USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=8 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 180:sc= 0 (180deg=0) 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 -47:sc= 0.334 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.174 X(o=0.17,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 29:sc= -2.04! 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 5.934 -9.471 -6.933 0.01 0.01 N ATOM 2 CA ALA A 1 4.807 -10.433 -6.932 1.00 0.00 C ATOM 3 C ALA A 1 5.108 -11.627 -6.028 1.00 0.00 C ATOM 4 O ALA A 1 6.112 -12.315 -6.214 1.00 0.00 O ATOM 5 CB ALA A 1 4.420 -10.861 -8.360 1.00 0.00 C ATOM 0 H1 ALA A 1 5.705 -8.669 -7.554 0.01 0.01 H new ATOM 0 H2 ALA A 1 6.096 -9.125 -5.966 0.01 0.01 H new ATOM 0 H3 ALA A 1 6.793 -9.943 -7.280 0.01 0.01 H new ATOM 0 HA ALA A 1 3.935 -9.927 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.590 -11.566 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.121 -9.984 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.275 -11.336 -8.842 1.00 0.00 H new ATOM 13 N LEU A 2 4.244 -11.860 -5.037 1.00 0.00 N ATOM 14 CA LEU A 2 4.322 -12.959 -4.061 1.00 0.00 C ATOM 15 C LEU A 2 2.910 -13.423 -3.649 1.00 0.00 C ATOM 16 O LEU A 2 2.302 -12.826 -2.761 1.00 0.00 O ATOM 17 CB LEU A 2 5.146 -12.507 -2.830 1.00 0.00 C ATOM 18 CG LEU A 2 6.612 -12.987 -2.857 1.00 0.00 C ATOM 19 CD1 LEU A 2 7.586 -11.812 -2.811 1.00 0.00 C ATOM 20 CD2 LEU A 2 6.902 -13.895 -1.659 1.00 0.00 C ATOM 0 H LEU A 2 3.432 -11.262 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 2 4.825 -13.810 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.130 -11.419 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.667 -12.881 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 2 6.750 -13.535 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.609 -12.187 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.419 -11.167 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.426 -11.243 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.941 -14.224 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.727 -13.345 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.245 -14.764 -1.694 1.00 0.00 H new ATOM 32 N VAL A 3 2.410 -14.490 -4.292 1.00 0.00 N ATOM 33 CA VAL A 3 1.077 -15.123 -4.090 1.00 0.00 C ATOM 34 C VAL A 3 -0.110 -14.188 -4.422 1.00 0.00 C ATOM 35 O VAL A 3 -0.035 -12.973 -4.246 1.00 0.00 O ATOM 36 CB VAL A 3 0.962 -15.714 -2.657 1.00 0.00 C ATOM 37 CG1 VAL A 3 -0.356 -16.454 -2.391 1.00 0.00 C ATOM 38 CG2 VAL A 3 2.112 -16.684 -2.316 1.00 0.00 C ATOM 0 H VAL A 3 2.950 -14.970 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 3 1.009 -15.939 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 3 1.009 -14.831 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.359 -16.837 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.192 -15.767 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.454 -17.285 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.979 -17.065 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.107 -17.516 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.064 -16.157 -2.383 1.00 0.00 H new ATOM 48 N ASP A 4 -1.240 -14.730 -4.901 1.00 0.00 N ATOM 49 CA ASP A 4 -2.451 -13.929 -5.189 1.00 0.00 C ATOM 50 C ASP A 4 -3.205 -13.493 -3.920 1.00 0.00 C ATOM 51 O ASP A 4 -3.547 -12.322 -3.784 1.00 0.00 O ATOM 52 CB ASP A 4 -3.388 -14.674 -6.166 1.00 0.00 C ATOM 53 CG ASP A 4 -3.479 -13.976 -7.542 1.00 0.00 C ATOM 54 OD1 ASP A 4 -4.185 -12.946 -7.657 1.00 0.00 O ATOM 55 OD2 ASP A 4 -2.846 -14.463 -8.512 1.00 0.00 O ATOM 0 H ASP A 4 -1.345 -15.725 -5.100 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.106 -13.012 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.030 -15.694 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.384 -14.742 -5.729 1.00 0.00 H new ATOM 60 N GLU A 5 -3.401 -14.407 -2.960 1.00 0.00 N ATOM 61 CA GLU A 5 -4.035 -14.145 -1.639 1.00 0.00 C ATOM 62 C GLU A 5 -3.326 -13.069 -0.816 1.00 0.00 C ATOM 63 O GLU A 5 -3.981 -12.159 -0.309 1.00 0.00 O ATOM 64 CB GLU A 5 -4.118 -15.436 -0.802 1.00 0.00 C ATOM 65 CG GLU A 5 -5.522 -16.029 -0.825 1.00 0.00 C ATOM 66 CD GLU A 5 -5.506 -17.428 -0.223 1.00 0.00 C ATOM 67 OE1 GLU A 5 -5.576 -17.546 1.020 1.00 0.00 O ATOM 68 OE2 GLU A 5 -5.431 -18.408 -0.998 1.00 0.00 O ATOM 0 H GLU A 5 -3.118 -15.380 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.034 -13.774 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.407 -16.167 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.829 -15.223 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.205 -15.391 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.892 -16.069 -1.849 1.00 0.00 H new ATOM 75 N VAL A 6 -1.996 -13.141 -0.717 1.00 0.00 N ATOM 76 CA VAL A 6 -1.173 -12.108 -0.052 1.00 0.00 C ATOM 77 C VAL A 6 -1.331 -10.754 -0.746 1.00 0.00 C ATOM 78 O VAL A 6 -1.586 -9.759 -0.067 1.00 0.00 O ATOM 79 CB VAL A 6 0.316 -12.506 -0.010 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.271 -11.361 0.356 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.539 -13.631 1.007 1.00 0.00 C ATOM 0 H VAL A 6 -1.451 -13.916 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.531 -12.024 0.974 1.00 0.00 H new ATOM 0 HB VAL A 6 0.547 -12.820 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.296 -11.730 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.178 -10.561 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.018 -10.978 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.595 -13.901 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.234 -13.292 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.053 -14.501 0.723 1.00 0.00 H new ATOM 91 N LYS A 7 -1.247 -10.716 -2.084 1.00 0.00 N ATOM 92 CA LYS A 7 -1.486 -9.489 -2.847 1.00 0.00 C ATOM 93 C LYS A 7 -2.861 -8.884 -2.516 1.00 0.00 C ATOM 94 O LYS A 7 -2.904 -7.731 -2.109 1.00 0.00 O ATOM 95 CB LYS A 7 -1.280 -9.715 -4.365 1.00 0.00 C ATOM 96 CG LYS A 7 -0.017 -8.999 -4.884 1.00 0.00 C ATOM 97 CD LYS A 7 0.535 -9.581 -6.197 1.00 0.00 C ATOM 98 CE LYS A 7 -0.283 -9.245 -7.455 1.00 0.00 C ATOM 99 NZ LYS A 7 0.053 -7.916 -8.019 1.00 0.00 N ATOM 0 H LYS A 7 -1.014 -11.526 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.741 -8.753 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.201 -10.783 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.153 -9.352 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.245 -7.944 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.759 -9.052 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.553 -9.218 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.593 -10.665 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.109 -10.010 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.345 -9.273 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.527 -7.741 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.138 -7.180 -7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.060 -7.894 -8.279 1.00 0.00 H new ATOM 113 N ASP A 8 -3.965 -9.639 -2.594 1.00 0.00 N ATOM 114 CA ASP A 8 -5.330 -9.159 -2.286 1.00 0.00 C ATOM 115 C ASP A 8 -5.483 -8.572 -0.870 1.00 0.00 C ATOM 116 O ASP A 8 -6.065 -7.501 -0.705 1.00 0.00 O ATOM 117 CB ASP A 8 -6.356 -10.288 -2.524 1.00 0.00 C ATOM 118 CG ASP A 8 -7.088 -10.159 -3.880 1.00 0.00 C ATOM 119 OD1 ASP A 8 -6.597 -10.697 -4.900 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.172 -9.526 -3.917 1.00 0.00 O ATOM 0 H ASP A 8 -3.940 -10.619 -2.877 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.525 -8.332 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.846 -11.250 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.090 -10.281 -1.718 1.00 0.00 H new ATOM 125 N MET A 9 -4.936 -9.234 0.151 1.00 0.00 N ATOM 126 CA MET A 9 -4.962 -8.739 1.542 1.00 0.00 C ATOM 127 C MET A 9 -4.196 -7.416 1.739 1.00 0.00 C ATOM 128 O MET A 9 -4.695 -6.479 2.369 1.00 0.00 O ATOM 129 CB MET A 9 -4.405 -9.824 2.484 1.00 0.00 C ATOM 130 CG MET A 9 -5.519 -10.382 3.372 1.00 0.00 C ATOM 131 SD MET A 9 -5.085 -11.905 4.253 1.00 0.00 S ATOM 132 CE MET A 9 -6.627 -12.143 5.175 1.00 0.00 C ATOM 0 H MET A 9 -4.460 -10.130 0.044 1.00 0.00 H new ATOM 0 HA MET A 9 -6.003 -8.524 1.783 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.960 -10.629 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.613 -9.405 3.104 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.800 -9.622 4.102 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.398 -10.572 2.755 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.551 -13.044 5.784 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.802 -11.282 5.820 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.457 -12.247 4.476 1.00 0.00 H new ATOM 142 N GLU A 10 -3.006 -7.322 1.143 1.00 0.00 N ATOM 143 CA GLU A 10 -2.206 -6.081 1.123 1.00 0.00 C ATOM 144 C GLU A 10 -2.888 -4.971 0.318 1.00 0.00 C ATOM 145 O GLU A 10 -2.944 -3.835 0.770 1.00 0.00 O ATOM 146 CB GLU A 10 -0.784 -6.321 0.609 1.00 0.00 C ATOM 147 CG GLU A 10 0.285 -6.324 1.702 1.00 0.00 C ATOM 148 CD GLU A 10 0.186 -7.513 2.650 1.00 0.00 C ATOM 149 OE1 GLU A 10 -0.669 -7.483 3.564 1.00 0.00 O ATOM 150 OE2 GLU A 10 1.020 -8.437 2.529 1.00 0.00 O ATOM 0 H GLU A 10 -2.563 -8.102 0.658 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.135 -5.748 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.755 -7.277 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.539 -5.550 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.270 -6.324 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.205 -5.403 2.279 1.00 0.00 H new ATOM 157 N ILE A 11 -3.511 -5.289 -0.813 1.00 0.00 N ATOM 158 CA ILE A 11 -4.294 -4.355 -1.637 1.00 0.00 C ATOM 159 C ILE A 11 -5.478 -3.760 -0.844 1.00 0.00 C ATOM 160 O ILE A 11 -5.746 -2.561 -0.924 1.00 0.00 O ATOM 161 CB ILE A 11 -4.789 -5.103 -2.903 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.623 -5.320 -3.891 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.960 -4.381 -3.596 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.863 -6.462 -4.897 1.00 0.00 C ATOM 0 H ILE A 11 -3.488 -6.233 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.661 -3.518 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.165 -6.072 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.448 -4.395 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.715 -5.531 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.267 -4.947 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.799 -4.302 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.644 -3.383 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.000 -6.553 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.007 -7.398 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.752 -6.244 -5.489 1.00 0.00 H new ATOM 176 N ALA A 12 -6.174 -4.567 -0.038 1.00 0.00 N ATOM 177 CA ALA A 12 -7.229 -4.078 0.855 1.00 0.00 C ATOM 178 C ALA A 12 -6.694 -3.049 1.877 1.00 0.00 C ATOM 179 O ALA A 12 -7.349 -2.047 2.176 1.00 0.00 O ATOM 180 CB ALA A 12 -7.891 -5.273 1.549 1.00 0.00 C ATOM 0 H ALA A 12 -6.023 -5.574 0.014 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.975 -3.551 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.677 -4.917 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.323 -5.936 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.144 -5.817 2.127 1.00 0.00 H new ATOM 186 N ARG A 13 -5.461 -3.248 2.351 1.00 0.00 N ATOM 187 CA ARG A 13 -4.713 -2.281 3.153 1.00 0.00 C ATOM 188 C ARG A 13 -4.493 -0.933 2.418 1.00 0.00 C ATOM 189 O ARG A 13 -4.765 0.119 2.996 1.00 0.00 O ATOM 190 CB ARG A 13 -3.389 -2.940 3.603 1.00 0.00 C ATOM 191 CG ARG A 13 -3.274 -2.992 5.129 1.00 0.00 C ATOM 192 CD ARG A 13 -1.909 -3.539 5.573 1.00 0.00 C ATOM 193 NE ARG A 13 -1.909 -4.983 5.858 1.00 0.00 N ATOM 194 CZ ARG A 13 -0.875 -5.662 6.330 1.00 0.00 C ATOM 195 NH1 ARG A 13 0.294 -5.104 6.523 1.00 0.00 N ATOM 196 NH2 ARG A 13 -0.994 -6.921 6.647 1.00 0.00 N ATOM 0 H ARG A 13 -4.943 -4.110 2.182 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.299 -2.018 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.329 -3.950 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.547 -2.382 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.418 -1.993 5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.068 -3.620 5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.175 -3.332 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.586 -3.003 6.465 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.770 -5.499 5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.429 -4.116 6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.069 -5.657 6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.891 -7.393 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.190 -7.434 7.010 1.00 0.00 H new ATOM 210 N LEU A 14 -4.109 -0.934 1.133 1.00 0.00 N ATOM 211 CA LEU A 14 -3.980 0.284 0.305 1.00 0.00 C ATOM 212 C LEU A 14 -5.300 1.061 0.169 1.00 0.00 C ATOM 213 O LEU A 14 -5.310 2.291 0.228 1.00 0.00 O ATOM 214 CB LEU A 14 -3.472 -0.088 -1.101 1.00 0.00 C ATOM 215 CG LEU A 14 -1.974 -0.385 -1.257 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.213 0.888 -1.611 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.290 -1.069 -0.077 1.00 0.00 C ATOM 0 H LEU A 14 -3.875 -1.789 0.629 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.267 0.932 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.026 -0.964 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.725 0.728 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.938 -1.115 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.152 0.660 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.594 1.291 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.348 1.625 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.236 -1.225 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.378 -0.440 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.766 -2.031 0.112 1.00 0.00 H new ATOM 229 N MET A 15 -6.421 0.351 0.025 1.00 0.00 N ATOM 230 CA MET A 15 -7.764 0.944 -0.021 1.00 0.00 C ATOM 231 C MET A 15 -8.104 1.716 1.271 1.00 0.00 C ATOM 232 O MET A 15 -8.728 2.777 1.212 1.00 0.00 O ATOM 233 CB MET A 15 -8.780 -0.183 -0.294 1.00 0.00 C ATOM 234 CG MET A 15 -9.985 0.244 -1.141 1.00 0.00 C ATOM 235 SD MET A 15 -11.530 0.556 -0.243 1.00 0.00 S ATOM 236 CE MET A 15 -12.684 0.536 -1.647 1.00 0.00 C ATOM 0 H MET A 15 -6.424 -0.665 -0.064 1.00 0.00 H new ATOM 0 HA MET A 15 -7.805 1.680 -0.824 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.269 -1.003 -0.799 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.140 -0.570 0.659 1.00 0.00 H new ATOM 0 HG2 MET A 15 -9.717 1.150 -1.685 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.172 -0.531 -1.884 1.00 0.00 H new ATOM 0 HE1 MET A 15 -13.698 0.713 -1.287 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.409 1.317 -2.355 1.00 0.00 H new ATOM 0 HE3 MET A 15 -12.639 -0.434 -2.142 1.00 0.00 H new ATOM 246 N SER A 16 -7.616 1.247 2.428 1.00 0.00 N ATOM 247 CA SER A 16 -7.738 1.961 3.706 1.00 0.00 C ATOM 248 C SER A 16 -7.024 3.332 3.701 1.00 0.00 C ATOM 249 O SER A 16 -7.603 4.324 4.153 1.00 0.00 O ATOM 250 CB SER A 16 -7.222 1.085 4.860 1.00 0.00 C ATOM 251 OG SER A 16 -7.795 1.475 6.100 1.00 0.00 O ATOM 0 H SER A 16 -7.123 0.357 2.504 1.00 0.00 H new ATOM 0 HA SER A 16 -8.799 2.164 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.459 0.040 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.136 1.160 4.919 1.00 0.00 H new ATOM 0 HG SER A 16 -7.450 0.900 6.815 1.00 0.00 H new ATOM 257 N LEU A 17 -5.807 3.442 3.142 1.00 0.00 N ATOM 258 CA LEU A 17 -5.079 4.715 2.991 1.00 0.00 C ATOM 259 C LEU A 17 -5.652 5.693 1.924 1.00 0.00 C ATOM 260 O LEU A 17 -5.156 6.817 1.812 1.00 0.00 O ATOM 261 CB LEU A 17 -3.585 4.432 2.684 1.00 0.00 C ATOM 262 CG LEU A 17 -2.726 3.915 3.856 1.00 0.00 C ATOM 263 CD1 LEU A 17 -2.943 2.454 4.206 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.241 4.230 3.640 1.00 0.00 C ATOM 0 H LEU A 17 -5.294 2.639 2.777 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.203 5.226 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.535 3.701 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.134 5.351 2.310 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.076 4.465 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.297 2.180 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.985 2.298 4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.703 1.833 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.663 3.853 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.898 3.753 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.106 5.309 3.561 1.00 0.00 H new ATOM 276 N GLY A 18 -6.677 5.317 1.147 1.00 0.00 N ATOM 277 CA GLY A 18 -7.276 6.185 0.116 1.00 0.00 C ATOM 278 C GLY A 18 -6.476 6.225 -1.198 1.00 0.00 C ATOM 279 O GLY A 18 -5.684 7.141 -1.422 1.00 0.00 O ATOM 0 H GLY A 18 -7.118 4.400 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.288 5.839 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.361 7.198 0.510 1.00 0.00 H new ATOM 283 N LEU A 19 -6.702 5.225 -2.056 1.00 0.00 N ATOM 284 CA LEU A 19 -6.038 5.023 -3.352 1.00 0.00 C ATOM 285 C LEU A 19 -6.979 4.405 -4.426 1.00 0.00 C ATOM 286 O LEU A 19 -8.105 4.007 -4.117 1.00 0.00 O ATOM 287 CB LEU A 19 -4.806 4.133 -3.109 1.00 0.00 C ATOM 288 CG LEU A 19 -3.663 4.832 -2.353 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.617 3.814 -1.946 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.955 5.890 -3.202 1.00 0.00 C ATOM 0 H LEU A 19 -7.388 4.496 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.742 5.991 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.114 3.252 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.430 3.782 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.119 5.315 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.810 4.315 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.071 3.065 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.216 3.329 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.158 6.351 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.530 5.420 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.672 6.654 -3.504 1.00 0.00 H new ATOM 302 N SER A 20 -6.524 4.358 -5.688 1.00 0.00 N ATOM 303 CA SER A 20 -7.232 3.776 -6.851 1.00 0.00 C ATOM 304 C SER A 20 -7.499 2.253 -6.725 1.00 0.00 C ATOM 305 O SER A 20 -7.248 1.661 -5.674 1.00 0.00 O ATOM 306 CB SER A 20 -6.391 4.060 -8.110 1.00 0.00 C ATOM 307 OG SER A 20 -6.240 5.453 -8.344 1.00 0.00 O ATOM 0 H SER A 20 -5.613 4.740 -5.942 1.00 0.00 H new ATOM 0 HA SER A 20 -8.215 4.243 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.408 3.602 -8.001 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.865 3.596 -8.975 1.00 0.00 H new ATOM 0 HG SER A 20 -5.700 5.593 -9.150 1.00 0.00 H new ATOM 313 N ILE A 21 -7.973 1.578 -7.785 1.00 0.00 N ATOM 314 CA ILE A 21 -8.102 0.104 -7.785 1.00 0.00 C ATOM 315 C ILE A 21 -6.867 -0.575 -8.408 1.00 0.00 C ATOM 316 O ILE A 21 -5.923 -0.874 -7.684 1.00 0.00 O ATOM 317 CB ILE A 21 -9.440 -0.316 -8.446 1.00 0.00 C ATOM 318 CG1 ILE A 21 -10.644 0.419 -7.796 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.658 -1.837 -8.344 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.399 1.307 -8.794 1.00 0.00 C ATOM 0 H ILE A 21 -8.273 2.024 -8.652 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.134 -0.249 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.378 -0.035 -9.497 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.331 -0.316 -7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.288 1.031 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.604 -2.101 -8.816 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.843 -2.356 -8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.681 -2.132 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.231 1.797 -8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.722 2.062 -9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.782 0.694 -9.610 1.00 0.00 H new ATOM 332 N GLU A 22 -6.810 -0.751 -9.738 1.00 0.00 N ATOM 333 CA GLU A 22 -5.739 -1.543 -10.402 1.00 0.00 C ATOM 334 C GLU A 22 -4.402 -0.811 -10.427 1.00 0.00 C ATOM 335 O GLU A 22 -3.358 -1.424 -10.218 1.00 0.00 O ATOM 336 CB GLU A 22 -6.138 -1.951 -11.832 1.00 0.00 C ATOM 337 CG GLU A 22 -6.564 -3.419 -11.902 1.00 0.00 C ATOM 338 CD GLU A 22 -7.556 -3.634 -13.038 1.00 0.00 C ATOM 339 OE1 GLU A 22 -7.119 -3.738 -14.208 1.00 0.00 O ATOM 340 OE2 GLU A 22 -8.774 -3.715 -12.756 1.00 0.00 O ATOM 0 H GLU A 22 -7.493 -0.357 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.616 -2.444 -9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.955 -1.318 -12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.298 -1.783 -12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.689 -4.051 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.015 -3.718 -10.956 1.00 0.00 H new ATOM 347 N GLU A 23 -4.425 0.516 -10.586 1.00 0.00 N ATOM 348 CA GLU A 23 -3.217 1.348 -10.429 1.00 0.00 C ATOM 349 C GLU A 23 -2.691 1.307 -9.001 1.00 0.00 C ATOM 350 O GLU A 23 -1.503 1.074 -8.813 1.00 0.00 O ATOM 351 CB GLU A 23 -3.452 2.798 -10.865 1.00 0.00 C ATOM 352 CG GLU A 23 -2.166 3.616 -11.021 1.00 0.00 C ATOM 353 CD GLU A 23 -1.456 3.349 -12.349 1.00 0.00 C ATOM 354 OE1 GLU A 23 -0.935 2.232 -12.556 1.00 0.00 O ATOM 355 OE2 GLU A 23 -1.393 4.285 -13.180 1.00 0.00 O ATOM 0 H GLU A 23 -5.266 1.042 -10.824 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.462 0.920 -11.088 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.989 2.799 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.096 3.287 -10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.404 4.677 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.490 3.383 -10.199 1.00 0.00 H new ATOM 362 N ALA A 24 -3.552 1.421 -7.984 1.00 0.00 N ATOM 363 CA ALA A 24 -3.120 1.251 -6.597 1.00 0.00 C ATOM 364 C ALA A 24 -2.507 -0.121 -6.290 1.00 0.00 C ATOM 365 O ALA A 24 -1.578 -0.167 -5.489 1.00 0.00 O ATOM 366 CB ALA A 24 -4.273 1.473 -5.633 1.00 0.00 C ATOM 0 H ALA A 24 -4.544 1.629 -8.096 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.342 2.002 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.922 1.340 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.660 2.485 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.065 0.754 -5.841 1.00 0.00 H new ATOM 372 N THR A 25 -2.952 -1.235 -6.888 1.00 0.00 N ATOM 373 CA THR A 25 -2.369 -2.556 -6.590 1.00 0.00 C ATOM 374 C THR A 25 -0.970 -2.724 -7.206 1.00 0.00 C ATOM 375 O THR A 25 -0.062 -3.309 -6.601 1.00 0.00 O ATOM 376 CB THR A 25 -3.255 -3.720 -7.098 1.00 0.00 C ATOM 377 OG1 THR A 25 -3.173 -3.933 -8.488 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.746 -3.563 -6.788 1.00 0.00 C ATOM 0 H THR A 25 -3.706 -1.251 -7.575 1.00 0.00 H new ATOM 0 HA THR A 25 -2.301 -2.597 -5.503 1.00 0.00 H new ATOM 0 HB THR A 25 -2.842 -4.566 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.259 -3.076 -8.956 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.291 -4.422 -7.179 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.889 -3.503 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.121 -2.652 -7.255 1.00 0.00 H new ATOM 386 N GLU A 26 -0.755 -2.149 -8.395 1.00 0.00 N ATOM 387 CA GLU A 26 0.543 -2.184 -9.084 1.00 0.00 C ATOM 388 C GLU A 26 1.528 -1.214 -8.445 1.00 0.00 C ATOM 389 O GLU A 26 2.709 -1.531 -8.362 1.00 0.00 O ATOM 390 CB GLU A 26 0.391 -1.840 -10.578 1.00 0.00 C ATOM 391 CG GLU A 26 1.027 -2.887 -11.493 1.00 0.00 C ATOM 392 CD GLU A 26 0.001 -3.926 -11.934 1.00 0.00 C ATOM 393 OE1 GLU A 26 -0.165 -4.947 -11.228 1.00 0.00 O ATOM 394 OE2 GLU A 26 -0.604 -3.735 -13.014 1.00 0.00 O ATOM 0 H GLU A 26 -1.477 -1.645 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 26 0.928 -3.200 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.668 -1.748 -10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.848 -0.869 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.454 -2.398 -12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.848 -3.380 -10.972 1.00 0.00 H new ATOM 401 N PHE A 27 1.031 -0.071 -7.964 1.00 0.00 N ATOM 402 CA PHE A 27 1.788 0.950 -7.236 1.00 0.00 C ATOM 403 C PHE A 27 2.220 0.474 -5.844 1.00 0.00 C ATOM 404 O PHE A 27 3.346 0.740 -5.434 1.00 0.00 O ATOM 405 CB PHE A 27 0.934 2.216 -7.085 1.00 0.00 C ATOM 406 CG PHE A 27 1.703 3.448 -6.647 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.357 4.211 -7.635 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.757 3.859 -5.295 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.041 5.387 -7.287 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.405 5.062 -4.960 1.00 0.00 C ATOM 411 CZ PHE A 27 3.048 5.825 -5.951 1.00 0.00 C ATOM 0 H PHE A 27 0.048 0.178 -8.076 1.00 0.00 H new ATOM 0 HA PHE A 27 2.688 1.157 -7.815 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.448 2.427 -8.038 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.143 2.021 -6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.332 3.889 -8.666 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.304 3.253 -4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.561 5.954 -8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.409 5.402 -3.935 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.546 6.746 -5.686 1.00 0.00 H new ATOM 421 N TYR A 28 1.354 -0.257 -5.129 1.00 0.00 N ATOM 422 CA TYR A 28 1.705 -0.893 -3.861 1.00 0.00 C ATOM 423 C TYR A 28 2.948 -1.769 -4.017 1.00 0.00 C ATOM 424 O TYR A 28 3.950 -1.504 -3.352 1.00 0.00 O ATOM 425 CB TYR A 28 0.497 -1.642 -3.276 1.00 0.00 C ATOM 426 CG TYR A 28 0.650 -3.091 -2.881 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.448 -3.427 -1.775 1.00 0.00 C ATOM 428 CD2 TYR A 28 -0.057 -4.093 -3.568 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.621 -4.777 -1.435 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.127 -5.442 -3.226 1.00 0.00 C ATOM 431 CZ TYR A 28 1.002 -5.793 -2.184 1.00 0.00 C ATOM 432 OH TYR A 28 1.193 -7.103 -1.877 1.00 0.00 O ATOM 0 H TYR A 28 0.390 -0.422 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 28 1.967 -0.123 -3.135 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.167 -1.094 -2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.310 -1.584 -4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.924 -2.653 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.742 -3.825 -4.359 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.237 -5.039 -0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.405 -6.212 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 28 1.354 -7.193 -0.915 1.00 0.00 H new ATOM 442 N GLU A 29 2.926 -2.736 -4.948 1.00 0.00 N ATOM 443 CA GLU A 29 4.103 -3.582 -5.230 1.00 0.00 C ATOM 444 C GLU A 29 5.321 -2.814 -5.769 1.00 0.00 C ATOM 445 O GLU A 29 6.422 -2.959 -5.239 1.00 0.00 O ATOM 446 CB GLU A 29 3.723 -4.714 -6.190 1.00 0.00 C ATOM 447 CG GLU A 29 3.007 -5.865 -5.474 1.00 0.00 C ATOM 448 CD GLU A 29 3.636 -7.176 -5.899 1.00 0.00 C ATOM 449 OE1 GLU A 29 3.386 -7.606 -7.044 1.00 0.00 O ATOM 450 OE2 GLU A 29 4.415 -7.758 -5.111 1.00 0.00 O ATOM 0 H GLU A 29 2.109 -2.953 -5.519 1.00 0.00 H new ATOM 0 HA GLU A 29 4.412 -3.990 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.078 -4.320 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.622 -5.094 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.084 -5.743 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.945 -5.859 -5.720 1.00 0.00 H new ATOM 457 N ASN A 30 5.140 -1.976 -6.795 1.00 0.00 N ATOM 458 CA ASN A 30 6.220 -1.157 -7.390 1.00 0.00 C ATOM 459 C ASN A 30 6.880 -0.128 -6.442 1.00 0.00 C ATOM 460 O ASN A 30 7.969 0.372 -6.744 1.00 0.00 O ATOM 461 CB ASN A 30 5.743 -0.437 -8.662 1.00 0.00 C ATOM 462 CG ASN A 30 6.013 -1.268 -9.901 1.00 0.00 C ATOM 463 OD1 ASN A 30 7.079 -1.184 -10.501 1.00 0.00 O ATOM 464 ND2 ASN A 30 5.083 -2.103 -10.310 1.00 0.00 N ATOM 0 H ASN A 30 4.235 -1.840 -7.245 1.00 0.00 H new ATOM 0 HA ASN A 30 6.993 -1.888 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.676 -0.230 -8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.249 0.525 -8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.246 -2.686 -11.131 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.198 -2.168 -9.806 1.00 0.00 H new ATOM 471 N ASP A 31 6.244 0.166 -5.306 1.00 0.00 N ATOM 472 CA ASP A 31 6.874 0.936 -4.231 1.00 0.00 C ATOM 473 C ASP A 31 7.573 -0.067 -3.313 1.00 0.00 C ATOM 474 O ASP A 31 8.803 -0.068 -3.215 1.00 0.00 O ATOM 475 CB ASP A 31 5.832 1.793 -3.479 1.00 0.00 C ATOM 476 CG ASP A 31 5.498 3.147 -4.156 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.663 3.300 -5.399 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.126 4.082 -3.421 1.00 0.00 O ATOM 0 H ASP A 31 5.286 -0.120 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 31 7.603 1.642 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.913 1.216 -3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.200 1.987 -2.471 1.00 0.00 H new ATOM 483 N VAL A 32 6.769 -0.930 -2.705 1.00 0.00 N ATOM 484 CA VAL A 32 7.187 -1.881 -1.643 1.00 0.00 C ATOM 485 C VAL A 32 6.093 -2.897 -1.219 1.00 0.00 C ATOM 486 O VAL A 32 5.557 -3.629 -2.048 1.00 0.00 O ATOM 487 CB VAL A 32 7.742 -1.053 -0.459 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.610 -0.224 0.183 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.602 -1.888 0.503 1.00 0.00 C ATOM 0 H VAL A 32 5.777 -1.002 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 32 7.967 -2.528 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 32 8.460 -0.323 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.010 0.355 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.188 0.452 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.831 -0.893 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.963 -1.253 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.002 -2.698 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.452 -2.305 -0.037 1.00 0.00 H new ATOM 499 N THR A 33 5.793 -2.990 0.081 1.00 0.00 N ATOM 500 CA THR A 33 4.962 -4.006 0.722 1.00 0.00 C ATOM 501 C THR A 33 3.754 -3.498 1.505 1.00 0.00 C ATOM 502 O THR A 33 2.786 -4.243 1.621 1.00 0.00 O ATOM 503 CB THR A 33 5.801 -4.675 1.820 1.00 0.00 C ATOM 504 OG1 THR A 33 6.458 -3.706 2.617 1.00 0.00 O ATOM 505 CG2 THR A 33 6.865 -5.611 1.255 1.00 0.00 C ATOM 0 H THR A 33 6.149 -2.312 0.754 1.00 0.00 H new ATOM 0 HA THR A 33 4.622 -4.628 -0.106 1.00 0.00 H new ATOM 0 HB THR A 33 5.098 -5.254 2.418 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.985 -4.155 3.310 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.429 -6.057 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.385 -6.398 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.542 -5.047 0.613 1.00 0.00 H new ATOM 513 N TYR A 34 3.779 -2.298 2.099 1.00 0.00 N ATOM 514 CA TYR A 34 2.746 -1.629 2.910 1.00 0.00 C ATOM 515 C TYR A 34 3.394 -0.470 3.710 1.00 0.00 C ATOM 516 O TYR A 34 3.377 0.678 3.276 1.00 0.00 O ATOM 517 CB TYR A 34 1.897 -2.524 3.814 1.00 0.00 C ATOM 518 CG TYR A 34 0.950 -1.708 4.673 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.202 -1.125 4.108 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.252 -1.482 6.028 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.084 -0.384 4.916 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.367 -0.740 6.834 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.812 -0.210 6.284 1.00 0.00 C ATOM 524 OH TYR A 34 -1.694 0.450 7.083 1.00 0.00 O ATOM 0 H TYR A 34 4.607 -1.709 2.017 1.00 0.00 H new ATOM 0 HA TYR A 34 2.018 -1.253 2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.325 -3.222 3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.548 -3.119 4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.408 -1.247 3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.164 -1.878 6.451 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.972 0.052 4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.595 -0.578 7.877 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.348 0.477 7.999 1.00 0.00 H new ATOM 534 N GLU A 35 4.051 -0.776 4.836 1.00 0.00 N ATOM 535 CA GLU A 35 4.519 0.252 5.800 1.00 0.00 C ATOM 536 C GLU A 35 5.570 1.203 5.230 1.00 0.00 C ATOM 537 O GLU A 35 5.556 2.392 5.535 1.00 0.00 O ATOM 538 CB GLU A 35 5.032 -0.360 7.114 1.00 0.00 C ATOM 539 CG GLU A 35 4.196 0.132 8.295 1.00 0.00 C ATOM 540 CD GLU A 35 4.786 -0.367 9.607 1.00 0.00 C ATOM 541 OE1 GLU A 35 4.673 -1.581 9.891 1.00 0.00 O ATOM 542 OE2 GLU A 35 5.347 0.460 10.361 1.00 0.00 O ATOM 0 H GLU A 35 4.276 -1.732 5.111 1.00 0.00 H new ATOM 0 HA GLU A 35 3.627 0.842 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.988 -1.448 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.078 -0.091 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.161 1.221 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.169 -0.220 8.194 1.00 0.00 H new ATOM 549 N ARG A 36 6.436 0.703 4.347 1.00 0.00 N ATOM 550 CA ARG A 36 7.403 1.537 3.622 1.00 0.00 C ATOM 551 C ARG A 36 6.727 2.565 2.688 1.00 0.00 C ATOM 552 O ARG A 36 7.113 3.731 2.713 1.00 0.00 O ATOM 553 CB ARG A 36 8.373 0.656 2.811 1.00 0.00 C ATOM 554 CG ARG A 36 9.812 0.527 3.341 1.00 0.00 C ATOM 555 CD ARG A 36 10.857 0.718 2.221 1.00 0.00 C ATOM 556 NE ARG A 36 11.861 -0.363 2.200 1.00 0.00 N ATOM 557 CZ ARG A 36 13.133 -0.292 2.556 1.00 0.00 C ATOM 558 NH1 ARG A 36 13.661 0.789 3.061 1.00 0.00 N ATOM 559 NH2 ARG A 36 13.910 -1.329 2.402 1.00 0.00 N ATOM 0 H ARG A 36 6.489 -0.288 4.113 1.00 0.00 H new ATOM 0 HA ARG A 36 7.955 2.098 4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.946 -0.345 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.420 1.051 1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.979 1.268 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.944 -0.454 3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.350 0.758 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.360 1.675 2.356 1.00 0.00 H new ATOM 0 HE ARG A 36 11.536 -1.273 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.088 1.622 3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.647 0.801 3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.536 -2.192 2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.891 -1.276 2.676 1.00 0.00 H new ATOM 573 N TYR A 37 5.724 2.188 1.872 1.00 0.00 N ATOM 574 CA TYR A 37 5.095 3.146 0.952 1.00 0.00 C ATOM 575 C TYR A 37 4.260 4.136 1.756 1.00 0.00 C ATOM 576 O TYR A 37 4.288 5.320 1.458 1.00 0.00 O ATOM 577 CB TYR A 37 4.252 2.496 -0.164 1.00 0.00 C ATOM 578 CG TYR A 37 2.775 2.328 0.133 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.910 3.437 0.046 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.288 1.100 0.607 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.593 3.350 0.521 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.979 1.027 1.113 1.00 0.00 C ATOM 583 CZ TYR A 37 0.144 2.146 1.077 1.00 0.00 C ATOM 584 OH TYR A 37 -1.121 2.035 1.546 1.00 0.00 O ATOM 0 H TYR A 37 5.340 1.244 1.833 1.00 0.00 H new ATOM 0 HA TYR A 37 5.903 3.660 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.355 3.098 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.672 1.515 -0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.263 4.360 -0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.913 0.220 0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.067 4.202 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.617 0.100 1.532 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.709 2.641 1.049 1.00 0.00 H new ATOM 594 N LEU A 38 3.577 3.673 2.807 1.00 0.00 N ATOM 595 CA LEU A 38 2.863 4.524 3.751 1.00 0.00 C ATOM 596 C LEU A 38 3.775 5.639 4.288 1.00 0.00 C ATOM 597 O LEU A 38 3.355 6.789 4.322 1.00 0.00 O ATOM 598 CB LEU A 38 2.281 3.616 4.853 1.00 0.00 C ATOM 599 CG LEU A 38 1.623 4.340 6.045 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.625 3.415 6.740 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.629 4.759 7.125 1.00 0.00 C ATOM 0 H LEU A 38 3.506 2.679 3.025 1.00 0.00 H new ATOM 0 HA LEU A 38 2.039 5.046 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.541 2.957 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.081 2.982 5.235 1.00 0.00 H new ATOM 0 HG LEU A 38 1.149 5.225 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.168 3.938 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.149 3.118 6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.144 2.528 7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.103 5.263 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.134 3.875 7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.365 5.437 6.693 1.00 0.00 H new ATOM 613 N GLU A 39 5.017 5.312 4.663 1.00 0.00 N ATOM 614 CA GLU A 39 6.001 6.299 5.163 1.00 0.00 C ATOM 615 C GLU A 39 6.425 7.320 4.099 1.00 0.00 C ATOM 616 O GLU A 39 6.441 8.520 4.364 1.00 0.00 O ATOM 617 CB GLU A 39 7.254 5.635 5.764 1.00 0.00 C ATOM 618 CG GLU A 39 7.557 6.232 7.138 1.00 0.00 C ATOM 619 CD GLU A 39 8.986 5.918 7.562 1.00 0.00 C ATOM 620 OE1 GLU A 39 9.283 4.740 7.857 1.00 0.00 O ATOM 621 OE2 GLU A 39 9.807 6.863 7.615 1.00 0.00 O ATOM 0 H GLU A 39 5.375 4.358 4.631 1.00 0.00 H new ATOM 0 HA GLU A 39 5.476 6.833 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.098 4.560 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.106 5.780 5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.410 7.312 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.859 5.834 7.874 1.00 0.00 H new ATOM 628 N ILE A 40 6.724 6.855 2.884 1.00 0.00 N ATOM 629 CA ILE A 40 7.161 7.691 1.745 1.00 0.00 C ATOM 630 C ILE A 40 6.025 8.634 1.280 1.00 0.00 C ATOM 631 O ILE A 40 6.222 9.843 1.138 1.00 0.00 O ATOM 632 CB ILE A 40 7.662 6.759 0.606 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.870 5.897 1.066 1.00 0.00 C ATOM 634 CG2 ILE A 40 8.062 7.501 -0.687 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.177 4.720 0.127 1.00 0.00 C ATOM 0 H ILE A 40 6.670 5.863 2.651 1.00 0.00 H new ATOM 0 HA ILE A 40 7.984 8.337 2.051 1.00 0.00 H new ATOM 0 HB ILE A 40 6.804 6.128 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.753 6.533 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.671 5.511 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.400 6.779 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.201 8.046 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.868 8.202 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.032 4.162 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.310 4.062 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.408 5.099 -0.868 1.00 0.00 H new ATOM 647 N LEU A 41 4.814 8.105 1.092 1.00 0.00 N ATOM 648 CA LEU A 41 3.603 8.825 0.690 1.00 0.00 C ATOM 649 C LEU A 41 3.082 9.763 1.803 1.00 0.00 C ATOM 650 O LEU A 41 2.641 10.863 1.496 1.00 0.00 O ATOM 651 CB LEU A 41 2.529 7.807 0.240 1.00 0.00 C ATOM 652 CG LEU A 41 2.658 7.250 -1.201 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.051 8.231 -2.206 1.00 0.00 C ATOM 654 CD2 LEU A 41 4.080 6.927 -1.663 1.00 0.00 C ATOM 0 H LEU A 41 4.642 7.108 1.223 1.00 0.00 H new ATOM 0 HA LEU A 41 3.848 9.474 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.546 6.966 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.551 8.279 0.336 1.00 0.00 H new ATOM 0 HG LEU A 41 2.119 6.303 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.149 7.827 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.996 8.381 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.575 9.185 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.053 6.545 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.688 7.831 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.514 6.174 -1.005 1.00 0.00 H new ATOM 666 N LYS A 42 3.171 9.399 3.089 1.00 0.00 N ATOM 667 CA LYS A 42 2.899 10.335 4.202 1.00 0.00 C ATOM 668 C LYS A 42 3.881 11.524 4.232 1.00 0.00 C ATOM 669 O LYS A 42 3.494 12.644 4.577 1.00 0.00 O ATOM 670 CB LYS A 42 2.959 9.640 5.572 1.00 0.00 C ATOM 671 CG LYS A 42 1.619 9.017 5.995 1.00 0.00 C ATOM 672 CD LYS A 42 1.657 8.631 7.486 1.00 0.00 C ATOM 673 CE LYS A 42 0.244 8.516 8.078 1.00 0.00 C ATOM 674 NZ LYS A 42 -0.217 7.119 8.222 1.00 0.00 N ATOM 0 H LYS A 42 3.430 8.460 3.391 1.00 0.00 H new ATOM 0 HA LYS A 42 1.890 10.703 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.721 8.861 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.270 10.363 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.809 9.724 5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.413 8.135 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.179 7.681 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.225 9.378 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.226 9.000 9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.455 9.058 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.175 7.110 8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.230 6.660 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.430 6.603 8.853 1.00 0.00 H new ATOM 688 N SER A 43 5.136 11.278 3.854 1.00 0.00 N ATOM 689 CA SER A 43 6.118 12.347 3.641 1.00 0.00 C ATOM 690 C SER A 43 5.617 13.317 2.545 1.00 0.00 C ATOM 691 O SER A 43 5.539 14.529 2.768 1.00 0.00 O ATOM 692 CB SER A 43 7.504 11.767 3.317 1.00 0.00 C ATOM 693 OG SER A 43 8.525 12.627 3.793 1.00 0.00 O ATOM 0 H SER A 43 5.501 10.340 3.687 1.00 0.00 H new ATOM 0 HA SER A 43 6.227 12.918 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.608 10.782 3.772 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.606 11.633 2.240 1.00 0.00 H new ATOM 0 HG SER A 43 9.401 12.243 3.581 1.00 0.00 H new ATOM 699 N LYS A 44 5.192 12.750 1.400 1.00 0.00 N ATOM 700 CA LYS A 44 4.756 13.505 0.207 1.00 0.00 C ATOM 701 C LYS A 44 5.906 14.369 -0.370 1.00 0.00 C ATOM 702 O LYS A 44 7.030 14.349 0.140 1.00 0.00 O ATOM 703 CB LYS A 44 3.445 14.312 0.464 1.00 0.00 C ATOM 704 CG LYS A 44 2.197 13.683 -0.177 1.00 0.00 C ATOM 705 CD LYS A 44 0.989 14.632 -0.176 1.00 0.00 C ATOM 706 CE LYS A 44 -0.249 13.891 -0.703 1.00 0.00 C ATOM 707 NZ LYS A 44 -1.460 14.738 -0.680 1.00 0.00 N ATOM 0 H LYS A 44 5.141 11.739 1.275 1.00 0.00 H new ATOM 0 HA LYS A 44 4.502 12.779 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.286 14.398 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.570 15.324 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.426 13.394 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.938 12.771 0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.803 14.999 0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.197 15.502 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.062 13.555 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.420 12.999 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.270 14.196 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.655 15.038 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.308 15.577 -1.276 1.00 0.00 H new ATOM 721 N GLN A 45 5.659 15.113 -1.459 1.00 0.00 N ATOM 722 CA GLN A 45 6.635 16.049 -2.065 1.00 0.00 C ATOM 723 C GLN A 45 7.992 15.409 -2.467 1.00 0.00 C ATOM 724 O GLN A 45 9.002 16.100 -2.618 1.00 0.00 O ATOM 725 CB GLN A 45 6.804 17.268 -1.123 1.00 0.00 C ATOM 726 CG GLN A 45 6.206 18.545 -1.718 1.00 0.00 C ATOM 727 CD GLN A 45 6.439 19.730 -0.801 1.00 0.00 C ATOM 728 OE1 GLN A 45 6.023 19.746 0.351 1.00 0.00 O ATOM 729 NE2 GLN A 45 7.111 20.757 -1.276 1.00 0.00 N ATOM 0 H GLN A 45 4.767 15.086 -1.954 1.00 0.00 H new ATOM 0 HA GLN A 45 6.226 16.374 -3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.325 17.056 -0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.864 17.425 -0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.653 18.741 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.137 18.410 -1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.456 20.741 -2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.287 21.569 -0.684 1.00 0.00 H new ATOM 738 N LYS A 46 8.014 14.084 -2.655 1.00 0.00 N ATOM 739 CA LYS A 46 9.177 13.193 -2.820 1.00 0.00 C ATOM 740 C LYS A 46 10.061 13.051 -1.554 1.00 0.00 C ATOM 741 O LYS A 46 10.312 11.928 -1.104 1.00 0.00 O ATOM 742 CB LYS A 46 10.028 13.583 -4.053 1.00 0.00 C ATOM 743 CG LYS A 46 10.395 12.371 -4.929 1.00 0.00 C ATOM 744 CD LYS A 46 9.565 12.360 -6.224 1.00 0.00 C ATOM 745 CE LYS A 46 9.475 10.955 -6.829 1.00 0.00 C ATOM 746 NZ LYS A 46 8.770 10.965 -8.130 1.00 0.00 N ATOM 0 H LYS A 46 7.142 13.557 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 46 8.749 12.205 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.479 14.308 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.942 14.074 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.457 12.401 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.222 11.449 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.562 12.731 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.013 13.040 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.478 10.551 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.954 10.293 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.728 9.998 -8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.804 11.328 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.282 11.577 -8.797 1.00 0.00 H new ATOM 760 N GLU A 47 10.524 14.171 -0.981 1.00 0.00 N ATOM 761 CA GLU A 47 11.423 14.276 0.189 1.00 0.00 C ATOM 762 C GLU A 47 11.400 15.702 0.751 1.00 0.00 C ATOM 763 O GLU A 47 11.722 16.648 -0.001 1.00 0.00 O ATOM 764 CB GLU A 47 12.864 13.858 -0.197 1.00 0.00 C ATOM 765 CG GLU A 47 13.434 12.723 0.663 1.00 0.00 C ATOM 766 CD GLU A 47 14.292 13.251 1.806 1.00 0.00 C ATOM 767 OE1 GLU A 47 13.734 13.686 2.835 1.00 0.00 O ATOM 768 OE2 GLU A 47 15.539 13.196 1.678 1.00 0.00 O ATOM 769 OXT GLU A 47 11.014 15.869 1.927 1.00 0.00 O ATOM 0 H GLU A 47 10.267 15.090 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 47 11.069 13.597 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.874 13.549 -1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.518 14.726 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.615 12.129 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.031 12.059 0.038 1.00 0.00 H new TER 776 GLU A 47