13.765 1.00 0.00 H new ATOM 842 N GLY A 57 -1.368 0.964 -10.313 1.00 0.00 N ATOM 843 CA GLY A 57 -1.309 -0.213 -9.399 1.00 0.00 C ATOM 844 C GLY A 57 -2.677 -0.361 -8.723 1.00 0.00 C ATOM 845 O GLY A 57 -3.382 0.603 -8.496 1.00 0.00 O ATOM 0 H GLY A 57 -2.046 0.883 -11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.061 -1.116 -9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.528 -0.075 -8.651 1.00 0.00 H new ATOM 849 N ASP A 58 -3.059 -1.573 -8.441 1.00 0.00 N ATOM 850 CA ASP A 58 -4.396 -1.843 -7.817 1.00 0.00 C ATOM 851 C ASP A 58 -4.356 -1.753 -6.283 1.00 0.00 C ATOM 852 O ASP A 58 -5.243 -2.243 -5.609 1.00 0.00 O ATOM 853 CB ASP A 58 -4.747 -3.265 -8.253 1.00 0.00 C ATOM 854 CG ASP A 58 -6.255 -3.369 -8.489 1.00 0.00 C ATOM 855 OD1 ASP A 58 -6.688 -3.040 -9.582 1.00 0.00 O ATOM 856 OD2 ASP A 58 -6.951 -3.777 -7.575 1.00 0.00 O ATOM 0 H ASP A 58 -2.497 -2.406 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.131 -1.103 -8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.207 -3.521 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.438 -3.978 -7.489 1.00 0.00 H new ATOM 861 N TYR A 59 -3.339 -1.152 -5.725 1.00 0.00 N ATOM 862 CA TYR A 59 -3.237 -1.048 -4.230 1.00 0.00 C ATOM 863 C TYR A 59 -4.490 -0.407 -3.610 1.00 0.00 C ATOM 864 O TYR A 59 -4.924 0.647 -4.039 1.00 0.00 O ATOM 865 CB TYR A 59 -2.032 -0.130 -3.981 1.00 0.00 C ATOM 866 CG TYR A 59 -1.151 -0.663 -2.884 1.00 0.00 C ATOM 867 CD1 TYR A 59 -0.475 -1.869 -3.052 1.00 0.00 C ATOM 868 CD2 TYR A 59 -0.968 0.086 -1.717 1.00 0.00 C ATOM 869 CE1 TYR A 59 0.384 -2.330 -2.058 1.00 0.00 C ATOM 870 CE2 TYR A 59 -0.114 -0.381 -0.714 1.00 0.00 C ATOM 871 CZ TYR A 59 0.565 -1.588 -0.885 1.00 0.00 C ATOM 872 OH TYR A 59 1.416 -2.048 0.099 1.00 0.00 O ATOM 0 H TYR A 59 -2.568 -0.725 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.135 -2.036 -3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.453 -0.031 -4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.382 0.868 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.617 -2.447 -3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.486 1.025 -1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.912 -3.262 -2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.020 0.191 0.192 1.00 0.00 H new ATOM 0 HH TYR A 59 1.021 -1.878 0.979 1.00 0.00 H new ATOM 882 N ASP A 60 -5.089 -1.041 -2.635 1.00 0.00 N ATOM 883 CA ASP A 60 -6.326 -0.485 -2.023 1.00 0.00 C ATOM 884 C ASP A 60 -5.980 0.388 -0.826 1.00 0.00 C ATOM 885 O ASP A 60 -4.865 0.399 -0.355 1.00 0.00 O ATOM 886 CB ASP A 60 -7.142 -1.710 -1.581 1.00 0.00 C ATOM 887 CG ASP A 60 -8.388 -1.846 -2.460 1.00 0.00 C ATOM 888 OD1 ASP A 60 -8.250 -2.309 -3.580 1.00 0.00 O ATOM 889 OD2 ASP A 60 -9.457 -1.486 -1.998 1.00 0.00 O ATOM 0 H ASP A 60 -4.770 -1.924 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.881 0.143 -2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.533 -2.611 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.432 -1.607 -0.535 1.00 0.00 H new ATOM 894 N LEU A 61 -6.933 1.130 -0.351 1.00 0.00 N ATOM 895 CA LEU A 61 -6.688 2.025 0.811 1.00 0.00 C ATOM 896 C LEU A 61 -7.929 2.107 1.714 1.00 0.00 C ATOM 897 O LEU A 61 -8.951 2.653 1.338 1.00 0.00 O ATOM 898 CB LEU A 61 -6.360 3.377 0.174 1.00 0.00 C ATOM 899 CG LEU A 61 -7.565 3.886 -0.625 1.00 0.00 C ATOM 900 CD1 LEU A 61 -8.255 5.019 0.140 1.00 0.00 C ATOM 901 CD2 LEU A 61 -7.107 4.391 -1.999 1.00 0.00 C ATOM 0 H LEU A 61 -7.883 1.157 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.885 1.670 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.095 4.098 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.494 3.279 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.270 3.066 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.111 5.377 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.595 4.650 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.551 5.838 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.969 4.751 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.394 5.205 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.632 3.577 -2.546 1.00 0.00 H new ATOM 913 N LYS A 62 -7.860 1.538 2.890 1.00 0.00 N ATOM 914 CA LYS A 62 -9.046 1.556 3.798 1.00 0.00 C ATOM 915 C LYS A 62 -8.754 2.334 5.083 1.00 0.00 C ATOM 916 O LYS A 62 -7.960 1.920 5.905 1.00 0.00 O ATOM 917 CB LYS A 62 -9.308 0.085 4.121 1.00 0.00 C ATOM 918 CG LYS A 62 -10.295 -0.496 3.106 1.00 0.00 C ATOM 919 CD LYS A 62 -9.524 -1.049 1.905 1.00 0.00 C ATOM 920 CE LYS A 62 -9.039 -2.467 2.218 1.00 0.00 C ATOM 921 NZ LYS A 62 -10.189 -3.349 1.876 1.00 0.00 N ATOM 0 H LYS A 62 -7.037 1.063 3.260 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.901 2.046 3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.373 -0.475 4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.710 -0.010 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.885 -1.287 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.994 0.274 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.163 -1.059 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.675 -0.405 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.157 -2.722 1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.762 -2.567 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.136 -4.222 2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.080 -2.855 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.156 -3.586 0.864 1.00 0.00 H new ATOM 935 N GLY A 63 -9.413 3.458 5.270 1.00 0.00 N ATOM 936 CA GLY A 63 -9.202 4.270 6.516 1.00 0.00 C ATOM 937 C GLY A 63 -9.403 3.364 7.737 1.00 0.00 C ATOM 938 O GLY A 63 -9.764 2.208 7.618 1.00 0.00 O ATOM 0 H GLY A 63 -10.088 3.848 4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.199 4.696 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.903 5.104 6.546 1.00 0.00 H new ATOM 942 N CYS A 64 -9.189 3.897 8.911 1.00 0.00 N ATOM 943 CA CYS A 64 -9.380 3.095 10.153 1.00 0.00 C ATOM 944 C CYS A 64 -10.773 3.366 10.727 1.00 0.00 C ATOM 945 O CYS A 64 -11.455 2.459 11.165 1.00 0.00 O ATOM 946 CB CYS A 64 -8.295 3.577 11.115 1.00 0.00 C ATOM 947 SG CYS A 64 -7.879 2.248 12.271 1.00 0.00 S ATOM 0 H CYS A 64 -8.888 4.860 9.063 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.305 2.022 9.975 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.408 3.879 10.558 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.642 4.454 11.662 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.954 2.657 13.088 1.00 0.00 H new ATOM 953 N SER A 65 -11.201 4.606 10.722 1.00 0.00 N ATOM 954 CA SER A 65 -12.556 4.931 11.263 1.00 0.00 C ATOM 955 C SER A 65 -13.600 4.835 10.151 1.00 0.00 C ATOM 956 O SER A 65 -14.255 5.802 9.808 1.00 0.00 O ATOM 957 CB SER A 65 -12.458 6.366 11.788 1.00 0.00 C ATOM 958 OG SER A 65 -11.172 6.582 12.358 1.00 0.00 O ATOM 0 H SER A 65 -10.672 5.403 10.368 1.00 0.00 H new ATOM 0 HA SER A 65 -12.859 4.239 12.049 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.630 7.073 10.976 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.232 6.544 12.535 1.00 0.00 H new ATOM 0 HG SER A 65 -10.588 7.006 11.695 1.00 0.00 H new ATOM 964 N VAL A 66 -13.758 3.665 9.593 1.00 0.00 N ATOM 965 CA VAL A 66 -14.765 3.476 8.502 1.00 0.00 C ATOM 966 C VAL A 66 -16.167 3.778 9.039 1.00 0.00 C ATOM 967 O VAL A 66 -17.032 4.255 8.328 1.00 0.00 O ATOM 968 CB VAL A 66 -14.647 2.003 8.092 1.00 0.00 C ATOM 969 CG1 VAL A 66 -15.633 1.702 6.959 1.00 0.00 C ATOM 970 CG2 VAL A 66 -13.220 1.718 7.613 1.00 0.00 C ATOM 0 H VAL A 66 -13.233 2.828 9.845 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.592 4.140 7.655 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.877 1.371 8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.547 0.655 6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.649 1.902 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.406 2.335 6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.136 0.671 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -12.990 2.352 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -12.517 1.928 8.419 1.00 0.00 H new ATOM 980 N GLN A 67 -16.387 3.500 10.296 1.00 0.00 N ATOM 981 CA GLN A 67 -17.718 3.756 10.919 1.00 0.00 C ATOM 982 C GLN A 67 -17.946 5.257 11.190 1.00 0.00 C ATOM 983 O GLN A 67 -19.052 5.693 11.441 1.00 0.00 O ATOM 984 CB GLN A 67 -17.698 2.981 12.239 1.00 0.00 C ATOM 985 CG GLN A 67 -17.540 1.487 11.953 1.00 0.00 C ATOM 986 CD GLN A 67 -17.171 0.755 13.244 1.00 0.00 C ATOM 987 OE1 GLN A 67 -16.107 0.175 13.345 1.00 0.00 O ATOM 988 NE2 GLN A 67 -18.008 0.758 14.244 1.00 0.00 N ATOM 0 H GLN A 67 -15.691 3.101 10.926 1.00 0.00 H new ATOM 0 HA GLN A 67 -18.525 3.441 10.258 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.877 3.331 12.865 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -18.620 3.160 12.792 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.468 1.084 11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.767 1.330 11.200 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.901 1.244 14.160 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.770 0.274 15.110 1.00 0.00 H new ATOM 997 N ALA A 68 -16.913 6.053 11.016 1.00 0.00 N ATOM 998 CA ALA A 68 -17.062 7.532 11.121 1.00 0.00 C ATOM 999 C ALA A 68 -17.139 8.043 9.679 1.00 0.00 C ATOM 1000 O ALA A 68 -17.933 8.915 9.368 1.00 0.00 O ATOM 1001 CB ALA A 68 -15.796 8.028 11.820 1.00 0.00 C ATOM 0 H ALA A 68 -15.968 5.732 10.804 1.00 0.00 H new ATOM 0 HA ALA A 68 -17.939 7.866 11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.841 9.112 11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.720 7.567 12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -14.923 7.759 11.225 1.00 0.00 H new ATOM 1007 N LEU A 69 -16.326 7.517 8.794 1.00 0.00 N ATOM 1008 CA LEU A 69 -16.363 7.983 7.374 1.00 0.00 C ATOM 1009 C LEU A 69 -16.035 6.826 6.409 1.00 0.00 C ATOM 1010 O LEU A 69 -15.084 6.104 6.632 1.00 0.00 O ATOM 1011 CB LEU A 69 -15.288 9.069 7.291 1.00 0.00 C ATOM 1012 CG LEU A 69 -15.800 10.241 6.451 1.00 0.00 C ATOM 1013 CD1 LEU A 69 -16.794 11.066 7.274 1.00 0.00 C ATOM 1014 CD2 LEU A 69 -14.622 11.128 6.041 1.00 0.00 C ATOM 0 H LEU A 69 -15.641 6.788 8.994 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.349 8.353 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.028 9.413 8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.379 8.661 6.848 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.296 9.857 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -17.158 11.901 6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.634 10.436 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.298 11.449 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.986 11.963 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.126 11.510 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.913 10.543 5.455 1.00 0.00 H new ATOM 1026 N PRO A 70 -16.817 6.685 5.354 1.00 0.00 N ATOM 1027 CA PRO A 70 -16.552 5.607 4.366 1.00 0.00 C ATOM 1028 C PRO A 70 -15.327 5.978 3.513 1.00 0.00 C ATOM 1029 O PRO A 70 -15.188 7.119 3.121 1.00 0.00 O ATOM 1030 CB PRO A 70 -17.817 5.575 3.514 1.00 0.00 C ATOM 1031 CG PRO A 70 -18.400 6.947 3.634 1.00 0.00 C ATOM 1032 CD PRO A 70 -17.993 7.490 4.980 1.00 0.00 C ATOM 0 HA PRO A 70 -16.336 4.642 4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.588 5.333 2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.514 4.817 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.036 7.591 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -19.486 6.912 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.748 8.551 4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -18.795 7.386 5.710 1.00 0.00 H new ATOM 1040 N PRO A 71 -14.463 5.016 3.259 1.00 0.00 N ATOM 1041 CA PRO A 71 -13.251 5.298 2.463 1.00 0.00 C ATOM 1042 C PRO A 71 -13.519 5.222 0.962 1.00 0.00 C ATOM 1043 O PRO A 71 -12.592 5.263 0.177 1.00 0.00 O ATOM 1044 CB PRO A 71 -12.277 4.213 2.899 1.00 0.00 C ATOM 1045 CG PRO A 71 -13.126 3.082 3.385 1.00 0.00 C ATOM 1046 CD PRO A 71 -14.512 3.611 3.679 1.00 0.00 C ATOM 0 HA PRO A 71 -12.874 6.307 2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.643 3.899 2.070 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.616 4.573 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.173 2.294 2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.691 2.641 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.273 3.058 3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.755 3.521 4.738 1.00 0.00 H new ATOM 1054 N GLU A 72 -14.751 5.133 0.544 1.00 0.00 N ATOM 1055 CA GLU A 72 -15.023 5.078 -0.914 1.00 0.00 C ATOM 1056 C GLU A 72 -14.664 6.438 -1.510 1.00 0.00 C ATOM 1057 O GLU A 72 -13.680 6.587 -2.202 1.00 0.00 O ATOM 1058 CB GLU A 72 -16.522 4.812 -1.009 1.00 0.00 C ATOM 1059 CG GLU A 72 -16.778 3.442 -1.642 1.00 0.00 C ATOM 1060 CD GLU A 72 -16.338 3.467 -3.108 1.00 0.00 C ATOM 1061 OE1 GLU A 72 -17.089 3.977 -3.923 1.00 0.00 O ATOM 1062 OE2 GLU A 72 -15.259 2.974 -3.390 1.00 0.00 O ATOM 0 H GLU A 72 -15.574 5.096 1.146 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.453 4.318 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.969 4.851 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.000 5.590 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.230 2.671 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.836 3.190 -1.573 1.00 0.00 H new ATOM 1069 N GLU A 73 -15.471 7.427 -1.237 1.00 0.00 N ATOM 1070 CA GLU A 73 -15.218 8.791 -1.770 1.00 0.00 C ATOM 1071 C GLU A 73 -13.796 9.232 -1.421 1.00 0.00 C ATOM 1072 O GLU A 73 -13.188 10.021 -2.123 1.00 0.00 O ATOM 1073 CB GLU A 73 -16.257 9.664 -1.074 1.00 0.00 C ATOM 1074 CG GLU A 73 -17.605 9.521 -1.785 1.00 0.00 C ATOM 1075 CD GLU A 73 -18.637 10.429 -1.114 1.00 0.00 C ATOM 1076 OE1 GLU A 73 -18.522 11.635 -1.259 1.00 0.00 O ATOM 1077 OE2 GLU A 73 -19.529 9.902 -0.466 1.00 0.00 O ATOM 0 H GLU A 73 -16.307 7.344 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.300 8.850 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.353 9.370 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.937 10.706 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.502 9.785 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.939 8.484 -1.748 1.00 0.00 H new ATOM 1084 N GLU A 74 -13.257 8.697 -0.358 1.00 0.00 N ATOM 1085 CA GLU A 74 -11.858 9.050 0.028 1.00 0.00 C ATOM 1086 C GLU A 74 -10.874 8.204 -0.774 1.00 0.00 C ATOM 1087 O GLU A 74 -9.759 8.615 -1.037 1.00 0.00 O ATOM 1088 CB GLU A 74 -11.752 8.745 1.526 1.00 0.00 C ATOM 1089 CG GLU A 74 -12.806 9.549 2.301 1.00 0.00 C ATOM 1090 CD GLU A 74 -12.173 10.169 3.548 1.00 0.00 C ATOM 1091 OE1 GLU A 74 -12.153 9.504 4.571 1.00 0.00 O ATOM 1092 OE2 GLU A 74 -11.718 11.297 3.460 1.00 0.00 O ATOM 0 H GLU A 74 -13.723 8.032 0.259 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.623 10.095 -0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.896 7.679 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.754 8.995 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.220 10.332 1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.634 8.900 2.587 1.00 0.00 H new ATOM 1099 N GLU A 75 -11.311 7.052 -1.227 1.00 0.00 N ATOM 1100 CA GLU A 75 -10.438 6.216 -2.082 1.00 0.00 C ATOM 1101 C GLU A 75 -10.499 6.810 -3.489 1.00 0.00 C ATOM 1102 O GLU A 75 -9.500 7.076 -4.121 1.00 0.00 O ATOM 1103 CB GLU A 75 -11.037 4.805 -2.042 1.00 0.00 C ATOM 1104 CG GLU A 75 -10.284 3.890 -3.016 1.00 0.00 C ATOM 1105 CD GLU A 75 -10.135 2.497 -2.400 1.00 0.00 C ATOM 1106 OE1 GLU A 75 -11.063 2.061 -1.738 1.00 0.00 O ATOM 1107 OE2 GLU A 75 -9.097 1.889 -2.602 1.00 0.00 O ATOM 0 H GLU A 75 -12.235 6.663 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.398 6.182 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.976 4.403 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.094 4.841 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.824 3.825 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.302 4.308 -3.238 1.00 0.00 H new ATOM 1114 N GLU A 76 -11.699 7.067 -3.954 1.00 0.00 N ATOM 1115 CA GLU A 76 -11.877 7.706 -5.287 1.00 0.00 C ATOM 1116 C GLU A 76 -11.435 9.179 -5.213 1.00 0.00 C ATOM 1117 O GLU A 76 -11.296 9.835 -6.230 1.00 0.00 O ATOM 1118 CB GLU A 76 -13.374 7.612 -5.587 1.00 0.00 C ATOM 1119 CG GLU A 76 -13.645 6.375 -6.447 1.00 0.00 C ATOM 1120 CD GLU A 76 -13.422 6.719 -7.920 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -14.276 7.376 -8.491 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -12.399 6.319 -8.452 1.00 0.00 O ATOM 0 H GLU A 76 -12.566 6.858 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.283 7.222 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.939 7.552 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.709 8.510 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.985 5.560 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.667 6.030 -6.294 1.00 0.00 H new ATOM 1129 N GLY A 77 -11.150 9.690 -4.023 1.00 0.00 N ATOM 1130 CA GLY A 77 -10.653 11.076 -3.915 1.00 0.00 C ATOM 1131 C GLY A 77 -9.201 10.967 -4.313 1.00 0.00 C ATOM 1132 O GLY A 77 -8.693 11.704 -5.133 1.00 0.00 O ATOM 0 H GLY A 77 -11.246 9.193 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.200 11.750 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.763 11.463 -2.902 1.00 0.00 H new ATOM 1136 N LEU A 78 -8.525 10.042 -3.680 1.00 0.00 N ATOM 1137 CA LEU A 78 -7.083 9.837 -3.929 1.00 0.00 C ATOM 1138 C LEU A 78 -6.627 8.521 -3.290 1.00 0.00 C ATOM 1139 O LEU A 78 -7.411 7.628 -3.055 1.00 0.00 O ATOM 1140 CB LEU A 78 -6.446 11.011 -3.206 1.00 0.00 C ATOM 1141 CG LEU A 78 -5.370 11.658 -4.081 1.00 0.00 C ATOM 1142 CD1 LEU A 78 -6.032 12.316 -5.294 1.00 0.00 C ATOM 1143 CD2 LEU A 78 -4.608 12.719 -3.270 1.00 0.00 C ATOM 0 H LEU A 78 -8.929 9.411 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.825 9.784 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.209 11.747 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.006 10.673 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.669 10.894 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.268 12.778 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.566 11.561 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.734 13.078 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.843 13.177 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.304 13.485 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.136 12.248 -2.408 1.00 0.00 H new ATOM 1155 N VAL A 79 -5.365 8.419 -2.978 1.00 0.00 N ATOM 1156 CA VAL A 79 -4.861 7.169 -2.320 1.00 0.00 C ATOM 1157 C VAL A 79 -4.238 7.498 -0.949 1.00 0.00 C ATOM 1158 O VAL A 79 -3.529 8.474 -0.801 1.00 0.00 O ATOM 1159 CB VAL A 79 -3.852 6.542 -3.320 1.00 0.00 C ATOM 1160 CG1 VAL A 79 -2.404 6.977 -3.044 1.00 0.00 C ATOM 1161 CG2 VAL A 79 -3.934 5.018 -3.220 1.00 0.00 C ATOM 0 H VAL A 79 -4.661 9.138 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.657 6.456 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.120 6.889 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.739 6.511 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.328 8.061 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.117 6.668 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.228 4.569 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.687 4.706 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.945 4.691 -3.464 1.00 0.00 H new ATOM 1171 N LEU A 80 -4.506 6.689 0.049 1.00 0.00 N ATOM 1172 CA LEU A 80 -3.937 6.949 1.409 1.00 0.00 C ATOM 1173 C LEU A 80 -2.713 6.061 1.650 1.00 0.00 C ATOM 1174 O LEU A 80 -2.807 4.849 1.647 1.00 0.00 O ATOM 1175 CB LEU A 80 -5.061 6.591 2.384 1.00 0.00 C ATOM 1176 CG LEU A 80 -6.016 7.778 2.522 1.00 0.00 C ATOM 1177 CD1 LEU A 80 -7.387 7.280 2.981 1.00 0.00 C ATOM 1178 CD2 LEU A 80 -5.461 8.762 3.556 1.00 0.00 C ATOM 0 H LEU A 80 -5.095 5.859 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.608 7.981 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.602 5.715 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.644 6.332 3.357 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.114 8.278 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.067 8.126 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.784 6.579 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.289 6.780 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.141 9.608 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.363 8.261 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.483 9.118 3.231 1.00 0.00 H new ATOM 1190 N LEU A 81 -1.565 6.658 1.849 1.00 0.00 N ATOM 1191 CA LEU A 81 -0.323 5.858 2.081 1.00 0.00 C ATOM 1192 C LEU A 81 -0.076 5.602 3.577 1.00 0.00 C ATOM 1193 O LEU A 81 0.841 4.888 3.937 1.00 0.00 O ATOM 1194 CB LEU A 81 0.803 6.713 1.497 1.00 0.00 C ATOM 1195 CG LEU A 81 1.893 5.804 0.925 1.00 0.00 C ATOM 1196 CD1 LEU A 81 1.418 5.209 -0.402 1.00 0.00 C ATOM 1197 CD2 LEU A 81 3.166 6.620 0.690 1.00 0.00 C ATOM 0 H LEU A 81 -1.434 7.669 1.861 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.393 4.874 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.411 7.364 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.222 7.358 2.269 1.00 0.00 H new ATOM 0 HG LEU A 81 2.101 4.999 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.195 4.562 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.511 4.628 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.209 6.013 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.943 5.973 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.957 7.425 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.506 7.044 1.635 1.00 0.00 H new ATOM 1209 N CYS A 82 -0.872 6.174 4.454 1.00 0.00 N ATOM 1210 CA CYS A 82 -0.653 5.954 5.923 1.00 0.00 C ATOM 1211 C CYS A 82 -0.698 4.452 6.256 1.00 0.00 C ATOM 1212 O CYS A 82 -0.121 4.012 7.231 1.00 0.00 O ATOM 1213 CB CYS A 82 -1.783 6.720 6.627 1.00 0.00 C ATOM 1214 SG CYS A 82 -1.145 8.308 7.242 1.00 0.00 S ATOM 0 H CYS A 82 -1.658 6.779 4.218 1.00 0.00 H new ATOM 0 HA CYS A 82 0.325 6.309 6.249 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -2.608 6.890 5.935 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -2.177 6.129 7.454 1.00 0.00 H new ATOM 1220 N ARG A 83 -1.353 3.666 5.440 1.00 0.00 N ATOM 1221 CA ARG A 83 -1.410 2.190 5.687 1.00 0.00 C ATOM 1222 C ARG A 83 -1.702 1.470 4.368 1.00 0.00 C ATOM 1223 O ARG A 83 -0.881 0.728 3.864 1.00 0.00 O ATOM 1224 CB ARG A 83 -2.559 1.991 6.678 1.00 0.00 C ATOM 1225 CG ARG A 83 -2.488 0.579 7.264 1.00 0.00 C ATOM 1226 CD ARG A 83 -3.293 -0.388 6.388 1.00 0.00 C ATOM 1227 NE ARG A 83 -2.364 -1.518 6.099 1.00 0.00 N ATOM 1228 CZ ARG A 83 -2.645 -2.719 6.526 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -3.691 -3.347 6.063 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -1.880 -3.291 7.413 1.00 0.00 N ATOM 0 H ARG A 83 -1.853 3.983 4.609 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.475 1.791 6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.498 2.731 7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.515 2.141 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.450 0.252 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.882 0.577 8.280 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.188 -0.736 6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.623 0.095 5.469 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.509 -1.352 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.288 -2.899 5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.911 -4.286 6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.062 -2.800 7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.100 -4.230 7.747 1.00 0.00 H new ATOM 1244 N THR A 84 -2.842 1.736 3.785 1.00 0.00 N ATOM 1245 CA THR A 84 -3.202 1.124 2.464 1.00 0.00 C ATOM 1246 C THR A 84 -3.048 -0.412 2.458 1.00 0.00 C ATOM 1247 O THR A 84 -2.511 -0.999 3.378 1.00 0.00 O ATOM 1248 CB THR A 84 -2.238 1.757 1.427 1.00 0.00 C ATOM 1249 OG1 THR A 84 -1.461 2.796 2.017 1.00 0.00 O ATOM 1250 CG2 THR A 84 -3.039 2.342 0.263 1.00 0.00 C ATOM 0 H THR A 84 -3.551 2.360 4.171 1.00 0.00 H new ATOM 0 HA THR A 84 -4.250 1.319 2.237 1.00 0.00 H new ATOM 0 HB THR A 84 -1.570 0.974 1.069 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.041 3.556 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.356 2.785 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.614 1.550 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.718 3.108 0.637 1.00 0.00 H new ATOM 1258 N TYR A 85 -3.557 -1.066 1.445 1.00 0.00 N ATOM 1259 CA TYR A 85 -3.486 -2.560 1.381 1.00 0.00 C ATOM 1260 C TYR A 85 -2.360 -3.020 0.438 1.00 0.00 C ATOM 1261 O TYR A 85 -2.049 -2.338 -0.519 1.00 0.00 O ATOM 1262 CB TYR A 85 -4.847 -2.995 0.838 1.00 0.00 C ATOM 1263 CG TYR A 85 -5.263 -4.291 1.491 1.00 0.00 C ATOM 1264 CD1 TYR A 85 -5.525 -4.331 2.867 1.00 0.00 C ATOM 1265 CD2 TYR A 85 -5.384 -5.453 0.721 1.00 0.00 C ATOM 1266 CE1 TYR A 85 -5.910 -5.535 3.470 1.00 0.00 C ATOM 1267 CE2 TYR A 85 -5.768 -6.656 1.324 1.00 0.00 C ATOM 1268 CZ TYR A 85 -6.032 -6.696 2.699 1.00 0.00 C ATOM 1269 OH TYR A 85 -6.411 -7.882 3.293 1.00 0.00 O ATOM 0 H TYR A 85 -4.023 -0.626 0.652 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.269 -2.997 2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.591 -2.223 1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.795 -3.121 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.430 -3.435 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.181 -5.421 -0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.113 -5.567 4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -5.861 -7.553 0.730 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.448 -8.590 2.616 1.00 0.00 H new ATOM 1279 N PRO A 86 -1.779 -4.169 0.739 1.00 0.00 N ATOM 1280 CA PRO A 86 -0.674 -4.706 -0.101 1.00 0.00 C ATOM 1281 C PRO A 86 -1.199 -5.405 -1.374 1.00 0.00 C ATOM 1282 O PRO A 86 -0.775 -6.504 -1.686 1.00 0.00 O ATOM 1283 CB PRO A 86 -0.001 -5.726 0.815 1.00 0.00 C ATOM 1284 CG PRO A 86 -1.055 -6.159 1.786 1.00 0.00 C ATOM 1285 CD PRO A 86 -2.084 -5.060 1.873 1.00 0.00 C ATOM 0 HA PRO A 86 -0.008 -3.918 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.378 -6.574 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.851 -5.285 1.333 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.518 -7.090 1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.616 -6.350 2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.096 -5.459 1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.017 -4.529 2.823 1.00 0.00 H new ATOM 1293 N LYS A 87 -2.143 -4.817 -2.092 1.00 0.00 N ATOM 1294 CA LYS A 87 -2.679 -5.534 -3.295 1.00 0.00 C ATOM 1295 C LYS A 87 -1.738 -5.401 -4.500 1.00 0.00 C ATOM 1296 O LYS A 87 -1.119 -6.366 -4.910 1.00 0.00 O ATOM 1297 CB LYS A 87 -4.027 -4.856 -3.587 1.00 0.00 C ATOM 1298 CG LYS A 87 -5.125 -5.915 -3.709 1.00 0.00 C ATOM 1299 CD LYS A 87 -5.195 -6.415 -5.154 1.00 0.00 C ATOM 1300 CE LYS A 87 -4.200 -7.561 -5.347 1.00 0.00 C ATOM 1301 NZ LYS A 87 -4.743 -8.350 -6.490 1.00 0.00 N ATOM 0 H LYS A 87 -2.550 -3.902 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.778 -6.604 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.272 -4.155 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.962 -4.279 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.919 -6.747 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.085 -5.494 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.205 -6.754 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.967 -5.602 -5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.201 -7.184 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.121 -8.171 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.115 -9.156 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.692 -8.701 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.801 -7.744 -7.333 1.00 0.00 H new ATOM 1315 N THR A 88 -1.616 -4.228 -5.060 1.00 0.00 N ATOM 1316 CA THR A 88 -0.700 -4.046 -6.229 1.00 0.00 C ATOM 1317 C THR A 88 -0.281 -2.574 -6.369 1.00 0.00 C ATOM 1318 O THR A 88 -1.018 -1.777 -6.913 1.00 0.00 O ATOM 1319 CB THR A 88 -1.519 -4.506 -7.438 1.00 0.00 C ATOM 1320 OG1 THR A 88 -1.885 -5.868 -7.264 1.00 0.00 O ATOM 1321 CG2 THR A 88 -0.688 -4.362 -8.717 1.00 0.00 C ATOM 0 H THR A 88 -2.109 -3.387 -4.761 1.00 0.00 H new ATOM 0 HA THR A 88 0.225 -4.613 -6.124 1.00 0.00 H new ATOM 0 HB THR A 88 -2.414 -3.890 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.320 -6.273 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.277 -4.691 -9.573 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.405 -3.318 -8.851 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.210 -4.974 -8.638 1.00 0.00 H new ATOM 1329 N ASP A 89 0.884 -2.203 -5.897 1.00 0.00 N ATOM 1330 CA ASP A 89 1.313 -0.774 -6.036 1.00 0.00 C ATOM 1331 C ASP A 89 2.442 -0.657 -7.053 1.00 0.00 C ATOM 1332 O ASP A 89 3.553 -1.099 -6.825 1.00 0.00 O ATOM 1333 CB ASP A 89 1.801 -0.336 -4.657 1.00 0.00 C ATOM 1334 CG ASP A 89 1.018 0.888 -4.154 1.00 0.00 C ATOM 1335 OD1 ASP A 89 0.286 1.480 -4.933 1.00 0.00 O ATOM 1336 OD2 ASP A 89 1.173 1.219 -2.991 1.00 0.00 O ATOM 0 H ASP A 89 1.549 -2.817 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 89 0.492 -0.148 -6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.689 -1.158 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.864 -0.098 -4.703 1.00 0.00 H new ATOM 1341 N LEU A 90 2.155 -0.067 -8.169 1.00 0.00 N ATOM 1342 CA LEU A 90 3.176 0.099 -9.229 1.00 0.00 C ATOM 1343 C LEU A 90 3.902 1.435 -9.042 1.00 0.00 C ATOM 1344 O LEU A 90 5.114 1.499 -8.980 1.00 0.00 O ATOM 1345 CB LEU A 90 2.377 0.104 -10.532 1.00 0.00 C ATOM 1346 CG LEU A 90 2.211 -1.330 -11.038 1.00 0.00 C ATOM 1347 CD1 LEU A 90 1.306 -1.334 -12.271 1.00 0.00 C ATOM 1348 CD2 LEU A 90 3.579 -1.905 -11.413 1.00 0.00 C ATOM 0 H LEU A 90 1.237 0.315 -8.397 1.00 0.00 H new ATOM 0 HA LEU A 90 3.934 -0.684 -9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.400 0.558 -10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.888 0.708 -11.282 1.00 0.00 H new ATOM 0 HG LEU A 90 1.763 -1.939 -10.253 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.187 -2.356 -12.632 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.330 -0.927 -12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.755 -0.722 -13.054 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.458 -2.927 -11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.028 -1.295 -12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.227 -1.904 -10.536 1.00 0.00 H new ATOM 1360 N GLU A 91 3.148 2.500 -8.942 1.00 0.00 N ATOM 1361 CA GLU A 91 3.744 3.853 -8.745 1.00 0.00 C ATOM 1362 C GLU A 91 2.795 4.707 -7.891 1.00 0.00 C ATOM 1363 O GLU A 91 1.606 4.747 -8.144 1.00 0.00 O ATOM 1364 CB GLU A 91 3.885 4.419 -10.149 1.00 0.00 C ATOM 1365 CG GLU A 91 4.963 5.504 -10.164 1.00 0.00 C ATOM 1366 CD GLU A 91 5.708 5.468 -11.499 1.00 0.00 C ATOM 1367 OE1 GLU A 91 6.208 4.410 -11.848 1.00 0.00 O ATOM 1368 OE2 GLU A 91 5.766 6.497 -12.152 1.00 0.00 O ATOM 0 H GLU A 91 2.129 2.487 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 91 4.703 3.831 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.147 3.624 -10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.933 4.834 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.509 6.484 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.661 5.348 -9.342 1.00 0.00 H new ATOM 1375 N ILE A 92 3.299 5.377 -6.877 1.00 0.00 N ATOM 1376 CA ILE A 92 2.400 6.206 -6.003 1.00 0.00 C ATOM 1377 C ILE A 92 3.114 7.477 -5.545 1.00 0.00 C ATOM 1378 O ILE A 92 4.311 7.497 -5.349 1.00 0.00 O ATOM 1379 CB ILE A 92 2.098 5.337 -4.771 1.00 0.00 C ATOM 1380 CG1 ILE A 92 1.612 3.941 -5.184 1.00 0.00 C ATOM 1381 CG2 ILE A 92 1.015 6.014 -3.932 1.00 0.00 C ATOM 1382 CD1 ILE A 92 2.811 2.994 -5.288 1.00 0.00 C ATOM 0 H ILE A 92 4.286 5.386 -6.618 1.00 0.00 H new ATOM 0 HA ILE A 92 1.499 6.501 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 92 3.016 5.228 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.898 3.562 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.092 3.993 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.797 5.402 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.364 6.995 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.110 6.128 -4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.467 2.002 -5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.509 3.372 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.312 2.933 -4.322 1.00 0.00 H new ATOM 1394 N GLU A 93 2.360 8.517 -5.292 1.00 0.00 N ATOM 1395 CA GLU A 93 2.957 9.768 -4.751 1.00 0.00 C ATOM 1396 C GLU A 93 2.784 9.691 -3.235 1.00 0.00 C ATOM 1397 O GLU A 93 1.912 8.986 -2.755 1.00 0.00 O ATOM 1398 CB GLU A 93 2.137 10.910 -5.336 1.00 0.00 C ATOM 1399 CG GLU A 93 2.504 12.239 -4.661 1.00 0.00 C ATOM 1400 CD GLU A 93 1.592 13.349 -5.186 1.00 0.00 C ATOM 1401 OE1 GLU A 93 0.452 13.406 -4.754 1.00 0.00 O ATOM 1402 OE2 GLU A 93 2.049 14.124 -6.009 1.00 0.00 O ATOM 0 H GLU A 93 1.351 8.550 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 93 4.010 9.909 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.314 10.980 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.074 10.708 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.400 12.150 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.547 12.485 -4.862 1.00 0.00 H new ATOM 1409 N LEU A 94 3.581 10.388 -2.478 1.00 0.00 N ATOM 1410 CA LEU A 94 3.442 10.315 -1.000 1.00 0.00 C ATOM 1411 C LEU A 94 2.295 11.215 -0.516 1.00 0.00 C ATOM 1412 O LEU A 94 1.682 11.904 -1.308 1.00 0.00 O ATOM 1413 CB LEU A 94 4.803 10.761 -0.471 1.00 0.00 C ATOM 1414 CG LEU A 94 5.416 9.636 0.383 1.00 0.00 C ATOM 1415 CD1 LEU A 94 6.085 8.600 -0.532 1.00 0.00 C ATOM 1416 CD2 LEU A 94 6.451 10.215 1.354 1.00 0.00 C ATOM 0 H LEU A 94 4.320 11.003 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 94 3.186 9.318 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.466 11.004 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.694 11.667 0.126 1.00 0.00 H new ATOM 0 HG LEU A 94 4.624 9.154 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.518 7.805 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.341 8.177 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.871 9.082 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.878 9.411 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.243 10.708 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.969 10.939 2.010 1.00 0.00 H new ATOM 1428 N PRO A 95 2.003 11.147 0.767 1.00 0.00 N ATOM 1429 CA PRO A 95 0.875 11.934 1.327 1.00 0.00 C ATOM 1430 C PRO A 95 1.202 13.415 1.489 1.00 0.00 C ATOM 1431 O PRO A 95 0.324 14.245 1.631 1.00 0.00 O ATOM 1432 CB PRO A 95 0.648 11.307 2.688 1.00 0.00 C ATOM 1433 CG PRO A 95 1.950 10.697 3.076 1.00 0.00 C ATOM 1434 CD PRO A 95 2.681 10.354 1.808 1.00 0.00 C ATOM 0 HA PRO A 95 0.008 11.905 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.334 12.055 3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.139 10.554 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.534 11.391 3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.791 9.804 3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.738 10.610 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.625 9.287 1.594 1.00 0.00 H new ATOM 1442 N TYR A 96 2.457 13.749 1.399 1.00 0.00 N ATOM 1443 CA TYR A 96 2.857 15.195 1.467 1.00 0.00 C ATOM 1444 C TYR A 96 3.268 15.600 0.055 1.00 0.00 C ATOM 1445 O TYR A 96 3.499 14.772 -0.806 1.00 0.00 O ATOM 1446 CB TYR A 96 4.057 15.379 2.435 1.00 0.00 C ATOM 1447 CG TYR A 96 4.376 14.144 3.260 1.00 0.00 C ATOM 1448 CD1 TYR A 96 3.624 13.850 4.404 1.00 0.00 C ATOM 1449 CD2 TYR A 96 5.446 13.315 2.894 1.00 0.00 C ATOM 1450 CE1 TYR A 96 3.939 12.727 5.179 1.00 0.00 C ATOM 1451 CE2 TYR A 96 5.761 12.194 3.671 1.00 0.00 C ATOM 1452 CZ TYR A 96 5.006 11.901 4.813 1.00 0.00 C ATOM 1453 OH TYR A 96 5.319 10.797 5.579 1.00 0.00 O ATOM 0 H TYR A 96 3.227 13.091 1.281 1.00 0.00 H new ATOM 0 HA TYR A 96 2.035 15.808 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.939 15.656 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.844 16.209 3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.801 14.489 4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.027 13.541 2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.357 12.499 6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.586 11.556 3.390 1.00 0.00 H new ATOM 0 HH TYR A 96 5.170 11.003 6.525 1.00 0.00 H new ATOM 1463 N THR A 97 3.352 16.883 -0.176 1.00 0.00 N ATOM 1464 CA THR A 97 3.738 17.391 -1.525 1.00 0.00 C ATOM 1465 C THR A 97 4.491 18.722 -1.399 1.00 0.00 C ATOM 1466 O THR A 97 5.473 18.951 -2.077 1.00 0.00 O ATOM 1467 CB THR A 97 2.416 17.602 -2.271 1.00 0.00 C ATOM 1468 OG1 THR A 97 1.630 18.560 -1.576 1.00 0.00 O ATOM 1469 CG2 THR A 97 1.647 16.282 -2.362 1.00 0.00 C ATOM 0 H THR A 97 3.168 17.607 0.518 1.00 0.00 H new ATOM 0 HA THR A 97 4.397 16.697 -2.047 1.00 0.00 H new ATOM 0 HB THR A 97 2.628 17.960 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.785 18.697 -2.053 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.709 16.443 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.247 15.548 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.436 15.914 -1.358 1.00 0.00 H new ATOM 1477 N HIS A 98 4.032 19.602 -0.543 1.00 0.00 N ATOM 1478 CA HIS A 98 4.719 20.920 -0.375 1.00 0.00 C ATOM 1479 C HIS A 98 5.084 21.144 1.096 1.00 0.00 C ATOM 1480 O HIS A 98 5.415 22.267 1.439 1.00 0.00 O ATOM 1481 CB HIS A 98 3.707 21.970 -0.854 1.00 0.00 C ATOM 1482 CG HIS A 98 2.438 21.880 -0.043 1.00 0.00 C ATOM 1483 ND1 HIS A 98 2.386 22.250 1.291 1.00 0.00 N ATOM 1484 CD2 HIS A 98 1.171 21.463 -0.368 1.00 0.00 C ATOM 1485 CE1 HIS A 98 1.125 22.050 1.718 1.00 0.00 C ATOM 1486 NE2 HIS A 98 0.344 21.573 0.746 1.00 0.00 N ATOM 1487 OXT HIS A 98 5.027 20.189 1.853 1.00 0.00 O ATOM 0 H HIS A 98 3.211 19.464 0.047 1.00 0.00 H new ATOM 0 HA HIS A 98 5.649 20.974 -0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 98 4.136 22.968 -0.762 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.484 21.816 -1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 98 0.863 21.105 -1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 98 0.787 22.251 2.724 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -0.647 21.339 0.807 1.00 0.00 H new TER 1495 HIS A 98 HETATM 1496 FE1 FES A 99 -3.304 10.819 10.126 1.00 0.00 FE HETATM 1497 FE2 FES A 99 -2.673 9.967 7.636 1.00 0.00 FE HETATM 1498 S1 FES A 99 -1.734 11.745 8.742 1.00 0.00 S HETATM 1499 S2 FES A 99 -4.371 9.182 8.944 1.00 0.00 S