USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 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 -164:sc= -0.0202 (180deg=-0.505) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.113 (180deg=0.0619) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 HIS : no HD1:sc= 0.242 K(o=0.24,f=-1) USER MOD Single : A 12 THR OG1 : rot 24:sc= 0.694 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.0622 USER MOD Single : A 23 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0851 X(o=-0.085,f=-0.11) USER MOD Single : A 30 SER OG : rot 63:sc= 1.26 USER MOD Single : A 39 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 56 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.02) USER MOD Single : A 57 CYS SG : rot -23:sc= -0.651 USER MOD Single : A 63 THR OG1 : rot 108:sc= 0.621 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -153:sc= -0.436 (180deg=-1.85!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.147 -0.160 0.268 1.00 0.00 N ATOM 2 CA MET A 1 2.905 -0.247 -0.997 1.00 0.00 C ATOM 3 C MET A 1 3.731 -1.537 -1.022 1.00 0.00 C ATOM 4 O MET A 1 4.762 -1.626 -0.358 1.00 0.00 O ATOM 5 CB MET A 1 3.822 0.994 -1.163 1.00 0.00 C ATOM 6 CG MET A 1 4.682 1.005 -2.442 1.00 0.00 C ATOM 7 SD MET A 1 5.898 2.343 -2.465 1.00 0.00 S ATOM 8 CE MET A 1 4.853 3.793 -2.441 1.00 0.00 C ATOM 0 H1 MET A 1 1.418 0.578 0.186 1.00 0.00 H new ATOM 0 H2 MET A 1 1.693 -1.075 0.464 1.00 0.00 H new ATOM 0 H3 MET A 1 2.795 0.079 1.045 1.00 0.00 H new ATOM 0 HA MET A 1 2.203 -0.266 -1.831 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.201 1.889 -1.154 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.483 1.056 -0.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.199 0.050 -2.533 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.030 1.099 -3.311 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.435 4.666 -2.735 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.026 3.657 -3.138 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.459 3.941 -1.435 1.00 0.00 H new ATOM 18 N GLN A 2 3.237 -2.556 -1.739 1.00 0.00 N ATOM 19 CA GLN A 2 4.006 -3.779 -2.011 1.00 0.00 C ATOM 20 C GLN A 2 4.833 -3.554 -3.280 1.00 0.00 C ATOM 21 O GLN A 2 4.276 -3.232 -4.331 1.00 0.00 O ATOM 22 CB GLN A 2 3.067 -5.005 -2.172 1.00 0.00 C ATOM 23 CG GLN A 2 3.796 -6.343 -2.457 1.00 0.00 C ATOM 24 CD GLN A 2 2.839 -7.532 -2.580 1.00 0.00 C ATOM 25 OE1 GLN A 2 2.349 -7.841 -3.668 1.00 0.00 O ATOM 26 NE2 GLN A 2 2.566 -8.208 -1.469 1.00 0.00 N ATOM 0 H GLN A 2 2.301 -2.557 -2.144 1.00 0.00 H new ATOM 0 HA GLN A 2 4.667 -3.992 -1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.476 -5.115 -1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.368 -4.807 -2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.370 -6.249 -3.379 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.509 -6.539 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.988 -7.927 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.934 -9.008 -1.501 1.00 0.00 H new ATOM 35 N LEU A 3 6.152 -3.728 -3.173 1.00 0.00 N ATOM 36 CA LEU A 3 7.101 -3.457 -4.265 1.00 0.00 C ATOM 37 C LEU A 3 8.223 -4.506 -4.238 1.00 0.00 C ATOM 38 O LEU A 3 8.470 -5.135 -3.208 1.00 0.00 O ATOM 39 CB LEU A 3 7.645 -1.982 -4.194 1.00 0.00 C ATOM 40 CG LEU A 3 8.194 -1.444 -2.813 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.513 -2.116 -2.355 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.373 0.088 -2.865 1.00 0.00 C ATOM 0 H LEU A 3 6.599 -4.064 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 3 6.588 -3.541 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.446 -1.889 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.842 -1.317 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 3 7.442 -1.709 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.824 -1.693 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.355 -3.189 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.289 -1.940 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.752 0.443 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.081 0.345 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.413 0.560 -3.073 1.00 0.00 H new ATOM 54 N PHE A 4 8.899 -4.689 -5.370 1.00 0.00 N ATOM 55 CA PHE A 4 9.987 -5.671 -5.514 1.00 0.00 C ATOM 56 C PHE A 4 11.332 -4.975 -5.308 1.00 0.00 C ATOM 57 O PHE A 4 11.501 -3.834 -5.723 1.00 0.00 O ATOM 58 CB PHE A 4 9.911 -6.345 -6.912 1.00 0.00 C ATOM 59 CG PHE A 4 8.539 -6.963 -7.198 1.00 0.00 C ATOM 60 CD1 PHE A 4 8.219 -8.235 -6.728 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.566 -6.262 -7.919 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.972 -8.786 -6.960 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.322 -6.815 -8.155 1.00 0.00 C ATOM 64 CZ PHE A 4 6.026 -8.081 -7.678 1.00 0.00 C ATOM 0 H PHE A 4 8.711 -4.160 -6.222 1.00 0.00 H new ATOM 0 HA PHE A 4 9.883 -6.450 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.139 -5.606 -7.680 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.675 -7.120 -6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.955 -8.799 -6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.790 -5.275 -8.296 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.738 -9.769 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.581 -6.260 -8.711 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.056 -8.517 -7.867 1.00 0.00 H new ATOM 74 N VAL A 5 12.253 -5.648 -4.609 1.00 0.00 N ATOM 75 CA VAL A 5 13.632 -5.182 -4.419 1.00 0.00 C ATOM 76 C VAL A 5 14.580 -6.280 -4.938 1.00 0.00 C ATOM 77 O VAL A 5 14.749 -7.329 -4.291 1.00 0.00 O ATOM 78 CB VAL A 5 13.937 -4.841 -2.908 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.377 -4.311 -2.729 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.904 -3.831 -2.337 1.00 0.00 C ATOM 0 H VAL A 5 12.060 -6.541 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 5 13.781 -4.257 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 5 13.849 -5.769 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.554 -4.086 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 5 16.087 -5.068 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.507 -3.405 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.142 -3.617 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.941 -2.907 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.904 -4.259 -2.400 1.00 0.00 H new ATOM 90 N ARG A 6 15.145 -6.047 -6.142 1.00 0.00 N ATOM 91 CA ARG A 6 16.045 -6.993 -6.806 1.00 0.00 C ATOM 92 C ARG A 6 17.450 -6.963 -6.167 1.00 0.00 C ATOM 93 O ARG A 6 18.245 -6.054 -6.398 1.00 0.00 O ATOM 94 CB ARG A 6 16.126 -6.725 -8.338 1.00 0.00 C ATOM 95 CG ARG A 6 16.910 -7.813 -9.118 1.00 0.00 C ATOM 96 CD ARG A 6 16.785 -7.683 -10.644 1.00 0.00 C ATOM 97 NE ARG A 6 17.434 -6.474 -11.186 1.00 0.00 N ATOM 98 CZ ARG A 6 17.547 -6.195 -12.499 1.00 0.00 C ATOM 99 NH1 ARG A 6 17.035 -7.011 -13.416 1.00 0.00 N ATOM 100 NH2 ARG A 6 18.176 -5.100 -12.887 1.00 0.00 N ATOM 0 H ARG A 6 14.984 -5.193 -6.676 1.00 0.00 H new ATOM 0 HA ARG A 6 15.630 -7.991 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.115 -6.658 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.600 -5.758 -8.505 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.963 -7.759 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.551 -8.796 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.225 -8.563 -11.113 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.729 -7.671 -10.915 1.00 0.00 H new ATOM 0 HE ARG A 6 17.823 -5.805 -10.522 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.549 -7.861 -13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.128 -6.787 -14.407 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.575 -4.468 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.263 -4.887 -13.881 1.00 0.00 H new ATOM 114 N ALA A 7 17.694 -7.944 -5.314 1.00 0.00 N ATOM 115 CA ALA A 7 19.030 -8.287 -4.801 1.00 0.00 C ATOM 116 C ALA A 7 19.528 -9.541 -5.540 1.00 0.00 C ATOM 117 O ALA A 7 18.850 -10.018 -6.466 1.00 0.00 O ATOM 118 CB ALA A 7 18.980 -8.508 -3.281 1.00 0.00 C ATOM 0 H ALA A 7 16.957 -8.545 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 7 19.726 -7.468 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.976 -8.761 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.636 -7.597 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.293 -9.323 -3.054 1.00 0.00 H new ATOM 124 N GLN A 8 20.734 -10.029 -5.170 1.00 0.00 N ATOM 125 CA GLN A 8 21.297 -11.320 -5.667 1.00 0.00 C ATOM 126 C GLN A 8 20.258 -12.468 -5.562 1.00 0.00 C ATOM 127 O GLN A 8 20.194 -13.365 -6.412 1.00 0.00 O ATOM 128 CB GLN A 8 22.595 -11.675 -4.880 1.00 0.00 C ATOM 129 CG GLN A 8 22.407 -11.904 -3.361 1.00 0.00 C ATOM 130 CD GLN A 8 23.734 -12.111 -2.622 1.00 0.00 C ATOM 131 OE1 GLN A 8 24.345 -11.158 -2.131 1.00 0.00 O ATOM 132 NE2 GLN A 8 24.187 -13.354 -2.542 1.00 0.00 N ATOM 0 H GLN A 8 21.350 -9.544 -4.518 1.00 0.00 H new ATOM 0 HA GLN A 8 21.546 -11.200 -6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 8 23.029 -12.575 -5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.318 -10.872 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.887 -11.048 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.770 -12.775 -3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.656 -14.118 -2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.067 -13.546 -2.063 1.00 0.00 H new ATOM 141 N GLU A 9 19.450 -12.408 -4.494 1.00 0.00 N ATOM 142 CA GLU A 9 18.221 -13.200 -4.340 1.00 0.00 C ATOM 143 C GLU A 9 17.044 -12.220 -4.406 1.00 0.00 C ATOM 144 O GLU A 9 17.072 -11.181 -3.727 1.00 0.00 O ATOM 145 CB GLU A 9 18.240 -13.955 -2.989 1.00 0.00 C ATOM 146 CG GLU A 9 19.343 -15.024 -2.892 1.00 0.00 C ATOM 147 CD GLU A 9 19.515 -15.591 -1.479 1.00 0.00 C ATOM 148 OE1 GLU A 9 18.740 -16.492 -1.081 1.00 0.00 O ATOM 149 OE2 GLU A 9 20.416 -15.126 -0.753 1.00 0.00 O ATOM 0 H GLU A 9 19.635 -11.797 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 9 18.134 -13.949 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.373 -13.234 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.271 -14.430 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.111 -15.839 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.288 -14.592 -3.220 1.00 0.00 H new ATOM 156 N LEU A 10 16.029 -12.538 -5.227 1.00 0.00 N ATOM 157 CA LEU A 10 14.880 -11.642 -5.463 1.00 0.00 C ATOM 158 C LEU A 10 14.027 -11.539 -4.184 1.00 0.00 C ATOM 159 O LEU A 10 13.720 -12.552 -3.543 1.00 0.00 O ATOM 160 CB LEU A 10 14.034 -12.145 -6.686 1.00 0.00 C ATOM 161 CG LEU A 10 12.965 -11.156 -7.313 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.655 -11.062 -6.487 1.00 0.00 C ATOM 163 CD2 LEU A 10 13.582 -9.756 -7.542 1.00 0.00 C ATOM 0 H LEU A 10 15.980 -13.416 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 10 15.244 -10.644 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.728 -12.430 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.511 -13.051 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 10 12.682 -11.579 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.968 -10.369 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.193 -12.047 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.883 -10.704 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.831 -9.094 -7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.922 -9.348 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.428 -9.838 -8.225 1.00 0.00 H new ATOM 175 N HIS A 11 13.675 -10.297 -3.821 1.00 0.00 N ATOM 176 CA HIS A 11 12.853 -9.995 -2.642 1.00 0.00 C ATOM 177 C HIS A 11 11.654 -9.128 -3.062 1.00 0.00 C ATOM 178 O HIS A 11 11.707 -8.435 -4.083 1.00 0.00 O ATOM 179 CB HIS A 11 13.683 -9.226 -1.579 1.00 0.00 C ATOM 180 CG HIS A 11 14.969 -9.887 -1.145 1.00 0.00 C ATOM 181 ND1 HIS A 11 15.035 -11.170 -0.651 1.00 0.00 N ATOM 182 CD2 HIS A 11 16.247 -9.425 -1.137 1.00 0.00 C ATOM 183 CE1 HIS A 11 16.287 -11.464 -0.360 1.00 0.00 C ATOM 184 NE2 HIS A 11 17.039 -10.425 -0.647 1.00 0.00 N ATOM 0 H HIS A 11 13.956 -9.467 -4.343 1.00 0.00 H new ATOM 0 HA HIS A 11 12.506 -10.934 -2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.920 -8.239 -1.975 1.00 0.00 H new ATOM 0 HB3 HIS A 11 13.059 -9.075 -0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.576 -8.448 -1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 11 16.636 -12.402 0.046 1.00 0.00 H new ATOM 0 HE2 HIS A 11 18.050 -10.373 -0.524 1.00 0.00 H new ATOM 193 N THR A 12 10.581 -9.175 -2.264 1.00 0.00 N ATOM 194 CA THR A 12 9.460 -8.224 -2.346 1.00 0.00 C ATOM 195 C THR A 12 9.082 -7.817 -0.911 1.00 0.00 C ATOM 196 O THR A 12 9.038 -8.666 -0.008 1.00 0.00 O ATOM 197 CB THR A 12 8.222 -8.805 -3.130 1.00 0.00 C ATOM 198 OG1 THR A 12 7.228 -7.780 -3.327 1.00 0.00 O ATOM 199 CG2 THR A 12 7.564 -10.009 -2.428 1.00 0.00 C ATOM 0 H THR A 12 10.463 -9.879 -1.536 1.00 0.00 H new ATOM 0 HA THR A 12 9.774 -7.351 -2.918 1.00 0.00 H new ATOM 0 HB THR A 12 8.610 -9.155 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.654 -6.899 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.719 -10.359 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.293 -10.813 -2.325 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.214 -9.708 -1.441 1.00 0.00 H new ATOM 207 N PHE A 13 8.864 -6.510 -0.688 1.00 0.00 N ATOM 208 CA PHE A 13 8.598 -5.943 0.647 1.00 0.00 C ATOM 209 C PHE A 13 7.410 -4.984 0.590 1.00 0.00 C ATOM 210 O PHE A 13 7.102 -4.411 -0.459 1.00 0.00 O ATOM 211 CB PHE A 13 9.842 -5.184 1.197 1.00 0.00 C ATOM 212 CG PHE A 13 11.091 -6.054 1.361 1.00 0.00 C ATOM 213 CD1 PHE A 13 11.106 -7.122 2.257 1.00 0.00 C ATOM 214 CD2 PHE A 13 12.241 -5.811 0.616 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.230 -7.912 2.400 1.00 0.00 C ATOM 216 CE2 PHE A 13 13.362 -6.600 0.763 1.00 0.00 C ATOM 217 CZ PHE A 13 13.358 -7.651 1.658 1.00 0.00 C ATOM 0 H PHE A 13 8.867 -5.813 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 13 8.369 -6.772 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 13 10.075 -4.358 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.589 -4.747 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.227 -7.335 2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 13 12.256 -4.992 -0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.223 -8.737 3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 13 14.245 -6.395 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 13 14.238 -8.266 1.775 1.00 0.00 H new ATOM 227 N GLU A 14 6.750 -4.812 1.740 1.00 0.00 N ATOM 228 CA GLU A 14 5.685 -3.829 1.911 1.00 0.00 C ATOM 229 C GLU A 14 6.230 -2.668 2.761 1.00 0.00 C ATOM 230 O GLU A 14 6.713 -2.862 3.887 1.00 0.00 O ATOM 231 CB GLU A 14 4.425 -4.479 2.539 1.00 0.00 C ATOM 232 CG GLU A 14 4.642 -5.149 3.913 1.00 0.00 C ATOM 233 CD GLU A 14 3.384 -5.846 4.440 1.00 0.00 C ATOM 234 OE1 GLU A 14 2.475 -5.149 4.934 1.00 0.00 O ATOM 235 OE2 GLU A 14 3.284 -7.086 4.349 1.00 0.00 O ATOM 0 H GLU A 14 6.944 -5.356 2.581 1.00 0.00 H new ATOM 0 HA GLU A 14 5.372 -3.439 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.656 -3.714 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.038 -5.226 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.449 -5.878 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.963 -4.396 4.633 1.00 0.00 H new ATOM 242 N VAL A 15 6.208 -1.467 2.179 1.00 0.00 N ATOM 243 CA VAL A 15 6.681 -0.243 2.822 1.00 0.00 C ATOM 244 C VAL A 15 5.476 0.660 3.126 1.00 0.00 C ATOM 245 O VAL A 15 4.451 0.607 2.421 1.00 0.00 O ATOM 246 CB VAL A 15 7.731 0.510 1.913 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.964 -0.387 1.616 1.00 0.00 C ATOM 248 CG2 VAL A 15 7.095 1.029 0.605 1.00 0.00 C ATOM 0 H VAL A 15 5.855 -1.317 1.234 1.00 0.00 H new ATOM 0 HA VAL A 15 7.186 -0.501 3.753 1.00 0.00 H new ATOM 0 HB VAL A 15 8.074 1.380 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.668 0.159 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.449 -0.660 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.641 -1.290 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.852 1.540 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.693 0.189 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.290 1.724 0.843 1.00 0.00 H new ATOM 258 N THR A 16 5.596 1.464 4.194 1.00 0.00 N ATOM 259 CA THR A 16 4.524 2.364 4.642 1.00 0.00 C ATOM 260 C THR A 16 4.520 3.678 3.822 1.00 0.00 C ATOM 261 O THR A 16 3.539 4.438 3.845 1.00 0.00 O ATOM 262 CB THR A 16 4.678 2.657 6.172 1.00 0.00 C ATOM 263 OG1 THR A 16 5.012 1.440 6.851 1.00 0.00 O ATOM 264 CG2 THR A 16 3.391 3.238 6.799 1.00 0.00 C ATOM 0 H THR A 16 6.437 1.508 4.769 1.00 0.00 H new ATOM 0 HA THR A 16 3.565 1.872 4.476 1.00 0.00 H new ATOM 0 HB THR A 16 5.466 3.402 6.282 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.112 1.617 7.810 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.555 3.422 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.136 4.175 6.304 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.573 2.528 6.676 1.00 0.00 H new ATOM 272 N GLY A 17 5.623 3.932 3.084 1.00 0.00 N ATOM 273 CA GLY A 17 5.751 5.118 2.243 1.00 0.00 C ATOM 274 C GLY A 17 6.385 6.300 2.970 1.00 0.00 C ATOM 275 O GLY A 17 7.228 7.008 2.410 1.00 0.00 O ATOM 0 H GLY A 17 6.438 3.319 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.352 4.872 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.765 5.408 1.881 1.00 0.00 H new ATOM 279 N GLN A 18 5.950 6.510 4.223 1.00 0.00 N ATOM 280 CA GLN A 18 6.477 7.556 5.129 1.00 0.00 C ATOM 281 C GLN A 18 7.893 7.215 5.641 1.00 0.00 C ATOM 282 O GLN A 18 8.565 8.061 6.238 1.00 0.00 O ATOM 283 CB GLN A 18 5.495 7.719 6.319 1.00 0.00 C ATOM 284 CG GLN A 18 5.343 6.435 7.173 1.00 0.00 C ATOM 285 CD GLN A 18 4.261 6.513 8.258 1.00 0.00 C ATOM 286 OE1 GLN A 18 3.253 7.198 8.108 1.00 0.00 O ATOM 287 NE2 GLN A 18 4.458 5.794 9.354 1.00 0.00 N ATOM 0 H GLN A 18 5.210 5.951 4.647 1.00 0.00 H new ATOM 0 HA GLN A 18 6.559 8.491 4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.841 8.532 6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.517 8.009 5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.116 5.599 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.299 6.215 7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.305 5.234 9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.763 5.801 10.100 1.00 0.00 H new ATOM 296 N GLU A 19 8.308 5.959 5.439 1.00 0.00 N ATOM 297 CA GLU A 19 9.685 5.520 5.688 1.00 0.00 C ATOM 298 C GLU A 19 10.590 5.968 4.526 1.00 0.00 C ATOM 299 O GLU A 19 10.107 6.220 3.414 1.00 0.00 O ATOM 300 CB GLU A 19 9.742 3.988 5.873 1.00 0.00 C ATOM 301 CG GLU A 19 9.235 3.159 4.674 1.00 0.00 C ATOM 302 CD GLU A 19 9.353 1.647 4.919 1.00 0.00 C ATOM 303 OE1 GLU A 19 8.443 1.069 5.561 1.00 0.00 O ATOM 304 OE2 GLU A 19 10.355 1.031 4.481 1.00 0.00 O ATOM 0 H GLU A 19 7.697 5.217 5.098 1.00 0.00 H new ATOM 0 HA GLU A 19 10.044 5.980 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.773 3.702 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.154 3.723 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.194 3.412 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.804 3.426 3.784 1.00 0.00 H new ATOM 311 N THR A 20 11.891 6.081 4.795 1.00 0.00 N ATOM 312 CA THR A 20 12.865 6.589 3.822 1.00 0.00 C ATOM 313 C THR A 20 13.524 5.460 3.013 1.00 0.00 C ATOM 314 O THR A 20 13.293 4.268 3.266 1.00 0.00 O ATOM 315 CB THR A 20 13.966 7.411 4.558 1.00 0.00 C ATOM 316 OG1 THR A 20 14.652 6.571 5.506 1.00 0.00 O ATOM 317 CG2 THR A 20 13.380 8.643 5.275 1.00 0.00 C ATOM 0 H THR A 20 12.302 5.824 5.693 1.00 0.00 H new ATOM 0 HA THR A 20 12.323 7.225 3.122 1.00 0.00 H new ATOM 0 HB THR A 20 14.670 7.770 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.230 7.123 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.181 9.188 5.775 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.899 9.294 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.645 8.320 6.013 1.00 0.00 H new ATOM 325 N VAL A 21 14.360 5.861 2.037 1.00 0.00 N ATOM 326 CA VAL A 21 15.234 4.948 1.282 1.00 0.00 C ATOM 327 C VAL A 21 16.247 4.277 2.236 1.00 0.00 C ATOM 328 O VAL A 21 16.554 3.096 2.080 1.00 0.00 O ATOM 329 CB VAL A 21 15.964 5.732 0.123 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.100 4.914 -0.547 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.940 6.226 -0.928 1.00 0.00 C ATOM 0 H VAL A 21 14.447 6.836 1.749 1.00 0.00 H new ATOM 0 HA VAL A 21 14.631 4.163 0.826 1.00 0.00 H new ATOM 0 HB VAL A 21 16.444 6.595 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.561 5.509 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.851 4.656 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.687 4.002 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.462 6.764 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.416 5.371 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.220 6.891 -0.450 1.00 0.00 H new ATOM 341 N ALA A 22 16.723 5.046 3.243 1.00 0.00 N ATOM 342 CA ALA A 22 17.625 4.541 4.302 1.00 0.00 C ATOM 343 C ALA A 22 16.937 3.439 5.124 1.00 0.00 C ATOM 344 O ALA A 22 17.573 2.451 5.494 1.00 0.00 O ATOM 345 CB ALA A 22 18.090 5.688 5.219 1.00 0.00 C ATOM 0 H ALA A 22 16.492 6.034 3.343 1.00 0.00 H new ATOM 0 HA ALA A 22 18.503 4.112 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.752 5.292 5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.625 6.432 4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.223 6.152 5.689 1.00 0.00 H new ATOM 351 N GLN A 23 15.620 3.622 5.372 1.00 0.00 N ATOM 352 CA GLN A 23 14.794 2.629 6.082 1.00 0.00 C ATOM 353 C GLN A 23 14.687 1.326 5.281 1.00 0.00 C ATOM 354 O GLN A 23 14.903 0.262 5.842 1.00 0.00 O ATOM 355 CB GLN A 23 13.381 3.190 6.409 1.00 0.00 C ATOM 356 CG GLN A 23 13.341 4.223 7.554 1.00 0.00 C ATOM 357 CD GLN A 23 13.816 3.640 8.889 1.00 0.00 C ATOM 358 OE1 GLN A 23 14.993 3.728 9.239 1.00 0.00 O ATOM 359 NE2 GLN A 23 12.909 3.009 9.625 1.00 0.00 N ATOM 0 H GLN A 23 15.107 4.456 5.087 1.00 0.00 H new ATOM 0 HA GLN A 23 15.291 2.409 7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.972 3.650 5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.726 2.358 6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.966 5.076 7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.323 4.597 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.942 2.954 9.306 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.179 2.579 10.510 1.00 0.00 H new ATOM 368 N ILE A 24 14.373 1.424 3.968 1.00 0.00 N ATOM 369 CA ILE A 24 14.312 0.243 3.060 1.00 0.00 C ATOM 370 C ILE A 24 15.661 -0.500 3.078 1.00 0.00 C ATOM 371 O ILE A 24 15.707 -1.700 3.266 1.00 0.00 O ATOM 372 CB ILE A 24 13.984 0.639 1.569 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.668 1.465 1.473 1.00 0.00 C ATOM 374 CG2 ILE A 24 13.916 -0.617 0.645 1.00 0.00 C ATOM 375 CD1 ILE A 24 12.381 1.989 0.079 1.00 0.00 C ATOM 0 H ILE A 24 14.157 2.309 3.508 1.00 0.00 H new ATOM 0 HA ILE A 24 13.508 -0.393 3.428 1.00 0.00 H new ATOM 0 HB ILE A 24 14.801 1.269 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.834 0.843 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.726 2.306 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.688 -0.307 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.876 -1.133 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.136 -1.290 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.449 2.555 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.196 2.638 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.291 1.152 -0.613 1.00 0.00 H new ATOM 387 N LYS A 25 16.737 0.277 2.904 1.00 0.00 N ATOM 388 CA LYS A 25 18.137 -0.184 2.859 1.00 0.00 C ATOM 389 C LYS A 25 18.500 -0.984 4.122 1.00 0.00 C ATOM 390 O LYS A 25 19.057 -2.085 4.032 1.00 0.00 O ATOM 391 CB LYS A 25 18.997 1.091 2.683 1.00 0.00 C ATOM 392 CG LYS A 25 20.529 0.948 2.620 1.00 0.00 C ATOM 393 CD LYS A 25 21.179 2.323 2.294 1.00 0.00 C ATOM 394 CE LYS A 25 22.702 2.318 2.397 1.00 0.00 C ATOM 395 NZ LYS A 25 23.281 3.662 2.144 1.00 0.00 N ATOM 0 H LYS A 25 16.656 1.287 2.785 1.00 0.00 H new ATOM 0 HA LYS A 25 18.314 -0.874 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.673 1.584 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.762 1.764 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.907 0.574 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.803 0.217 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.892 2.621 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.779 3.075 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 25 22.997 1.977 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 25 23.112 1.606 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.317 3.614 2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.021 3.977 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.911 4.337 2.843 1.00 0.00 H new ATOM 409 N ALA A 26 18.107 -0.434 5.286 1.00 0.00 N ATOM 410 CA ALA A 26 18.281 -1.077 6.594 1.00 0.00 C ATOM 411 C ALA A 26 17.423 -2.353 6.709 1.00 0.00 C ATOM 412 O ALA A 26 17.910 -3.360 7.201 1.00 0.00 O ATOM 413 CB ALA A 26 17.941 -0.089 7.723 1.00 0.00 C ATOM 0 H ALA A 26 17.655 0.479 5.341 1.00 0.00 H new ATOM 0 HA ALA A 26 19.326 -1.372 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.074 -0.579 8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.602 0.776 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.906 0.237 7.622 1.00 0.00 H new ATOM 419 N HIS A 27 16.153 -2.287 6.236 1.00 0.00 N ATOM 420 CA HIS A 27 15.189 -3.415 6.309 1.00 0.00 C ATOM 421 C HIS A 27 15.711 -4.628 5.543 1.00 0.00 C ATOM 422 O HIS A 27 15.712 -5.747 6.076 1.00 0.00 O ATOM 423 CB HIS A 27 13.785 -3.003 5.764 1.00 0.00 C ATOM 424 CG HIS A 27 13.049 -1.984 6.604 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.168 -1.055 6.080 1.00 0.00 N ATOM 426 CD2 HIS A 27 13.078 -1.745 7.937 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.696 -0.307 7.055 1.00 0.00 C ATOM 428 NE2 HIS A 27 12.232 -0.704 8.186 1.00 0.00 N ATOM 0 H HIS A 27 15.769 -1.452 5.794 1.00 0.00 H new ATOM 0 HA HIS A 27 15.082 -3.682 7.360 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.905 -2.603 4.757 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.167 -3.897 5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.664 -2.281 8.669 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.986 0.499 6.943 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.046 -0.299 9.103 1.00 0.00 H new ATOM 437 N VAL A 28 16.201 -4.383 4.308 1.00 0.00 N ATOM 438 CA VAL A 28 16.724 -5.442 3.429 1.00 0.00 C ATOM 439 C VAL A 28 17.983 -6.052 4.068 1.00 0.00 C ATOM 440 O VAL A 28 18.105 -7.270 4.143 1.00 0.00 O ATOM 441 CB VAL A 28 17.058 -4.923 1.970 1.00 0.00 C ATOM 442 CG1 VAL A 28 17.447 -6.097 1.043 1.00 0.00 C ATOM 443 CG2 VAL A 28 15.884 -4.123 1.360 1.00 0.00 C ATOM 0 H VAL A 28 16.243 -3.450 3.898 1.00 0.00 H new ATOM 0 HA VAL A 28 15.943 -6.195 3.323 1.00 0.00 H new ATOM 0 HB VAL A 28 17.909 -4.248 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.672 -5.715 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.325 -6.602 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 28 16.619 -6.803 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.155 -3.786 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.001 -4.760 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.667 -3.259 1.988 1.00 0.00 H new ATOM 453 N ALA A 29 18.881 -5.175 4.577 1.00 0.00 N ATOM 454 CA ALA A 29 20.128 -5.584 5.250 1.00 0.00 C ATOM 455 C ALA A 29 19.861 -6.461 6.494 1.00 0.00 C ATOM 456 O ALA A 29 20.556 -7.451 6.715 1.00 0.00 O ATOM 457 CB ALA A 29 20.943 -4.340 5.627 1.00 0.00 C ATOM 0 H ALA A 29 18.757 -4.164 4.530 1.00 0.00 H new ATOM 0 HA ALA A 29 20.700 -6.195 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.864 -4.645 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.186 -3.778 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.359 -3.712 6.300 1.00 0.00 H new ATOM 463 N SER A 30 18.831 -6.090 7.280 1.00 0.00 N ATOM 464 CA SER A 30 18.428 -6.814 8.503 1.00 0.00 C ATOM 465 C SER A 30 17.994 -8.254 8.179 1.00 0.00 C ATOM 466 O SER A 30 18.402 -9.206 8.862 1.00 0.00 O ATOM 467 CB SER A 30 17.278 -6.054 9.212 1.00 0.00 C ATOM 468 OG SER A 30 17.656 -4.729 9.539 1.00 0.00 O ATOM 0 H SER A 30 18.251 -5.274 7.083 1.00 0.00 H new ATOM 0 HA SER A 30 19.289 -6.865 9.169 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.401 -6.034 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.993 -6.587 10.119 1.00 0.00 H new ATOM 0 HG SER A 30 17.851 -4.232 8.717 1.00 0.00 H new ATOM 474 N LEU A 31 17.187 -8.398 7.115 1.00 0.00 N ATOM 475 CA LEU A 31 16.616 -9.693 6.718 1.00 0.00 C ATOM 476 C LEU A 31 17.638 -10.552 5.942 1.00 0.00 C ATOM 477 O LEU A 31 17.538 -11.783 5.945 1.00 0.00 O ATOM 478 CB LEU A 31 15.314 -9.458 5.908 1.00 0.00 C ATOM 479 CG LEU A 31 14.205 -8.628 6.652 1.00 0.00 C ATOM 480 CD1 LEU A 31 12.944 -8.437 5.782 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.847 -9.255 8.025 1.00 0.00 C ATOM 0 H LEU A 31 16.914 -7.624 6.510 1.00 0.00 H new ATOM 0 HA LEU A 31 16.365 -10.259 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.569 -8.945 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.897 -10.426 5.632 1.00 0.00 H new ATOM 0 HG LEU A 31 14.624 -7.639 6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.204 -7.858 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.210 -7.906 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.526 -9.411 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.078 -8.654 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.476 -10.269 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.736 -9.283 8.655 1.00 0.00 H new ATOM 493 N GLU A 32 18.625 -9.900 5.286 1.00 0.00 N ATOM 494 CA GLU A 32 19.758 -10.599 4.628 1.00 0.00 C ATOM 495 C GLU A 32 20.900 -10.884 5.625 1.00 0.00 C ATOM 496 O GLU A 32 21.830 -11.621 5.296 1.00 0.00 O ATOM 497 CB GLU A 32 20.303 -9.782 3.425 1.00 0.00 C ATOM 498 CG GLU A 32 19.285 -9.555 2.280 1.00 0.00 C ATOM 499 CD GLU A 32 19.909 -8.891 1.036 1.00 0.00 C ATOM 500 OE1 GLU A 32 20.383 -7.734 1.145 1.00 0.00 O ATOM 501 OE2 GLU A 32 19.923 -9.519 -0.050 1.00 0.00 O ATOM 0 H GLU A 32 18.661 -8.885 5.197 1.00 0.00 H new ATOM 0 HA GLU A 32 19.373 -11.550 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.644 -8.812 3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.175 -10.295 3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.851 -10.513 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.469 -8.932 2.646 1.00 0.00 H new ATOM 508 N GLY A 33 20.838 -10.265 6.824 1.00 0.00 N ATOM 509 CA GLY A 33 21.820 -10.499 7.895 1.00 0.00 C ATOM 510 C GLY A 33 23.165 -9.817 7.651 1.00 0.00 C ATOM 511 O GLY A 33 24.198 -10.273 8.145 1.00 0.00 O ATOM 0 H GLY A 33 20.110 -9.595 7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 33 21.407 -10.143 8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 33 21.980 -11.572 8.002 1.00 0.00 H new ATOM 515 N ILE A 34 23.144 -8.731 6.865 1.00 0.00 N ATOM 516 CA ILE A 34 24.333 -7.903 6.554 1.00 0.00 C ATOM 517 C ILE A 34 24.123 -6.461 7.052 1.00 0.00 C ATOM 518 O ILE A 34 23.041 -6.113 7.533 1.00 0.00 O ATOM 519 CB ILE A 34 24.639 -7.902 5.004 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.422 -7.343 4.188 1.00 0.00 C ATOM 521 CG2 ILE A 34 25.031 -9.323 4.515 1.00 0.00 C ATOM 522 CD1 ILE A 34 23.651 -7.255 2.689 1.00 0.00 C ATOM 0 H ILE A 34 22.292 -8.393 6.418 1.00 0.00 H new ATOM 0 HA ILE A 34 25.190 -8.338 7.069 1.00 0.00 H new ATOM 0 HB ILE A 34 25.488 -7.240 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.555 -7.978 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 34 23.176 -6.350 4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 34 25.237 -9.296 3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.921 -9.658 5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 34 24.211 -10.014 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 34 22.757 -6.858 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 34 24.495 -6.595 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.865 -8.248 2.295 1.00 0.00 H new ATOM 534 N ALA A 35 25.169 -5.630 6.932 1.00 0.00 N ATOM 535 CA ALA A 35 25.119 -4.210 7.314 1.00 0.00 C ATOM 536 C ALA A 35 24.482 -3.375 6.173 1.00 0.00 C ATOM 537 O ALA A 35 24.706 -3.681 4.997 1.00 0.00 O ATOM 538 CB ALA A 35 26.545 -3.706 7.636 1.00 0.00 C ATOM 0 H ALA A 35 26.075 -5.924 6.567 1.00 0.00 H new ATOM 0 HA ALA A 35 24.502 -4.096 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.504 -2.654 7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 35 26.959 -4.287 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.179 -3.821 6.757 1.00 0.00 H new ATOM 544 N PRO A 36 23.677 -2.296 6.487 1.00 0.00 N ATOM 545 CA PRO A 36 23.158 -1.356 5.452 1.00 0.00 C ATOM 546 C PRO A 36 24.312 -0.574 4.791 1.00 0.00 C ATOM 547 O PRO A 36 24.194 -0.109 3.661 1.00 0.00 O ATOM 548 CB PRO A 36 22.197 -0.431 6.250 1.00 0.00 C ATOM 549 CG PRO A 36 22.692 -0.502 7.667 1.00 0.00 C ATOM 550 CD PRO A 36 23.214 -1.913 7.851 1.00 0.00 C ATOM 0 HA PRO A 36 22.652 -1.856 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.225 0.591 5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.164 -0.772 6.173 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.478 0.232 7.844 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.890 -0.287 8.373 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.028 -1.948 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.436 -2.584 8.213 1.00 0.00 H new ATOM 558 N GLU A 37 25.438 -0.494 5.522 1.00 0.00 N ATOM 559 CA GLU A 37 26.702 0.119 5.073 1.00 0.00 C ATOM 560 C GLU A 37 27.312 -0.647 3.873 1.00 0.00 C ATOM 561 O GLU A 37 28.041 -0.068 3.066 1.00 0.00 O ATOM 562 CB GLU A 37 27.693 0.122 6.273 1.00 0.00 C ATOM 563 CG GLU A 37 27.140 0.812 7.549 1.00 0.00 C ATOM 564 CD GLU A 37 27.992 0.546 8.801 1.00 0.00 C ATOM 565 OE1 GLU A 37 27.817 -0.524 9.425 1.00 0.00 O ATOM 566 OE2 GLU A 37 28.848 1.385 9.155 1.00 0.00 O ATOM 0 H GLU A 37 25.496 -0.865 6.470 1.00 0.00 H new ATOM 0 HA GLU A 37 26.507 1.137 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.957 -0.907 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 37 28.612 0.624 5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.084 1.887 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 37 26.123 0.465 7.730 1.00 0.00 H new ATOM 573 N ASP A 38 26.978 -1.945 3.762 1.00 0.00 N ATOM 574 CA ASP A 38 27.525 -2.844 2.730 1.00 0.00 C ATOM 575 C ASP A 38 26.775 -2.684 1.391 1.00 0.00 C ATOM 576 O ASP A 38 27.317 -2.979 0.322 1.00 0.00 O ATOM 577 CB ASP A 38 27.443 -4.313 3.237 1.00 0.00 C ATOM 578 CG ASP A 38 27.930 -5.353 2.209 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.140 -5.368 1.897 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.110 -6.152 1.706 1.00 0.00 O ATOM 0 H ASP A 38 26.317 -2.403 4.390 1.00 0.00 H new ATOM 0 HA ASP A 38 28.567 -2.580 2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.038 -4.408 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.411 -4.538 3.506 1.00 0.00 H new ATOM 585 N GLN A 39 25.533 -2.189 1.460 1.00 0.00 N ATOM 586 CA GLN A 39 24.654 -2.062 0.285 1.00 0.00 C ATOM 587 C GLN A 39 24.175 -0.616 0.105 1.00 0.00 C ATOM 588 O GLN A 39 24.570 0.289 0.847 1.00 0.00 O ATOM 589 CB GLN A 39 23.439 -3.021 0.436 1.00 0.00 C ATOM 590 CG GLN A 39 22.531 -2.759 1.659 1.00 0.00 C ATOM 591 CD GLN A 39 21.277 -3.641 1.654 1.00 0.00 C ATOM 592 OE1 GLN A 39 20.230 -3.253 1.134 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.386 -4.834 2.215 1.00 0.00 N ATOM 0 H GLN A 39 25.107 -1.865 2.329 1.00 0.00 H new ATOM 0 HA GLN A 39 25.222 -2.336 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.831 -2.954 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.811 -4.044 0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.096 -2.940 2.573 1.00 0.00 H new ATOM 0 HG3 GLN A 39 22.234 -1.710 1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.270 -5.121 2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.586 -5.467 2.227 1.00 0.00 H new ATOM 602 N VAL A 40 23.360 -0.421 -0.941 1.00 0.00 N ATOM 603 CA VAL A 40 22.554 0.779 -1.164 1.00 0.00 C ATOM 604 C VAL A 40 21.379 0.385 -2.086 1.00 0.00 C ATOM 605 O VAL A 40 21.568 -0.361 -3.061 1.00 0.00 O ATOM 606 CB VAL A 40 23.393 1.979 -1.774 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.071 1.599 -3.112 1.00 0.00 C ATOM 608 CG2 VAL A 40 22.527 3.257 -1.923 1.00 0.00 C ATOM 0 H VAL A 40 23.243 -1.118 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 40 22.185 1.147 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 40 24.192 2.198 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.633 2.453 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.749 0.760 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.309 1.316 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.133 4.060 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 40 21.686 3.052 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.153 3.559 -0.945 1.00 0.00 H new ATOM 618 N VAL A 41 20.154 0.826 -1.743 1.00 0.00 N ATOM 619 CA VAL A 41 18.946 0.485 -2.516 1.00 0.00 C ATOM 620 C VAL A 41 18.616 1.630 -3.517 1.00 0.00 C ATOM 621 O VAL A 41 18.292 2.759 -3.135 1.00 0.00 O ATOM 622 CB VAL A 41 17.730 0.117 -1.572 1.00 0.00 C ATOM 623 CG1 VAL A 41 17.318 1.274 -0.639 1.00 0.00 C ATOM 624 CG2 VAL A 41 16.529 -0.413 -2.386 1.00 0.00 C ATOM 0 H VAL A 41 19.975 1.420 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 41 19.143 -0.414 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 41 18.077 -0.686 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 41 16.480 0.959 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.160 1.545 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 41 17.023 2.136 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.710 -0.657 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.202 0.351 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 41 16.827 -1.308 -2.933 1.00 0.00 H new ATOM 634 N LEU A 42 18.800 1.317 -4.806 1.00 0.00 N ATOM 635 CA LEU A 42 18.564 2.230 -5.936 1.00 0.00 C ATOM 636 C LEU A 42 17.142 2.012 -6.481 1.00 0.00 C ATOM 637 O LEU A 42 16.586 0.930 -6.321 1.00 0.00 O ATOM 638 CB LEU A 42 19.611 1.939 -7.057 1.00 0.00 C ATOM 639 CG LEU A 42 21.098 1.733 -6.604 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.021 1.469 -7.816 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.616 2.920 -5.762 1.00 0.00 C ATOM 0 H LEU A 42 19.126 0.397 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 42 18.666 3.263 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.293 1.045 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.584 2.765 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 42 21.117 0.850 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.045 1.330 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.689 0.571 -8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 42 21.980 2.319 -8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.650 2.735 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.564 3.835 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.000 3.029 -4.869 1.00 0.00 H new ATOM 653 N LEU A 43 16.561 3.029 -7.121 1.00 0.00 N ATOM 654 CA LEU A 43 15.253 2.907 -7.791 1.00 0.00 C ATOM 655 C LEU A 43 15.479 2.575 -9.273 1.00 0.00 C ATOM 656 O LEU A 43 15.785 3.473 -10.065 1.00 0.00 O ATOM 657 CB LEU A 43 14.463 4.224 -7.613 1.00 0.00 C ATOM 658 CG LEU A 43 13.005 4.269 -8.167 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.135 3.147 -7.562 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.370 5.662 -7.927 1.00 0.00 C ATOM 0 H LEU A 43 16.977 3.958 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 43 14.667 2.102 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.425 4.453 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.029 5.023 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 43 13.052 4.098 -9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.126 3.209 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.568 2.178 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.096 3.261 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.354 5.671 -8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.347 5.872 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.962 6.424 -8.433 1.00 0.00 H new ATOM 672 N ALA A 44 15.384 1.270 -9.613 1.00 0.00 N ATOM 673 CA ALA A 44 15.614 0.743 -10.983 1.00 0.00 C ATOM 674 C ALA A 44 17.033 1.080 -11.519 1.00 0.00 C ATOM 675 O ALA A 44 17.255 1.099 -12.737 1.00 0.00 O ATOM 676 CB ALA A 44 14.512 1.238 -11.948 1.00 0.00 C ATOM 0 H ALA A 44 15.143 0.543 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 44 15.558 -0.344 -10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.698 0.842 -12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.539 0.894 -11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.521 2.327 -11.983 1.00 0.00 H new ATOM 682 N GLY A 45 17.992 1.319 -10.591 1.00 0.00 N ATOM 683 CA GLY A 45 19.373 1.678 -10.944 1.00 0.00 C ATOM 684 C GLY A 45 19.712 3.152 -10.683 1.00 0.00 C ATOM 685 O GLY A 45 20.869 3.548 -10.850 1.00 0.00 O ATOM 0 H GLY A 45 17.824 1.267 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.059 1.050 -10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.538 1.457 -11.999 1.00 0.00 H new ATOM 689 N ALA A 46 18.712 3.962 -10.289 1.00 0.00 N ATOM 690 CA ALA A 46 18.904 5.391 -9.946 1.00 0.00 C ATOM 691 C ALA A 46 19.266 5.549 -8.454 1.00 0.00 C ATOM 692 O ALA A 46 18.452 5.188 -7.596 1.00 0.00 O ATOM 693 CB ALA A 46 17.629 6.196 -10.266 1.00 0.00 C ATOM 0 H ALA A 46 17.746 3.648 -10.198 1.00 0.00 H new ATOM 0 HA ALA A 46 19.727 5.778 -10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.786 7.243 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.404 6.113 -11.329 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.794 5.801 -9.687 1.00 0.00 H new ATOM 699 N PRO A 47 20.494 6.059 -8.109 1.00 0.00 N ATOM 700 CA PRO A 47 20.861 6.360 -6.704 1.00 0.00 C ATOM 701 C PRO A 47 19.985 7.490 -6.116 1.00 0.00 C ATOM 702 O PRO A 47 20.121 8.658 -6.498 1.00 0.00 O ATOM 703 CB PRO A 47 22.362 6.759 -6.790 1.00 0.00 C ATOM 704 CG PRO A 47 22.544 7.223 -8.206 1.00 0.00 C ATOM 705 CD PRO A 47 21.626 6.355 -9.038 1.00 0.00 C ATOM 0 HA PRO A 47 20.699 5.516 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.605 7.549 -6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 47 23.012 5.914 -6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 47 22.287 8.277 -8.309 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.581 7.115 -8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.285 6.874 -9.934 1.00 0.00 H new ATOM 0 HD3 PRO A 47 22.124 5.443 -9.368 1.00 0.00 H new ATOM 713 N LEU A 48 19.054 7.117 -5.224 1.00 0.00 N ATOM 714 CA LEU A 48 18.159 8.075 -4.544 1.00 0.00 C ATOM 715 C LEU A 48 18.852 8.709 -3.331 1.00 0.00 C ATOM 716 O LEU A 48 19.943 8.286 -2.927 1.00 0.00 O ATOM 717 CB LEU A 48 16.853 7.372 -4.085 1.00 0.00 C ATOM 718 CG LEU A 48 15.969 6.740 -5.201 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.649 6.189 -4.609 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.701 7.741 -6.359 1.00 0.00 C ATOM 0 H LEU A 48 18.898 6.146 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 48 17.912 8.860 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.120 6.587 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.248 8.099 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 48 16.521 5.903 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.047 5.752 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.875 5.425 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.094 7.001 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.081 7.263 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.185 8.619 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.649 8.045 -6.804 1.00 0.00 H new ATOM 732 N GLU A 49 18.205 9.740 -2.772 1.00 0.00 N ATOM 733 CA GLU A 49 18.583 10.311 -1.476 1.00 0.00 C ATOM 734 C GLU A 49 18.037 9.377 -0.388 1.00 0.00 C ATOM 735 O GLU A 49 16.836 9.085 -0.376 1.00 0.00 O ATOM 736 CB GLU A 49 18.008 11.753 -1.301 1.00 0.00 C ATOM 737 CG GLU A 49 18.566 12.825 -2.268 1.00 0.00 C ATOM 738 CD GLU A 49 18.190 12.586 -3.742 1.00 0.00 C ATOM 739 OE1 GLU A 49 17.040 12.880 -4.130 1.00 0.00 O ATOM 740 OE2 GLU A 49 19.028 12.077 -4.515 1.00 0.00 O ATOM 0 H GLU A 49 17.405 10.200 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 49 19.668 10.394 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.926 11.709 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.200 12.078 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.197 13.804 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.652 12.852 -2.179 1.00 0.00 H new ATOM 747 N ASP A 50 18.916 8.904 0.506 1.00 0.00 N ATOM 748 CA ASP A 50 18.536 7.974 1.595 1.00 0.00 C ATOM 749 C ASP A 50 17.610 8.662 2.629 1.00 0.00 C ATOM 750 O ASP A 50 16.889 7.999 3.370 1.00 0.00 O ATOM 751 CB ASP A 50 19.804 7.384 2.276 1.00 0.00 C ATOM 752 CG ASP A 50 20.596 8.398 3.123 1.00 0.00 C ATOM 753 OD1 ASP A 50 20.916 9.497 2.612 1.00 0.00 O ATOM 754 OD2 ASP A 50 20.893 8.106 4.302 1.00 0.00 O ATOM 0 H ASP A 50 19.906 9.149 0.501 1.00 0.00 H new ATOM 0 HA ASP A 50 17.973 7.151 1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.506 6.550 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.461 6.979 1.506 1.00 0.00 H new ATOM 759 N GLU A 51 17.629 10.004 2.635 1.00 0.00 N ATOM 760 CA GLU A 51 16.775 10.844 3.504 1.00 0.00 C ATOM 761 C GLU A 51 15.346 10.993 2.927 1.00 0.00 C ATOM 762 O GLU A 51 14.409 11.320 3.661 1.00 0.00 O ATOM 763 CB GLU A 51 17.437 12.233 3.672 1.00 0.00 C ATOM 764 CG GLU A 51 17.608 13.016 2.351 1.00 0.00 C ATOM 765 CD GLU A 51 18.308 14.365 2.538 1.00 0.00 C ATOM 766 OE1 GLU A 51 17.649 15.329 2.983 1.00 0.00 O ATOM 767 OE2 GLU A 51 19.516 14.474 2.246 1.00 0.00 O ATOM 0 H GLU A 51 18.244 10.548 2.030 1.00 0.00 H new ATOM 0 HA GLU A 51 16.682 10.358 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.836 12.829 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.416 12.103 4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.181 12.411 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.628 13.181 1.904 1.00 0.00 H new ATOM 774 N ALA A 52 15.203 10.766 1.608 1.00 0.00 N ATOM 775 CA ALA A 52 13.918 10.908 0.901 1.00 0.00 C ATOM 776 C ALA A 52 13.009 9.695 1.171 1.00 0.00 C ATOM 777 O ALA A 52 13.470 8.550 1.122 1.00 0.00 O ATOM 778 CB ALA A 52 14.153 11.086 -0.613 1.00 0.00 C ATOM 0 H ALA A 52 15.974 10.480 1.004 1.00 0.00 H new ATOM 0 HA ALA A 52 13.415 11.798 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.194 11.189 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.753 11.979 -0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.678 10.215 -1.005 1.00 0.00 H new ATOM 784 N THR A 53 11.732 9.961 1.480 1.00 0.00 N ATOM 785 CA THR A 53 10.698 8.925 1.651 1.00 0.00 C ATOM 786 C THR A 53 10.181 8.443 0.282 1.00 0.00 C ATOM 787 O THR A 53 10.520 9.039 -0.751 1.00 0.00 O ATOM 788 CB THR A 53 9.523 9.482 2.508 1.00 0.00 C ATOM 789 OG1 THR A 53 8.947 10.627 1.864 1.00 0.00 O ATOM 790 CG2 THR A 53 9.993 9.873 3.921 1.00 0.00 C ATOM 0 H THR A 53 11.383 10.909 1.620 1.00 0.00 H new ATOM 0 HA THR A 53 11.140 8.074 2.168 1.00 0.00 H new ATOM 0 HB THR A 53 8.776 8.694 2.600 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.208 10.971 2.408 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.148 10.258 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.402 8.997 4.424 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.762 10.642 3.849 1.00 0.00 H new ATOM 798 N LEU A 54 9.358 7.375 0.281 1.00 0.00 N ATOM 799 CA LEU A 54 8.709 6.860 -0.947 1.00 0.00 C ATOM 800 C LEU A 54 7.742 7.926 -1.504 1.00 0.00 C ATOM 801 O LEU A 54 7.630 8.103 -2.723 1.00 0.00 O ATOM 802 CB LEU A 54 7.938 5.531 -0.665 1.00 0.00 C ATOM 803 CG LEU A 54 8.781 4.239 -0.369 1.00 0.00 C ATOM 804 CD1 LEU A 54 9.805 3.959 -1.487 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.453 4.275 1.024 1.00 0.00 C ATOM 0 H LEU A 54 9.124 6.848 1.122 1.00 0.00 H new ATOM 0 HA LEU A 54 9.484 6.647 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.278 5.702 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.302 5.325 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 54 8.077 3.407 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.369 3.058 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.282 3.818 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.489 4.803 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.023 3.358 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.123 5.133 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.687 4.359 1.795 1.00 0.00 H new ATOM 817 N GLY A 55 7.068 8.633 -0.570 1.00 0.00 N ATOM 818 CA GLY A 55 6.177 9.743 -0.902 1.00 0.00 C ATOM 819 C GLY A 55 6.922 10.932 -1.515 1.00 0.00 C ATOM 820 O GLY A 55 6.435 11.547 -2.470 1.00 0.00 O ATOM 0 H GLY A 55 7.133 8.443 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.416 9.397 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.658 10.070 -0.001 1.00 0.00 H new ATOM 824 N GLN A 56 8.128 11.217 -0.980 1.00 0.00 N ATOM 825 CA GLN A 56 8.978 12.342 -1.432 1.00 0.00 C ATOM 826 C GLN A 56 9.549 12.071 -2.839 1.00 0.00 C ATOM 827 O GLN A 56 9.535 12.953 -3.702 1.00 0.00 O ATOM 828 CB GLN A 56 10.137 12.581 -0.420 1.00 0.00 C ATOM 829 CG GLN A 56 11.040 13.796 -0.729 1.00 0.00 C ATOM 830 CD GLN A 56 10.273 15.123 -0.716 1.00 0.00 C ATOM 831 OE1 GLN A 56 9.780 15.587 -1.743 1.00 0.00 O ATOM 832 NE2 GLN A 56 10.144 15.726 0.454 1.00 0.00 N ATOM 0 H GLN A 56 8.541 10.674 -0.222 1.00 0.00 H new ATOM 0 HA GLN A 56 8.359 13.238 -1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.709 12.710 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.758 11.686 -0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.846 13.840 0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.504 13.659 -1.706 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.564 15.316 1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.624 16.601 0.522 1.00 0.00 H new ATOM 841 N CYS A 57 10.030 10.835 -3.049 1.00 0.00 N ATOM 842 CA CYS A 57 10.668 10.417 -4.313 1.00 0.00 C ATOM 843 C CYS A 57 9.624 10.183 -5.420 1.00 0.00 C ATOM 844 O CYS A 57 9.943 10.278 -6.608 1.00 0.00 O ATOM 845 CB CYS A 57 11.506 9.144 -4.090 1.00 0.00 C ATOM 846 SG CYS A 57 12.373 8.569 -5.570 1.00 0.00 S ATOM 0 H CYS A 57 9.989 10.095 -2.348 1.00 0.00 H new ATOM 0 HA CYS A 57 11.325 11.223 -4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.237 9.335 -3.304 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.852 8.349 -3.732 1.00 0.00 H new ATOM 0 HG CYS A 57 11.775 9.028 -6.629 1.00 0.00 H new ATOM 852 N GLY A 58 8.374 9.889 -5.009 1.00 0.00 N ATOM 853 CA GLY A 58 7.270 9.645 -5.942 1.00 0.00 C ATOM 854 C GLY A 58 7.217 8.206 -6.434 1.00 0.00 C ATOM 855 O GLY A 58 6.863 7.946 -7.589 1.00 0.00 O ATOM 0 H GLY A 58 8.109 9.816 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.327 9.892 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.370 10.313 -6.798 1.00 0.00 H new ATOM 859 N VAL A 59 7.577 7.272 -5.547 1.00 0.00 N ATOM 860 CA VAL A 59 7.518 5.825 -5.816 1.00 0.00 C ATOM 861 C VAL A 59 6.049 5.346 -5.715 1.00 0.00 C ATOM 862 O VAL A 59 5.267 5.912 -4.948 1.00 0.00 O ATOM 863 CB VAL A 59 8.440 5.034 -4.814 1.00 0.00 C ATOM 864 CG1 VAL A 59 8.482 3.514 -5.123 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.869 5.635 -4.794 1.00 0.00 C ATOM 0 H VAL A 59 7.921 7.498 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 59 7.886 5.631 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 59 8.002 5.142 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.131 3.014 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.476 3.100 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.868 3.358 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.490 5.074 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.302 5.576 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.821 6.678 -4.480 1.00 0.00 H new ATOM 875 N GLU A 60 5.684 4.322 -6.502 1.00 0.00 N ATOM 876 CA GLU A 60 4.301 3.799 -6.582 1.00 0.00 C ATOM 877 C GLU A 60 4.264 2.318 -6.157 1.00 0.00 C ATOM 878 O GLU A 60 5.260 1.782 -5.650 1.00 0.00 O ATOM 879 CB GLU A 60 3.778 4.004 -8.036 1.00 0.00 C ATOM 880 CG GLU A 60 4.616 3.284 -9.116 1.00 0.00 C ATOM 881 CD GLU A 60 4.308 3.744 -10.545 1.00 0.00 C ATOM 882 OE1 GLU A 60 4.897 4.749 -10.994 1.00 0.00 O ATOM 883 OE2 GLU A 60 3.482 3.105 -11.228 1.00 0.00 O ATOM 0 H GLU A 60 6.340 3.827 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 60 3.648 4.340 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.749 3.649 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.760 5.071 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.674 3.448 -8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.440 2.211 -9.044 1.00 0.00 H new ATOM 890 N ALA A 61 3.106 1.667 -6.338 1.00 0.00 N ATOM 891 CA ALA A 61 2.941 0.236 -6.037 1.00 0.00 C ATOM 892 C ALA A 61 3.517 -0.622 -7.184 1.00 0.00 C ATOM 893 O ALA A 61 3.535 -0.189 -8.341 1.00 0.00 O ATOM 894 CB ALA A 61 1.455 -0.079 -5.791 1.00 0.00 C ATOM 0 H ALA A 61 2.261 2.114 -6.695 1.00 0.00 H new ATOM 0 HA ALA A 61 3.494 -0.008 -5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.340 -1.140 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.093 0.510 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.878 0.170 -6.682 1.00 0.00 H new ATOM 900 N LEU A 62 4.008 -1.825 -6.826 1.00 0.00 N ATOM 901 CA LEU A 62 4.582 -2.829 -7.764 1.00 0.00 C ATOM 902 C LEU A 62 5.814 -2.282 -8.531 1.00 0.00 C ATOM 903 O LEU A 62 6.144 -2.763 -9.620 1.00 0.00 O ATOM 904 CB LEU A 62 3.501 -3.410 -8.742 1.00 0.00 C ATOM 905 CG LEU A 62 2.371 -4.316 -8.118 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.966 -5.453 -7.249 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.323 -3.492 -7.335 1.00 0.00 C ATOM 0 H LEU A 62 4.020 -2.140 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 62 4.935 -3.657 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.020 -2.573 -9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.016 -3.992 -9.506 1.00 0.00 H new ATOM 0 HG LEU A 62 1.846 -4.781 -8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.158 -6.056 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.610 -6.082 -7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.549 -5.022 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.567 -4.161 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.814 -2.958 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.849 -2.776 -8.006 1.00 0.00 H new ATOM 919 N THR A 63 6.507 -1.302 -7.915 1.00 0.00 N ATOM 920 CA THR A 63 7.755 -0.720 -8.452 1.00 0.00 C ATOM 921 C THR A 63 8.947 -1.650 -8.136 1.00 0.00 C ATOM 922 O THR A 63 8.839 -2.513 -7.260 1.00 0.00 O ATOM 923 CB THR A 63 7.984 0.698 -7.828 1.00 0.00 C ATOM 924 OG1 THR A 63 6.785 1.459 -7.940 1.00 0.00 O ATOM 925 CG2 THR A 63 9.118 1.492 -8.505 1.00 0.00 C ATOM 0 H THR A 63 6.216 -0.891 -7.028 1.00 0.00 H new ATOM 0 HA THR A 63 7.673 -0.619 -9.534 1.00 0.00 H new ATOM 0 HB THR A 63 8.270 0.535 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.372 1.551 -7.056 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.220 2.464 -8.022 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.054 0.940 -8.413 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.883 1.634 -9.560 1.00 0.00 H new ATOM 933 N THR A 64 10.067 -1.472 -8.848 1.00 0.00 N ATOM 934 CA THR A 64 11.275 -2.283 -8.666 1.00 0.00 C ATOM 935 C THR A 64 12.444 -1.408 -8.158 1.00 0.00 C ATOM 936 O THR A 64 13.004 -0.578 -8.886 1.00 0.00 O ATOM 937 CB THR A 64 11.689 -3.009 -9.986 1.00 0.00 C ATOM 938 OG1 THR A 64 10.546 -3.685 -10.533 1.00 0.00 O ATOM 939 CG2 THR A 64 12.826 -4.034 -9.750 1.00 0.00 C ATOM 0 H THR A 64 10.160 -0.757 -9.570 1.00 0.00 H new ATOM 0 HA THR A 64 11.045 -3.045 -7.921 1.00 0.00 H new ATOM 0 HB THR A 64 12.058 -2.255 -10.682 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.801 -4.140 -11.362 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.083 -4.516 -10.693 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.702 -3.521 -9.354 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.494 -4.788 -9.036 1.00 0.00 H new ATOM 947 N LEU A 65 12.747 -1.586 -6.872 1.00 0.00 N ATOM 948 CA LEU A 65 13.996 -1.141 -6.244 1.00 0.00 C ATOM 949 C LEU A 65 15.072 -2.212 -6.521 1.00 0.00 C ATOM 950 O LEU A 65 14.746 -3.327 -6.929 1.00 0.00 O ATOM 951 CB LEU A 65 13.787 -0.941 -4.709 1.00 0.00 C ATOM 952 CG LEU A 65 12.987 0.331 -4.229 1.00 0.00 C ATOM 953 CD1 LEU A 65 13.746 1.636 -4.554 1.00 0.00 C ATOM 954 CD2 LEU A 65 11.541 0.365 -4.788 1.00 0.00 C ATOM 0 H LEU A 65 12.117 -2.055 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 65 14.313 -0.184 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.274 -1.823 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.770 -0.914 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 65 12.905 0.256 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.164 2.491 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.714 1.629 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.897 1.711 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.033 1.260 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.572 0.379 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.000 -0.519 -4.452 1.00 0.00 H new ATOM 966 N GLU A 66 16.345 -1.875 -6.310 1.00 0.00 N ATOM 967 CA GLU A 66 17.463 -2.795 -6.550 1.00 0.00 C ATOM 968 C GLU A 66 18.573 -2.576 -5.517 1.00 0.00 C ATOM 969 O GLU A 66 19.000 -1.449 -5.300 1.00 0.00 O ATOM 970 CB GLU A 66 18.004 -2.614 -7.994 1.00 0.00 C ATOM 971 CG GLU A 66 19.224 -3.497 -8.342 1.00 0.00 C ATOM 972 CD GLU A 66 19.651 -3.384 -9.808 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.993 -2.266 -10.251 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.626 -4.400 -10.527 1.00 0.00 O ATOM 0 H GLU A 66 16.632 -0.958 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 66 17.104 -3.819 -6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.201 -2.833 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.277 -1.568 -8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.062 -3.216 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.987 -4.537 -8.118 1.00 0.00 H new ATOM 981 N VAL A 67 19.046 -3.663 -4.892 1.00 0.00 N ATOM 982 CA VAL A 67 20.215 -3.624 -4.001 1.00 0.00 C ATOM 983 C VAL A 67 21.488 -3.707 -4.858 1.00 0.00 C ATOM 984 O VAL A 67 21.616 -4.604 -5.699 1.00 0.00 O ATOM 985 CB VAL A 67 20.185 -4.793 -2.947 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.470 -4.849 -2.082 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.931 -4.681 -2.057 1.00 0.00 C ATOM 0 H VAL A 67 18.632 -4.590 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 67 20.199 -2.690 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 67 20.143 -5.728 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 67 21.395 -5.673 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.336 -5.002 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.584 -3.911 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.924 -5.496 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.943 -3.727 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 67 18.037 -4.740 -2.678 1.00 0.00 H new ATOM 997 N ALA A 68 22.404 -2.755 -4.649 1.00 0.00 N ATOM 998 CA ALA A 68 23.693 -2.692 -5.350 1.00 0.00 C ATOM 999 C ALA A 68 24.803 -2.303 -4.370 1.00 0.00 C ATOM 1000 O ALA A 68 24.549 -1.632 -3.361 1.00 0.00 O ATOM 1001 CB ALA A 68 23.619 -1.690 -6.517 1.00 0.00 C ATOM 0 H ALA A 68 22.270 -1.997 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 68 23.922 -3.675 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.582 -1.654 -7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.848 -2.006 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.375 -0.700 -6.132 1.00 0.00 H new ATOM 1007 N GLY A 69 26.033 -2.752 -4.661 1.00 0.00 N ATOM 1008 CA GLY A 69 27.195 -2.346 -3.887 1.00 0.00 C ATOM 1009 C GLY A 69 27.839 -1.119 -4.506 1.00 0.00 C ATOM 1010 O GLY A 69 28.744 -1.228 -5.336 1.00 0.00 O ATOM 0 H GLY A 69 26.239 -3.394 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.899 -2.131 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.916 -3.162 -3.846 1.00 0.00 H new ATOM 1014 N ARG A 70 27.331 0.059 -4.117 1.00 0.00 N ATOM 1015 CA ARG A 70 27.934 1.371 -4.440 1.00 0.00 C ATOM 1016 C ARG A 70 28.303 2.087 -3.131 1.00 0.00 C ATOM 1017 O ARG A 70 28.571 3.294 -3.109 1.00 0.00 O ATOM 1018 CB ARG A 70 26.965 2.244 -5.285 1.00 0.00 C ATOM 1019 CG ARG A 70 26.623 1.679 -6.684 1.00 0.00 C ATOM 1020 CD ARG A 70 25.904 2.716 -7.565 1.00 0.00 C ATOM 1021 NE ARG A 70 26.702 3.958 -7.694 1.00 0.00 N ATOM 1022 CZ ARG A 70 26.303 5.093 -8.291 1.00 0.00 C ATOM 1023 NH1 ARG A 70 25.133 5.166 -8.914 1.00 0.00 N ATOM 1024 NH2 ARG A 70 27.103 6.149 -8.287 1.00 0.00 N ATOM 0 H ARG A 70 26.479 0.134 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 70 28.832 1.211 -5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.038 2.375 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 70 27.406 3.233 -5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 70 27.539 1.356 -7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 70 25.992 0.797 -6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 70 25.722 2.293 -8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 70 24.930 2.950 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 70 27.640 3.950 -7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 70 24.520 4.351 -8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 70 24.847 6.037 -9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 70 28.015 6.096 -7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 70 26.807 7.015 -8.738 1.00 0.00 H new ATOM 1038 N MET A 71 28.337 1.297 -2.048 1.00 0.00 N ATOM 1039 CA MET A 71 28.655 1.755 -0.703 1.00 0.00 C ATOM 1040 C MET A 71 29.423 0.622 -0.013 1.00 0.00 C ATOM 1041 O MET A 71 28.834 -0.413 0.312 1.00 0.00 O ATOM 1042 CB MET A 71 27.347 2.112 0.072 1.00 0.00 C ATOM 1043 CG MET A 71 27.535 2.749 1.475 1.00 0.00 C ATOM 1044 SD MET A 71 27.645 4.563 1.465 1.00 0.00 S ATOM 1045 CE MET A 71 29.231 4.898 0.703 1.00 0.00 C ATOM 0 H MET A 71 28.138 0.298 -2.093 1.00 0.00 H new ATOM 0 HA MET A 71 29.263 2.659 -0.728 1.00 0.00 H new ATOM 0 HB2 MET A 71 26.762 2.798 -0.540 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.756 1.203 0.185 1.00 0.00 H new ATOM 0 HG2 MET A 71 26.701 2.451 2.111 1.00 0.00 H new ATOM 0 HG3 MET A 71 28.441 2.344 1.926 1.00 0.00 H new ATOM 0 HE1 MET A 71 29.611 5.855 1.060 1.00 0.00 H new ATOM 0 HE2 MET A 71 29.935 4.108 0.965 1.00 0.00 H new ATOM 0 HE3 MET A 71 29.114 4.935 -0.380 1.00 0.00 H new