USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 387 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -172:sc= 0 (180deg=-0.0308) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 67:sc= 0.753 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.719 K(o=0.72,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -139:sc= -2.14! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.756 -21.037 -5.849 0.01 0.01 N ATOM 2 CA ALA A 1 -9.220 -20.361 -4.610 1.00 0.00 C ATOM 3 C ALA A 1 -8.133 -19.429 -4.058 1.00 0.00 C ATOM 4 O ALA A 1 -8.224 -18.216 -4.243 1.00 0.00 O ATOM 5 CB ALA A 1 -9.761 -21.364 -3.568 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.507 -21.662 -6.205 0.01 0.01 H new ATOM 0 H2 ALA A 1 -8.529 -20.323 -6.570 0.01 0.01 H new ATOM 0 H3 ALA A 1 -7.907 -21.600 -5.640 0.01 0.01 H new ATOM 0 HA ALA A 1 -10.071 -19.730 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.088 -20.824 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.604 -21.910 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.973 -22.067 -3.296 1.00 0.00 H new ATOM 13 N LEU A 2 -7.078 -19.964 -3.427 1.00 0.00 N ATOM 14 CA LEU A 2 -5.891 -19.205 -3.001 1.00 0.00 C ATOM 15 C LEU A 2 -5.019 -18.774 -4.208 1.00 0.00 C ATOM 16 O LEU A 2 -4.087 -19.477 -4.602 1.00 0.00 O ATOM 17 CB LEU A 2 -5.095 -20.032 -1.970 1.00 0.00 C ATOM 18 CG LEU A 2 -3.958 -19.201 -1.329 1.00 0.00 C ATOM 19 CD1 LEU A 2 -4.286 -18.837 0.115 1.00 0.00 C ATOM 20 CD2 LEU A 2 -2.624 -19.942 -1.342 1.00 0.00 C ATOM 0 H LEU A 2 -7.024 -20.955 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.216 -18.281 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.769 -20.389 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.674 -20.912 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.871 -18.298 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.468 -18.253 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.203 -18.249 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.421 -19.748 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.857 -19.319 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.719 -20.873 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.341 -20.164 -2.371 1.00 0.00 H new ATOM 32 N VAL A 3 -5.322 -17.614 -4.793 1.00 0.00 N ATOM 33 CA VAL A 3 -4.548 -16.979 -5.882 1.00 0.00 C ATOM 34 C VAL A 3 -4.339 -15.500 -5.569 1.00 0.00 C ATOM 35 O VAL A 3 -5.296 -14.787 -5.259 1.00 0.00 O ATOM 36 CB VAL A 3 -5.234 -17.127 -7.258 1.00 0.00 C ATOM 37 CG1 VAL A 3 -4.436 -16.432 -8.371 1.00 0.00 C ATOM 38 CG2 VAL A 3 -5.368 -18.606 -7.644 1.00 0.00 C ATOM 0 H VAL A 3 -6.138 -17.066 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.588 -17.492 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.215 -16.662 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.952 -16.559 -9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.347 -15.369 -8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.441 -16.873 -8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.854 -18.686 -8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.378 -19.060 -7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.967 -19.125 -6.896 1.00 0.00 H new ATOM 48 N ASP A 4 -3.077 -15.055 -5.638 1.00 0.00 N ATOM 49 CA ASP A 4 -2.621 -13.702 -5.272 1.00 0.00 C ATOM 50 C ASP A 4 -3.132 -13.224 -3.896 1.00 0.00 C ATOM 51 O ASP A 4 -3.332 -12.033 -3.690 1.00 0.00 O ATOM 52 CB ASP A 4 -2.948 -12.726 -6.430 1.00 0.00 C ATOM 53 CG ASP A 4 -2.189 -13.020 -7.743 1.00 0.00 C ATOM 54 OD1 ASP A 4 -0.949 -13.212 -7.704 1.00 0.00 O ATOM 55 OD2 ASP A 4 -2.830 -13.023 -8.823 1.00 0.00 O ATOM 0 H ASP A 4 -2.314 -15.649 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.539 -13.729 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.019 -12.761 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.716 -11.710 -6.110 1.00 0.00 H new ATOM 60 N GLU A 5 -3.348 -14.143 -2.941 1.00 0.00 N ATOM 61 CA GLU A 5 -3.992 -13.858 -1.633 1.00 0.00 C ATOM 62 C GLU A 5 -3.235 -12.818 -0.807 1.00 0.00 C ATOM 63 O GLU A 5 -3.845 -11.926 -0.224 1.00 0.00 O ATOM 64 CB GLU A 5 -4.168 -15.149 -0.813 1.00 0.00 C ATOM 65 CG GLU A 5 -5.426 -15.168 0.065 1.00 0.00 C ATOM 66 CD GLU A 5 -5.104 -15.048 1.550 1.00 0.00 C ATOM 67 OE1 GLU A 5 -4.625 -16.040 2.143 1.00 0.00 O ATOM 68 OE2 GLU A 5 -5.378 -13.977 2.134 1.00 0.00 O ATOM 0 H GLU A 5 -3.079 -15.121 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.971 -13.437 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.202 -15.998 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.293 -15.285 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.082 -14.349 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.974 -16.094 -0.111 1.00 0.00 H new ATOM 75 N VAL A 6 -1.900 -12.887 -0.840 1.00 0.00 N ATOM 76 CA VAL A 6 -0.998 -11.874 -0.257 1.00 0.00 C ATOM 77 C VAL A 6 -1.194 -10.505 -0.914 1.00 0.00 C ATOM 78 O VAL A 6 -1.354 -9.510 -0.213 1.00 0.00 O ATOM 79 CB VAL A 6 0.480 -12.310 -0.391 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.486 -11.235 0.039 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.767 -13.557 0.455 1.00 0.00 C ATOM 0 H VAL A 6 -1.402 -13.661 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.249 -11.788 0.800 1.00 0.00 H new ATOM 0 HB VAL A 6 0.610 -12.507 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.500 -11.616 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.355 -10.346 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.319 -10.978 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.813 -13.841 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.561 -13.341 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.131 -14.377 0.122 1.00 0.00 H new ATOM 91 N LYS A 7 -1.231 -10.443 -2.250 1.00 0.00 N ATOM 92 CA LYS A 7 -1.493 -9.191 -2.964 1.00 0.00 C ATOM 93 C LYS A 7 -2.872 -8.610 -2.617 1.00 0.00 C ATOM 94 O LYS A 7 -2.919 -7.467 -2.186 1.00 0.00 O ATOM 95 CB LYS A 7 -1.294 -9.359 -4.479 1.00 0.00 C ATOM 96 CG LYS A 7 0.194 -9.412 -4.879 1.00 0.00 C ATOM 97 CD LYS A 7 0.584 -10.718 -5.589 1.00 0.00 C ATOM 98 CE LYS A 7 2.065 -10.744 -6.000 1.00 0.00 C ATOM 99 NZ LYS A 7 2.991 -10.826 -4.847 1.00 0.00 N ATOM 0 H LYS A 7 -1.082 -11.248 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.758 -8.461 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.788 -10.274 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.777 -8.532 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.418 -8.569 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.808 -9.294 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.378 -11.562 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.038 -10.846 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.238 -11.596 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.291 -9.846 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.973 -10.840 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.852 -10.000 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.800 -11.696 -4.309 1.00 0.00 H new ATOM 113 N ASP A 8 -3.975 -9.367 -2.710 1.00 0.00 N ATOM 114 CA ASP A 8 -5.333 -8.934 -2.312 1.00 0.00 C ATOM 115 C ASP A 8 -5.381 -8.340 -0.894 1.00 0.00 C ATOM 116 O ASP A 8 -5.854 -7.225 -0.686 1.00 0.00 O ATOM 117 CB ASP A 8 -6.315 -10.122 -2.460 1.00 0.00 C ATOM 118 CG ASP A 8 -7.566 -9.772 -3.294 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.425 -9.001 -2.803 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.697 -10.281 -4.434 1.00 0.00 O ATOM 0 H ASP A 8 -3.953 -10.320 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.635 -8.127 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.796 -10.959 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.627 -10.454 -1.470 1.00 0.00 H new ATOM 125 N MET A 9 -4.848 -9.101 0.062 1.00 0.00 N ATOM 126 CA MET A 9 -4.791 -8.682 1.470 1.00 0.00 C ATOM 127 C MET A 9 -3.986 -7.374 1.667 1.00 0.00 C ATOM 128 O MET A 9 -4.399 -6.474 2.414 1.00 0.00 O ATOM 129 CB MET A 9 -4.250 -9.812 2.353 1.00 0.00 C ATOM 130 CG MET A 9 -4.499 -9.513 3.839 1.00 0.00 C ATOM 131 SD MET A 9 -5.025 -10.936 4.837 1.00 0.00 S ATOM 132 CE MET A 9 -6.710 -11.154 4.192 1.00 0.00 C ATOM 0 H MET A 9 -4.444 -10.021 -0.112 1.00 0.00 H new ATOM 0 HA MET A 9 -5.813 -8.465 1.782 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.730 -10.752 2.082 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.182 -9.937 2.177 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.584 -9.106 4.269 1.00 0.00 H new ATOM 0 HG3 MET A 9 -5.260 -8.736 3.914 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.236 -11.897 4.792 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.244 -10.205 4.240 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.662 -11.491 3.157 1.00 0.00 H new ATOM 142 N GLU A 10 -2.875 -7.223 0.936 1.00 0.00 N ATOM 143 CA GLU A 10 -2.107 -5.970 0.895 1.00 0.00 C ATOM 144 C GLU A 10 -2.829 -4.847 0.154 1.00 0.00 C ATOM 145 O GLU A 10 -2.771 -3.725 0.633 1.00 0.00 O ATOM 146 CB GLU A 10 -0.694 -6.138 0.313 1.00 0.00 C ATOM 147 CG GLU A 10 0.400 -6.269 1.380 1.00 0.00 C ATOM 148 CD GLU A 10 0.773 -7.707 1.712 1.00 0.00 C ATOM 149 OE1 GLU A 10 0.090 -8.324 2.560 1.00 0.00 O ATOM 150 OE2 GLU A 10 1.823 -8.167 1.209 1.00 0.00 O ATOM 0 H GLU A 10 -2.482 -7.965 0.356 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.012 -5.687 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.676 -7.022 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.468 -5.282 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.291 -5.743 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.066 -5.772 2.291 1.00 0.00 H new ATOM 157 N ILE A 11 -3.571 -5.066 -0.934 1.00 0.00 N ATOM 158 CA ILE A 11 -4.339 -4.034 -1.653 1.00 0.00 C ATOM 159 C ILE A 11 -5.501 -3.503 -0.793 1.00 0.00 C ATOM 160 O ILE A 11 -5.746 -2.301 -0.753 1.00 0.00 O ATOM 161 CB ILE A 11 -4.887 -4.679 -2.951 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.741 -4.992 -3.936 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.965 -3.841 -3.665 1.00 0.00 C ATOM 164 CD1 ILE A 11 -4.078 -6.178 -4.851 1.00 0.00 C ATOM 0 H ILE A 11 -3.660 -5.991 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.694 -3.186 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.370 -5.602 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.535 -4.111 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.832 -5.212 -3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.295 -4.362 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.814 -3.695 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.549 -2.872 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.244 -6.364 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.258 -7.066 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.972 -5.948 -5.431 1.00 0.00 H new ATOM 176 N ALA A 12 -6.206 -4.383 -0.078 1.00 0.00 N ATOM 177 CA ALA A 12 -7.186 -3.989 0.942 1.00 0.00 C ATOM 178 C ALA A 12 -6.596 -2.989 1.964 1.00 0.00 C ATOM 179 O ALA A 12 -7.253 -2.023 2.364 1.00 0.00 O ATOM 180 CB ALA A 12 -7.720 -5.252 1.626 1.00 0.00 C ATOM 0 H ALA A 12 -6.114 -5.393 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.009 -3.465 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.449 -4.973 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.196 -5.894 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.895 -5.789 2.094 1.00 0.00 H new ATOM 186 N ARG A 13 -5.321 -3.174 2.327 1.00 0.00 N ATOM 187 CA ARG A 13 -4.536 -2.204 3.099 1.00 0.00 C ATOM 188 C ARG A 13 -4.350 -0.828 2.384 1.00 0.00 C ATOM 189 O ARG A 13 -4.441 0.209 3.045 1.00 0.00 O ATOM 190 CB ARG A 13 -3.206 -2.885 3.496 1.00 0.00 C ATOM 191 CG ARG A 13 -3.157 -3.262 4.981 1.00 0.00 C ATOM 192 CD ARG A 13 -1.884 -4.064 5.286 1.00 0.00 C ATOM 193 NE ARG A 13 -2.001 -4.812 6.552 1.00 0.00 N ATOM 194 CZ ARG A 13 -1.434 -4.545 7.717 1.00 0.00 C ATOM 195 NH1 ARG A 13 -0.703 -3.483 7.914 1.00 0.00 N ATOM 196 NH2 ARG A 13 -1.592 -5.356 8.724 1.00 0.00 N ATOM 0 H ARG A 13 -4.797 -4.016 2.088 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.086 -1.931 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.067 -3.782 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.377 -2.215 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.182 -2.360 5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.037 -3.850 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.687 -4.759 4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.032 -3.387 5.341 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.595 -5.641 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.551 -2.821 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.284 -3.315 8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.154 -6.200 8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.153 -5.147 9.621 1.00 0.00 H new ATOM 210 N LEU A 14 -4.189 -0.772 1.050 1.00 0.00 N ATOM 211 CA LEU A 14 -4.219 0.475 0.254 1.00 0.00 C ATOM 212 C LEU A 14 -5.574 1.195 0.307 1.00 0.00 C ATOM 213 O LEU A 14 -5.608 2.387 0.610 1.00 0.00 O ATOM 214 CB LEU A 14 -3.794 0.284 -1.226 1.00 0.00 C ATOM 215 CG LEU A 14 -2.282 0.103 -1.404 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.888 -1.355 -1.276 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.747 0.675 -2.715 1.00 0.00 C ATOM 0 H LEU A 14 -4.031 -1.604 0.482 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.473 1.105 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.308 -0.586 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.120 1.148 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.822 0.677 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.810 -1.454 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.169 -1.723 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.401 -1.939 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.671 0.510 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.235 0.179 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.953 1.745 -2.756 1.00 0.00 H new ATOM 229 N MET A 15 -6.695 0.509 0.071 1.00 0.00 N ATOM 230 CA MET A 15 -8.048 1.060 0.281 1.00 0.00 C ATOM 231 C MET A 15 -8.233 1.738 1.651 1.00 0.00 C ATOM 232 O MET A 15 -8.767 2.844 1.731 1.00 0.00 O ATOM 233 CB MET A 15 -9.067 -0.085 0.106 1.00 0.00 C ATOM 234 CG MET A 15 -9.946 0.037 -1.144 1.00 0.00 C ATOM 235 SD MET A 15 -11.527 0.895 -0.879 1.00 0.00 S ATOM 236 CE MET A 15 -11.114 2.580 -1.394 1.00 0.00 C ATOM 0 H MET A 15 -6.696 -0.451 -0.274 1.00 0.00 H new ATOM 0 HA MET A 15 -8.206 1.846 -0.457 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.528 -1.032 0.066 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.710 -0.121 0.986 1.00 0.00 H new ATOM 0 HG2 MET A 15 -9.386 0.566 -1.915 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.150 -0.963 -1.527 1.00 0.00 H new ATOM 0 HE1 MET A 15 -11.990 3.219 -1.285 1.00 0.00 H new ATOM 0 HE2 MET A 15 -10.306 2.963 -0.771 1.00 0.00 H new ATOM 0 HE3 MET A 15 -10.796 2.574 -2.437 1.00 0.00 H new ATOM 246 N SER A 16 -7.737 1.090 2.710 1.00 0.00 N ATOM 247 CA SER A 16 -7.726 1.665 4.063 1.00 0.00 C ATOM 248 C SER A 16 -7.023 3.042 4.115 1.00 0.00 C ATOM 249 O SER A 16 -7.541 3.983 4.727 1.00 0.00 O ATOM 250 CB SER A 16 -7.084 0.705 5.070 1.00 0.00 C ATOM 251 OG SER A 16 -7.523 1.003 6.386 1.00 0.00 O ATOM 0 H SER A 16 -7.333 0.155 2.656 1.00 0.00 H new ATOM 0 HA SER A 16 -8.769 1.819 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.343 -0.323 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.998 0.783 5.015 1.00 0.00 H new ATOM 0 HG SER A 16 -7.106 0.381 7.019 1.00 0.00 H new ATOM 257 N LEU A 17 -5.882 3.196 3.426 1.00 0.00 N ATOM 258 CA LEU A 17 -5.203 4.489 3.271 1.00 0.00 C ATOM 259 C LEU A 17 -5.864 5.478 2.288 1.00 0.00 C ATOM 260 O LEU A 17 -5.620 6.679 2.436 1.00 0.00 O ATOM 261 CB LEU A 17 -3.701 4.290 2.960 1.00 0.00 C ATOM 262 CG LEU A 17 -2.880 4.020 4.233 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.445 3.666 3.893 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.818 5.223 5.195 1.00 0.00 C ATOM 0 H LEU A 17 -5.404 2.425 2.960 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.309 4.976 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.581 3.457 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.313 5.178 2.460 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.397 3.194 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.889 3.480 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.429 2.771 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.985 4.492 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.223 4.959 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.360 6.072 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.827 5.490 5.510 1.00 0.00 H new ATOM 276 N GLY A 18 -6.721 5.074 1.336 1.00 0.00 N ATOM 277 CA GLY A 18 -7.450 6.007 0.457 1.00 0.00 C ATOM 278 C GLY A 18 -6.781 6.090 -0.918 1.00 0.00 C ATOM 279 O GLY A 18 -6.183 7.120 -1.236 1.00 0.00 O ATOM 0 H GLY A 18 -6.929 4.092 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.483 5.677 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.479 6.997 0.913 1.00 0.00 H new ATOM 283 N LEU A 19 -6.780 5.004 -1.710 1.00 0.00 N ATOM 284 CA LEU A 19 -5.998 4.843 -2.945 1.00 0.00 C ATOM 285 C LEU A 19 -6.851 4.177 -4.075 1.00 0.00 C ATOM 286 O LEU A 19 -8.032 3.869 -3.896 1.00 0.00 O ATOM 287 CB LEU A 19 -4.738 4.005 -2.589 1.00 0.00 C ATOM 288 CG LEU A 19 -3.671 4.815 -1.828 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.674 3.947 -1.064 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.852 5.684 -2.787 1.00 0.00 C ATOM 0 H LEU A 19 -7.347 4.183 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.696 5.814 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.037 3.149 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.301 3.610 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.238 5.418 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.953 4.585 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.206 3.341 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.150 3.294 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.107 6.245 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.352 5.048 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.514 6.379 -3.304 1.00 0.00 H new ATOM 302 N SER A 20 -6.205 4.030 -5.234 1.00 0.00 N ATOM 303 CA SER A 20 -6.747 3.483 -6.494 1.00 0.00 C ATOM 304 C SER A 20 -7.174 1.979 -6.374 1.00 0.00 C ATOM 305 O SER A 20 -7.370 1.464 -5.270 1.00 0.00 O ATOM 306 CB SER A 20 -5.770 3.783 -7.643 1.00 0.00 C ATOM 307 OG SER A 20 -5.399 5.152 -7.662 1.00 0.00 O ATOM 0 H SER A 20 -5.228 4.305 -5.331 1.00 0.00 H new ATOM 0 HA SER A 20 -7.684 3.988 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.879 3.164 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.231 3.516 -8.594 1.00 0.00 H new ATOM 0 HG SER A 20 -4.776 5.312 -8.402 1.00 0.00 H new ATOM 313 N ILE A 21 -7.296 1.240 -7.489 1.00 0.00 N ATOM 314 CA ILE A 21 -7.667 -0.201 -7.475 1.00 0.00 C ATOM 315 C ILE A 21 -6.608 -1.055 -8.190 1.00 0.00 C ATOM 316 O ILE A 21 -5.681 -1.537 -7.545 1.00 0.00 O ATOM 317 CB ILE A 21 -9.105 -0.442 -8.012 1.00 0.00 C ATOM 318 CG1 ILE A 21 -10.179 0.293 -7.180 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.423 -1.957 -8.049 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.548 0.333 -7.884 1.00 0.00 C ATOM 0 H ILE A 21 -7.143 1.614 -8.425 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.683 -0.528 -6.435 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.134 -0.034 -9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.286 -0.200 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.846 1.312 -6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.434 -2.107 -8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.712 -2.462 -8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.347 -2.369 -7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.265 0.861 -7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.451 0.851 -8.838 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.898 -0.685 -8.057 1.00 0.00 H new ATOM 332 N GLU A 22 -6.683 -1.161 -9.520 1.00 0.00 N ATOM 333 CA GLU A 22 -5.680 -1.881 -10.343 1.00 0.00 C ATOM 334 C GLU A 22 -4.371 -1.092 -10.456 1.00 0.00 C ATOM 335 O GLU A 22 -3.277 -1.658 -10.467 1.00 0.00 O ATOM 336 CB GLU A 22 -6.233 -2.169 -11.746 1.00 0.00 C ATOM 337 CG GLU A 22 -5.527 -3.350 -12.408 1.00 0.00 C ATOM 338 CD GLU A 22 -5.933 -3.441 -13.874 1.00 0.00 C ATOM 339 OE1 GLU A 22 -6.975 -4.070 -14.169 1.00 0.00 O ATOM 340 OE2 GLU A 22 -5.203 -2.891 -14.728 1.00 0.00 O ATOM 0 H GLU A 22 -7.440 -0.752 -10.067 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.469 -2.825 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.301 -2.376 -11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.119 -1.282 -12.370 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.447 -3.231 -12.328 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.785 -4.275 -11.892 1.00 0.00 H new ATOM 347 N GLU A 23 -4.505 0.241 -10.448 1.00 0.00 N ATOM 348 CA GLU A 23 -3.363 1.167 -10.410 1.00 0.00 C ATOM 349 C GLU A 23 -2.693 1.170 -9.045 1.00 0.00 C ATOM 350 O GLU A 23 -1.479 1.010 -8.993 1.00 0.00 O ATOM 351 CB GLU A 23 -3.732 2.591 -10.833 1.00 0.00 C ATOM 352 CG GLU A 23 -2.519 3.372 -11.346 1.00 0.00 C ATOM 353 CD GLU A 23 -2.159 2.974 -12.776 1.00 0.00 C ATOM 354 OE1 GLU A 23 -2.728 3.572 -13.717 1.00 0.00 O ATOM 355 OE2 GLU A 23 -1.288 2.095 -12.959 1.00 0.00 O ATOM 0 H GLU A 23 -5.411 0.710 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.651 0.793 -11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.493 2.551 -11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.170 3.118 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.730 4.441 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.666 3.192 -10.692 1.00 0.00 H new ATOM 362 N ALA A 24 -3.428 1.238 -7.924 1.00 0.00 N ATOM 363 CA ALA A 24 -2.862 1.025 -6.594 1.00 0.00 C ATOM 364 C ALA A 24 -2.162 -0.332 -6.450 1.00 0.00 C ATOM 365 O ALA A 24 -1.032 -0.347 -5.985 1.00 0.00 O ATOM 366 CB ALA A 24 -3.989 1.164 -5.566 1.00 0.00 C ATOM 0 H ALA A 24 -4.427 1.442 -7.920 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.090 1.776 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.589 1.009 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.422 2.162 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.760 0.420 -5.768 1.00 0.00 H new ATOM 372 N THR A 25 -2.759 -1.445 -6.890 1.00 0.00 N ATOM 373 CA THR A 25 -2.075 -2.755 -6.865 1.00 0.00 C ATOM 374 C THR A 25 -0.672 -2.732 -7.481 1.00 0.00 C ATOM 375 O THR A 25 0.278 -3.277 -6.911 1.00 0.00 O ATOM 376 CB THR A 25 -2.856 -3.848 -7.602 1.00 0.00 C ATOM 377 OG1 THR A 25 -4.163 -3.962 -7.103 1.00 0.00 O ATOM 378 CG2 THR A 25 -2.176 -5.217 -7.500 1.00 0.00 C ATOM 0 H THR A 25 -3.707 -1.472 -7.266 1.00 0.00 H new ATOM 0 HA THR A 25 -2.008 -2.977 -5.800 1.00 0.00 H new ATOM 0 HB THR A 25 -2.882 -3.545 -8.649 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.669 -3.152 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.767 -5.958 -8.038 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.179 -5.162 -7.937 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.097 -5.507 -6.452 1.00 0.00 H new ATOM 386 N GLU A 26 -0.532 -2.047 -8.623 1.00 0.00 N ATOM 387 CA GLU A 26 0.787 -1.834 -9.240 1.00 0.00 C ATOM 388 C GLU A 26 1.633 -0.801 -8.512 1.00 0.00 C ATOM 389 O GLU A 26 2.848 -0.962 -8.487 1.00 0.00 O ATOM 390 CB GLU A 26 0.694 -1.434 -10.721 1.00 0.00 C ATOM 391 CG GLU A 26 1.236 -2.564 -11.593 1.00 0.00 C ATOM 392 CD GLU A 26 1.357 -2.101 -13.037 1.00 0.00 C ATOM 393 OE1 GLU A 26 2.413 -1.528 -13.388 1.00 0.00 O ATOM 394 OE2 GLU A 26 0.411 -2.334 -13.821 1.00 0.00 O ATOM 0 H GLU A 26 -1.309 -1.632 -9.137 1.00 0.00 H new ATOM 0 HA GLU A 26 1.276 -2.805 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.342 -1.222 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.262 -0.521 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.210 -2.883 -11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.574 -3.428 -11.535 1.00 0.00 H new ATOM 401 N PHE A 27 1.044 0.221 -7.891 1.00 0.00 N ATOM 402 CA PHE A 27 1.800 1.206 -7.125 1.00 0.00 C ATOM 403 C PHE A 27 2.389 0.540 -5.879 1.00 0.00 C ATOM 404 O PHE A 27 3.599 0.412 -5.808 1.00 0.00 O ATOM 405 CB PHE A 27 0.932 2.418 -6.774 1.00 0.00 C ATOM 406 CG PHE A 27 1.730 3.647 -6.379 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.439 4.345 -7.379 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.756 4.120 -5.047 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.089 5.552 -7.076 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.391 5.340 -4.753 1.00 0.00 C ATOM 411 CZ PHE A 27 3.045 6.063 -5.767 1.00 0.00 C ATOM 0 H PHE A 27 0.038 0.387 -7.905 1.00 0.00 H new ATOM 0 HA PHE A 27 2.623 1.581 -7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.304 2.664 -7.630 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.265 2.151 -5.955 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.482 3.949 -8.383 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.290 3.547 -4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.622 6.087 -7.848 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.376 5.724 -3.744 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.513 7.010 -5.540 1.00 0.00 H new ATOM 421 N TYR A 28 1.574 -0.008 -4.970 1.00 0.00 N ATOM 422 CA TYR A 28 1.980 -0.857 -3.839 1.00 0.00 C ATOM 423 C TYR A 28 3.155 -1.815 -4.128 1.00 0.00 C ATOM 424 O TYR A 28 4.195 -1.703 -3.484 1.00 0.00 O ATOM 425 CB TYR A 28 0.708 -1.566 -3.314 1.00 0.00 C ATOM 426 CG TYR A 28 0.779 -3.042 -2.991 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.564 -3.454 -1.914 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.069 -4.001 -3.738 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.757 -4.822 -1.672 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.249 -5.371 -3.486 1.00 0.00 C ATOM 431 CZ TYR A 28 1.144 -5.779 -2.486 1.00 0.00 C ATOM 432 OH TYR A 28 1.415 -7.097 -2.294 1.00 0.00 O ATOM 0 H TYR A 28 0.564 0.134 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 28 2.405 -0.224 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.388 -1.045 -2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.078 -1.428 -4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.023 -2.721 -1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.617 -3.682 -4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.384 -5.138 -0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.298 -6.105 -4.058 1.00 0.00 H new ATOM 0 HH TYR A 28 1.624 -7.254 -1.349 1.00 0.00 H new ATOM 442 N GLU A 29 2.988 -2.752 -5.071 1.00 0.00 N ATOM 443 CA GLU A 29 4.070 -3.714 -5.408 1.00 0.00 C ATOM 444 C GLU A 29 5.379 -3.093 -5.931 1.00 0.00 C ATOM 445 O GLU A 29 6.450 -3.652 -5.693 1.00 0.00 O ATOM 446 CB GLU A 29 3.613 -4.767 -6.425 1.00 0.00 C ATOM 447 CG GLU A 29 2.942 -5.957 -5.746 1.00 0.00 C ATOM 448 CD GLU A 29 2.898 -7.132 -6.709 1.00 0.00 C ATOM 449 OE1 GLU A 29 1.929 -7.229 -7.493 1.00 0.00 O ATOM 450 OE2 GLU A 29 3.833 -7.963 -6.664 1.00 0.00 O ATOM 0 H GLU A 29 2.132 -2.872 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 29 4.289 -4.167 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.918 -4.313 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.472 -5.113 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.491 -6.232 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.932 -5.690 -5.435 1.00 0.00 H new ATOM 457 N ASN A 30 5.316 -1.955 -6.624 1.00 0.00 N ATOM 458 CA ASN A 30 6.508 -1.231 -7.116 1.00 0.00 C ATOM 459 C ASN A 30 7.183 -0.393 -6.002 1.00 0.00 C ATOM 460 O ASN A 30 8.397 -0.445 -5.797 1.00 0.00 O ATOM 461 CB ASN A 30 6.084 -0.337 -8.300 1.00 0.00 C ATOM 462 CG ASN A 30 6.185 -1.091 -9.617 1.00 0.00 C ATOM 463 OD1 ASN A 30 7.215 -1.080 -10.279 1.00 0.00 O ATOM 464 ND2 ASN A 30 5.143 -1.784 -10.029 1.00 0.00 N ATOM 0 H ASN A 30 4.435 -1.500 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 30 7.251 -1.958 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.061 0.007 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.717 0.550 -8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.194 -2.312 -10.900 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.285 -1.792 -9.477 1.00 0.00 H new ATOM 471 N ASP A 31 6.324 0.348 -5.303 1.00 0.00 N ATOM 472 CA ASP A 31 6.599 1.096 -4.071 1.00 0.00 C ATOM 473 C ASP A 31 7.308 0.175 -3.077 1.00 0.00 C ATOM 474 O ASP A 31 8.516 0.353 -2.912 1.00 0.00 O ATOM 475 CB ASP A 31 5.388 1.837 -3.488 1.00 0.00 C ATOM 476 CG ASP A 31 5.183 3.230 -4.130 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.199 3.345 -5.379 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.068 4.217 -3.364 1.00 0.00 O ATOM 0 H ASP A 31 5.353 0.450 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 31 7.270 1.919 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.491 1.236 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.519 1.952 -2.412 1.00 0.00 H new ATOM 483 N VAL A 32 6.661 -0.850 -2.490 1.00 0.00 N ATOM 484 CA VAL A 32 7.354 -1.809 -1.593 1.00 0.00 C ATOM 485 C VAL A 32 6.528 -3.043 -1.093 1.00 0.00 C ATOM 486 O VAL A 32 6.800 -4.164 -1.512 1.00 0.00 O ATOM 487 CB VAL A 32 7.813 -1.038 -0.336 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.659 -0.179 0.263 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.493 -1.967 0.674 1.00 0.00 C ATOM 0 H VAL A 32 5.667 -1.039 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 32 8.158 -2.221 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 32 8.579 -0.322 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.019 0.349 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.320 0.544 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.829 -0.828 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.803 -1.392 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.793 -2.744 0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.367 -2.428 0.214 1.00 0.00 H new ATOM 499 N THR A 33 5.571 -2.829 -0.172 1.00 0.00 N ATOM 500 CA THR A 33 4.812 -3.833 0.624 1.00 0.00 C ATOM 501 C THR A 33 3.580 -3.180 1.283 1.00 0.00 C ATOM 502 O THR A 33 2.473 -3.587 0.963 1.00 0.00 O ATOM 503 CB THR A 33 5.600 -4.537 1.754 1.00 0.00 C ATOM 504 OG1 THR A 33 6.074 -3.627 2.725 1.00 0.00 O ATOM 505 CG2 THR A 33 6.770 -5.402 1.291 1.00 0.00 C ATOM 0 H THR A 33 5.280 -1.879 0.059 1.00 0.00 H new ATOM 0 HA THR A 33 4.552 -4.593 -0.113 1.00 0.00 H new ATOM 0 HB THR A 33 4.857 -5.205 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.564 -4.115 3.419 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.256 -5.851 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.402 -6.189 0.633 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.488 -4.784 0.751 1.00 0.00 H new ATOM 513 N TYR A 34 3.651 -2.129 2.126 1.00 0.00 N ATOM 514 CA TYR A 34 2.497 -1.323 2.610 1.00 0.00 C ATOM 515 C TYR A 34 2.976 -0.221 3.609 1.00 0.00 C ATOM 516 O TYR A 34 2.786 0.972 3.416 1.00 0.00 O ATOM 517 CB TYR A 34 1.463 -2.206 3.337 1.00 0.00 C ATOM 518 CG TYR A 34 0.552 -1.439 4.278 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.517 -0.674 3.783 1.00 0.00 C ATOM 520 CD2 TYR A 34 0.832 -1.434 5.655 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.350 0.028 4.672 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.022 -0.696 6.539 1.00 0.00 C ATOM 523 CZ TYR A 34 -1.083 0.016 6.049 1.00 0.00 C ATOM 524 OH TYR A 34 -1.894 0.687 6.914 1.00 0.00 O ATOM 0 H TYR A 34 4.540 -1.802 2.505 1.00 0.00 H new ATOM 0 HA TYR A 34 2.038 -0.867 1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.852 -2.720 2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.990 -2.974 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.699 -0.625 2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.671 -1.998 6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.198 0.578 4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.251 -0.678 7.594 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.563 0.571 7.829 1.00 0.00 H new ATOM 534 N GLU A 35 3.670 -0.732 4.633 1.00 0.00 N ATOM 535 CA GLU A 35 4.246 0.063 5.752 1.00 0.00 C ATOM 536 C GLU A 35 5.333 1.023 5.267 1.00 0.00 C ATOM 537 O GLU A 35 5.371 2.190 5.664 1.00 0.00 O ATOM 538 CB GLU A 35 4.733 -0.726 6.978 1.00 0.00 C ATOM 539 CG GLU A 35 3.713 -0.781 8.123 1.00 0.00 C ATOM 540 CD GLU A 35 3.362 0.599 8.679 1.00 0.00 C ATOM 541 OE1 GLU A 35 4.239 1.240 9.300 1.00 0.00 O ATOM 542 OE2 GLU A 35 2.189 1.009 8.544 1.00 0.00 O ATOM 0 H GLU A 35 3.857 -1.731 4.719 1.00 0.00 H new ATOM 0 HA GLU A 35 3.386 0.626 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.976 -1.743 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.655 -0.275 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.803 -1.266 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.111 -1.400 8.927 1.00 0.00 H new ATOM 549 N ARG A 36 6.161 0.568 4.323 1.00 0.00 N ATOM 550 CA ARG A 36 7.169 1.434 3.714 1.00 0.00 C ATOM 551 C ARG A 36 6.528 2.507 2.800 1.00 0.00 C ATOM 552 O ARG A 36 6.884 3.677 2.940 1.00 0.00 O ATOM 553 CB ARG A 36 8.231 0.601 2.974 1.00 0.00 C ATOM 554 CG ARG A 36 9.643 0.643 3.585 1.00 0.00 C ATOM 555 CD ARG A 36 10.714 0.477 2.491 1.00 0.00 C ATOM 556 NE ARG A 36 11.995 1.081 2.883 1.00 0.00 N ATOM 557 CZ ARG A 36 12.954 1.474 2.059 1.00 0.00 C ATOM 558 NH1 ARG A 36 12.892 1.292 0.765 1.00 0.00 N ATOM 559 NH2 ARG A 36 14.011 2.075 2.530 1.00 0.00 N ATOM 0 H ARG A 36 6.153 -0.388 3.967 1.00 0.00 H new ATOM 0 HA ARG A 36 7.675 1.973 4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.898 -0.436 2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.289 0.950 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.791 1.589 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.748 -0.149 4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.861 -0.583 2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.363 0.937 1.567 1.00 0.00 H new ATOM 0 HE ARG A 36 12.161 1.209 3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.081 0.831 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.655 1.611 0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.099 2.242 3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.750 2.378 1.896 1.00 0.00 H new ATOM 573 N TYR A 37 5.567 2.203 1.900 1.00 0.00 N ATOM 574 CA TYR A 37 4.965 3.254 1.055 1.00 0.00 C ATOM 575 C TYR A 37 4.143 4.236 1.885 1.00 0.00 C ATOM 576 O TYR A 37 4.257 5.430 1.666 1.00 0.00 O ATOM 577 CB TYR A 37 4.144 2.685 -0.133 1.00 0.00 C ATOM 578 CG TYR A 37 2.661 2.439 0.092 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.784 3.531 0.250 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.155 1.131 0.187 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.464 3.326 0.673 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.815 0.932 0.573 1.00 0.00 C ATOM 583 CZ TYR A 37 -0.005 2.026 0.868 1.00 0.00 C ATOM 584 OH TYR A 37 -1.253 1.823 1.353 1.00 0.00 O ATOM 0 H TYR A 37 5.200 1.264 1.743 1.00 0.00 H new ATOM 0 HA TYR A 37 5.797 3.802 0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.247 3.372 -0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.599 1.742 -0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.132 4.532 0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.789 0.285 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.187 4.170 0.847 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.419 -0.070 0.642 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.235 1.095 2.009 1.00 0.00 H new ATOM 594 N LEU A 38 3.333 3.741 2.826 1.00 0.00 N ATOM 595 CA LEU A 38 2.639 4.598 3.803 1.00 0.00 C ATOM 596 C LEU A 38 3.594 5.666 4.367 1.00 0.00 C ATOM 597 O LEU A 38 3.243 6.842 4.401 1.00 0.00 O ATOM 598 CB LEU A 38 2.057 3.729 4.941 1.00 0.00 C ATOM 599 CG LEU A 38 1.450 4.506 6.142 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.521 3.622 6.985 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.479 5.081 7.132 1.00 0.00 C ATOM 0 H LEU A 38 3.139 2.746 2.935 1.00 0.00 H new ATOM 0 HA LEU A 38 1.821 5.113 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.284 3.084 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.847 3.078 5.316 1.00 0.00 H new ATOM 0 HG LEU A 38 0.921 5.324 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.118 4.204 7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.298 3.259 6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.082 2.774 7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.959 5.605 7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.072 4.269 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.136 5.777 6.611 1.00 0.00 H new ATOM 613 N GLU A 39 4.823 5.237 4.682 1.00 0.00 N ATOM 614 CA GLU A 39 5.881 6.194 5.053 1.00 0.00 C ATOM 615 C GLU A 39 6.271 7.198 3.961 1.00 0.00 C ATOM 616 O GLU A 39 6.362 8.392 4.252 1.00 0.00 O ATOM 617 CB GLU A 39 7.130 5.546 5.675 1.00 0.00 C ATOM 618 CG GLU A 39 7.299 6.023 7.122 1.00 0.00 C ATOM 619 CD GLU A 39 8.749 5.919 7.577 1.00 0.00 C ATOM 620 OE1 GLU A 39 9.286 4.791 7.634 1.00 0.00 O ATOM 621 OE2 GLU A 39 9.343 6.974 7.896 1.00 0.00 O ATOM 0 H GLU A 39 5.108 4.258 4.689 1.00 0.00 H new ATOM 0 HA GLU A 39 5.394 6.776 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.038 4.460 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.014 5.805 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.963 7.056 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.666 5.427 7.779 1.00 0.00 H new ATOM 628 N ILE A 40 6.474 6.796 2.703 1.00 0.00 N ATOM 629 CA ILE A 40 6.946 7.673 1.617 1.00 0.00 C ATOM 630 C ILE A 40 5.834 8.612 1.086 1.00 0.00 C ATOM 631 O ILE A 40 6.069 9.812 0.965 1.00 0.00 O ATOM 632 CB ILE A 40 7.498 6.755 0.491 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.799 6.039 0.937 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.766 7.530 -0.814 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.062 4.724 0.186 1.00 0.00 C ATOM 0 H ILE A 40 6.313 5.835 2.401 1.00 0.00 H new ATOM 0 HA ILE A 40 7.726 8.335 1.994 1.00 0.00 H new ATOM 0 HB ILE A 40 6.724 6.012 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.644 6.710 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.743 5.833 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.151 6.846 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.838 7.978 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.500 8.314 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.988 4.277 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.235 4.035 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.150 4.926 -0.881 1.00 0.00 H new ATOM 647 N LEU A 41 4.616 8.120 0.819 1.00 0.00 N ATOM 648 CA LEU A 41 3.414 8.910 0.488 1.00 0.00 C ATOM 649 C LEU A 41 3.136 9.972 1.575 1.00 0.00 C ATOM 650 O LEU A 41 3.061 11.166 1.302 1.00 0.00 O ATOM 651 CB LEU A 41 2.184 7.964 0.376 1.00 0.00 C ATOM 652 CG LEU A 41 1.890 7.282 -0.974 1.00 0.00 C ATOM 653 CD1 LEU A 41 0.548 6.546 -0.910 1.00 0.00 C ATOM 654 CD2 LEU A 41 1.797 8.299 -2.113 1.00 0.00 C ATOM 0 H LEU A 41 4.430 7.117 0.827 1.00 0.00 H new ATOM 0 HA LEU A 41 3.587 9.416 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.303 7.179 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.300 8.538 0.655 1.00 0.00 H new ATOM 0 HG LEU A 41 2.712 6.592 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.349 6.067 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.585 5.788 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.247 7.258 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.589 7.780 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.995 9.007 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.741 8.836 -2.199 1.00 0.00 H new ATOM 666 N LYS A 42 2.978 9.472 2.803 1.00 0.00 N ATOM 667 CA LYS A 42 2.731 10.343 3.970 1.00 0.00 C ATOM 668 C LYS A 42 3.883 11.386 4.164 1.00 0.00 C ATOM 669 O LYS A 42 3.676 12.424 4.796 1.00 0.00 O ATOM 670 CB LYS A 42 2.421 9.534 5.232 1.00 0.00 C ATOM 671 CG LYS A 42 1.782 10.373 6.349 1.00 0.00 C ATOM 672 CD LYS A 42 1.311 9.438 7.472 1.00 0.00 C ATOM 673 CE LYS A 42 0.665 10.173 8.655 1.00 0.00 C ATOM 674 NZ LYS A 42 -0.700 10.663 8.353 1.00 0.00 N ATOM 0 H LYS A 42 3.015 8.476 3.021 1.00 0.00 H new ATOM 0 HA LYS A 42 1.831 10.924 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.751 8.714 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.343 9.087 5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.502 11.094 6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.940 10.943 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.595 8.725 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.162 8.862 7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.623 9.503 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.294 11.017 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.086 11.150 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.662 11.325 7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.312 9.858 8.108 1.00 0.00 H new ATOM 688 N SER A 43 5.066 11.149 3.570 1.00 0.00 N ATOM 689 CA SER A 43 6.142 12.156 3.451 1.00 0.00 C ATOM 690 C SER A 43 5.970 13.112 2.239 1.00 0.00 C ATOM 691 O SER A 43 6.231 14.310 2.367 1.00 0.00 O ATOM 692 CB SER A 43 7.528 11.494 3.348 1.00 0.00 C ATOM 693 OG SER A 43 8.325 11.851 4.467 1.00 0.00 O ATOM 0 H SER A 43 5.306 10.249 3.156 1.00 0.00 H new ATOM 0 HA SER A 43 6.068 12.746 4.364 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.419 10.410 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.021 11.806 2.427 1.00 0.00 H new ATOM 0 HG SER A 43 9.204 11.423 4.393 1.00 0.00 H new ATOM 699 N LYS A 44 5.503 12.621 1.081 1.00 0.00 N ATOM 700 CA LYS A 44 5.261 13.321 -0.193 1.00 0.00 C ATOM 701 C LYS A 44 6.514 13.912 -0.888 1.00 0.00 C ATOM 702 O LYS A 44 7.025 14.968 -0.510 1.00 0.00 O ATOM 703 CB LYS A 44 4.050 14.278 -0.094 1.00 0.00 C ATOM 704 CG LYS A 44 3.014 14.004 -1.203 1.00 0.00 C ATOM 705 CD LYS A 44 1.880 15.045 -1.172 1.00 0.00 C ATOM 706 CE LYS A 44 0.892 14.897 -2.341 1.00 0.00 C ATOM 707 NZ LYS A 44 -0.098 13.817 -2.135 1.00 0.00 N ATOM 0 H LYS A 44 5.263 11.633 1.004 1.00 0.00 H new ATOM 0 HA LYS A 44 4.980 12.544 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.577 14.166 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.395 15.310 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.504 14.025 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.598 13.004 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.337 14.954 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.313 16.045 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.366 15.841 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.450 14.700 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.734 13.768 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.397 12.909 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.653 14.014 -1.278 1.00 0.00 H new ATOM 721 N GLN A 45 7.008 13.215 -1.926 1.00 0.00 N ATOM 722 CA GLN A 45 8.214 13.580 -2.706 1.00 0.00 C ATOM 723 C GLN A 45 8.072 13.362 -4.226 1.00 0.00 C ATOM 724 O GLN A 45 8.254 14.310 -4.992 1.00 0.00 O ATOM 725 CB GLN A 45 9.438 12.796 -2.197 1.00 0.00 C ATOM 726 CG GLN A 45 10.018 13.390 -0.909 1.00 0.00 C ATOM 727 CD GLN A 45 11.220 12.602 -0.431 1.00 0.00 C ATOM 728 OE1 GLN A 45 11.110 11.452 -0.023 1.00 0.00 O ATOM 729 NE2 GLN A 45 12.400 13.186 -0.463 1.00 0.00 N ATOM 0 H GLN A 45 6.570 12.356 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 45 8.347 14.651 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.154 11.759 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.208 12.788 -2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.306 14.427 -1.082 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.253 13.397 -0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.486 14.144 -0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.228 12.681 -0.147 1.00 0.00 H new ATOM 738 N LYS A 46 7.735 12.149 -4.687 1.00 0.00 N ATOM 739 CA LYS A 46 7.495 11.886 -6.117 1.00 0.00 C ATOM 740 C LYS A 46 6.203 12.590 -6.602 1.00 0.00 C ATOM 741 O LYS A 46 5.126 12.385 -6.030 1.00 0.00 O ATOM 742 CB LYS A 46 7.434 10.366 -6.376 1.00 0.00 C ATOM 743 CG LYS A 46 7.600 10.038 -7.874 1.00 0.00 C ATOM 744 CD LYS A 46 6.859 8.757 -8.287 1.00 0.00 C ATOM 745 CE LYS A 46 7.035 8.529 -9.797 1.00 0.00 C ATOM 746 NZ LYS A 46 5.952 7.703 -10.373 1.00 0.00 N ATOM 0 H LYS A 46 7.622 11.330 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 46 8.326 12.298 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.217 9.867 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.481 9.974 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.230 10.874 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.660 9.929 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.248 7.904 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.800 8.841 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.063 9.492 -10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.994 8.044 -9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.116 7.578 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.940 6.773 -9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.038 8.176 -10.225 1.00 0.00 H new ATOM 760 N GLU A 47 6.311 13.409 -7.658 1.00 0.00 N ATOM 761 CA GLU A 47 5.236 14.217 -8.278 1.00 0.00 C ATOM 762 C GLU A 47 5.487 14.390 -9.777 1.00 0.00 C ATOM 763 O GLU A 47 6.591 14.840 -10.153 1.00 0.00 O ATOM 764 CB GLU A 47 5.133 15.600 -7.598 1.00 0.00 C ATOM 765 CG GLU A 47 3.977 15.708 -6.599 1.00 0.00 C ATOM 766 CD GLU A 47 2.669 16.049 -7.303 1.00 0.00 C ATOM 767 OE1 GLU A 47 2.393 17.258 -7.481 1.00 0.00 O ATOM 768 OE2 GLU A 47 1.907 15.119 -7.649 1.00 0.00 O ATOM 769 OXT GLU A 47 4.582 14.044 -10.567 1.00 0.00 O ATOM 0 H GLU A 47 7.203 13.537 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 47 4.294 13.687 -8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.069 15.812 -7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.012 16.365 -8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.869 14.766 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.204 16.474 -5.858 1.00 0.00 H new TER 776 GLU A 47