USER MOD reduce.3.24.130724 H: found=0, std=0, add=240, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 237 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 GLU N :NH3+ -119:sc= 0.0398 (180deg=-0.335) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= -0.0255 (180deg=-0.23) USER MOD Single : A 18 HIS : no HD1:sc= -0.0604 X(o=-0.06,f=-0.0022) USER MOD Single : A 20 SER OG : rot 100:sc= -1.59 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.0157 (180deg=-0.156) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.020 -0.839 -0.326 1.00 33.40 N ATOM 2 CA GLU A 1 1.974 -0.351 -1.314 1.00 4.41 C ATOM 3 C GLU A 1 3.350 -0.975 -1.096 1.00 52.45 C ATOM 4 O GLU A 1 3.696 -1.369 0.017 1.00 21.43 O ATOM 5 CB GLU A 1 2.077 1.174 -1.245 1.00 45.51 C ATOM 6 CG GLU A 1 0.812 1.891 -1.686 1.00 32.44 C ATOM 7 CD GLU A 1 0.643 1.903 -3.193 1.00 2.35 C ATOM 8 OE1 GLU A 1 1.669 1.916 -3.905 1.00 34.42 O ATOM 9 OE2 GLU A 1 -0.515 1.901 -3.659 1.00 73.42 O ATOM 0 H1 GLU A 1 0.243 -1.333 -0.809 1.00 33.40 H new ATOM 0 H2 GLU A 1 1.498 -1.496 0.323 1.00 33.40 H new ATOM 0 H3 GLU A 1 0.638 -0.036 0.214 1.00 33.40 H new ATOM 0 HA GLU A 1 1.615 -0.640 -2.302 1.00 4.41 H new ATOM 0 HB2 GLU A 1 2.313 1.468 -0.222 1.00 45.51 H new ATOM 0 HB3 GLU A 1 2.907 1.502 -1.870 1.00 45.51 H new ATOM 0 HG2 GLU A 1 -0.052 1.407 -1.231 1.00 32.44 H new ATOM 0 HG3 GLU A 1 0.833 2.917 -1.318 1.00 32.44 H new ATOM 16 N CYS A 2 4.130 -1.061 -2.169 1.00 10.13 N ATOM 17 CA CYS A 2 5.467 -1.637 -2.098 1.00 21.43 C ATOM 18 C CYS A 2 6.482 -0.748 -2.811 1.00 14.35 C ATOM 19 O CYS A 2 6.161 -0.096 -3.804 1.00 54.32 O ATOM 20 CB CYS A 2 5.476 -3.037 -2.717 1.00 14.53 C ATOM 21 SG CYS A 2 4.119 -4.110 -2.146 1.00 71.13 S ATOM 0 H CYS A 2 3.859 -0.739 -3.098 1.00 10.13 H new ATOM 0 HA CYS A 2 5.748 -1.709 -1.047 1.00 21.43 H new ATOM 0 HB2 CYS A 2 5.420 -2.944 -3.802 1.00 14.53 H new ATOM 0 HB3 CYS A 2 6.427 -3.518 -2.488 1.00 14.53 H new ATOM 26 N ARG A 3 7.707 -0.727 -2.296 1.00 13.22 N ATOM 27 CA ARG A 3 8.768 0.083 -2.882 1.00 71.10 C ATOM 28 C ARG A 3 10.075 -0.702 -2.952 1.00 12.31 C ATOM 29 O ARG A 3 10.171 -1.814 -2.433 1.00 64.11 O ATOM 30 CB ARG A 3 8.971 1.362 -2.068 1.00 24.01 C ATOM 31 CG ARG A 3 7.672 2.015 -1.625 1.00 44.43 C ATOM 32 CD ARG A 3 7.741 3.530 -1.747 1.00 73.43 C ATOM 33 NE ARG A 3 6.773 4.193 -0.878 1.00 54.01 N ATOM 34 CZ ARG A 3 6.673 5.512 -0.762 1.00 14.53 C ATOM 35 NH1 ARG A 3 7.477 6.305 -1.456 1.00 1.41 N ATOM 36 NH2 ARG A 3 5.766 6.041 0.050 1.00 0.32 N ATOM 0 H ARG A 3 7.989 -1.262 -1.474 1.00 13.22 H new ATOM 0 HA ARG A 3 8.470 0.350 -3.896 1.00 71.10 H new ATOM 0 HB2 ARG A 3 9.570 1.131 -1.187 1.00 24.01 H new ATOM 0 HB3 ARG A 3 9.541 2.075 -2.663 1.00 24.01 H new ATOM 0 HG2 ARG A 3 6.848 1.637 -2.231 1.00 44.43 H new ATOM 0 HG3 ARG A 3 7.460 1.741 -0.592 1.00 44.43 H new ATOM 0 HD2 ARG A 3 8.746 3.869 -1.495 1.00 73.43 H new ATOM 0 HD3 ARG A 3 7.557 3.819 -2.782 1.00 73.43 H new ATOM 0 HE ARG A 3 6.139 3.611 -0.330 1.00 54.01 H new ATOM 0 HH11 ARG A 3 8.175 5.902 -2.081 1.00 1.41 H new ATOM 0 HH12 ARG A 3 7.398 7.318 -1.365 1.00 1.41 H new ATOM 0 HH21 ARG A 3 5.145 5.434 0.585 1.00 0.32 H new ATOM 0 HH22 ARG A 3 5.690 7.054 0.139 1.00 0.32 H new ATOM 50 N TYR A 4 11.077 -0.115 -3.597 1.00 10.02 N ATOM 51 CA TYR A 4 12.377 -0.760 -3.737 1.00 41.13 C ATOM 52 C TYR A 4 13.303 -0.375 -2.588 1.00 4.31 C ATOM 53 O TYR A 4 12.899 0.321 -1.656 1.00 4.54 O ATOM 54 CB TYR A 4 13.017 -0.378 -5.073 1.00 24.30 C ATOM 55 CG TYR A 4 12.699 1.032 -5.516 1.00 74.44 C ATOM 56 CD1 TYR A 4 13.453 2.109 -5.068 1.00 41.03 C ATOM 57 CD2 TYR A 4 11.643 1.287 -6.382 1.00 75.34 C ATOM 58 CE1 TYR A 4 13.165 3.399 -5.470 1.00 41.11 C ATOM 59 CE2 TYR A 4 11.348 2.573 -6.791 1.00 3.23 C ATOM 60 CZ TYR A 4 12.112 3.626 -6.332 1.00 22.13 C ATOM 61 OH TYR A 4 11.821 4.909 -6.735 1.00 4.11 O ATOM 0 H TYR A 4 11.014 0.806 -4.031 1.00 10.02 H new ATOM 0 HA TYR A 4 12.224 -1.839 -3.710 1.00 41.13 H new ATOM 0 HB2 TYR A 4 14.098 -0.490 -4.993 1.00 24.30 H new ATOM 0 HB3 TYR A 4 12.680 -1.075 -5.840 1.00 24.30 H new ATOM 0 HD1 TYR A 4 14.279 1.935 -4.394 1.00 41.03 H new ATOM 0 HD2 TYR A 4 11.042 0.465 -6.742 1.00 75.34 H new ATOM 0 HE1 TYR A 4 13.761 4.225 -5.111 1.00 41.11 H new ATOM 0 HE2 TYR A 4 10.524 2.753 -7.466 1.00 3.23 H new ATOM 0 HH TYR A 4 11.052 4.895 -7.342 1.00 4.11 H new ATOM 71 N LEU A 5 14.548 -0.832 -2.662 1.00 25.02 N ATOM 72 CA LEU A 5 15.535 -0.536 -1.629 1.00 11.24 C ATOM 73 C LEU A 5 15.595 0.962 -1.347 1.00 44.10 C ATOM 74 O LEU A 5 15.553 1.390 -0.193 1.00 73.23 O ATOM 75 CB LEU A 5 16.914 -1.043 -2.053 1.00 4.34 C ATOM 76 CG LEU A 5 17.914 -1.293 -0.923 1.00 0.32 C ATOM 77 CD1 LEU A 5 19.095 -2.108 -1.426 1.00 3.12 C ATOM 78 CD2 LEU A 5 18.388 0.026 -0.329 1.00 31.34 C ATOM 0 H LEU A 5 14.898 -1.409 -3.427 1.00 25.02 H new ATOM 0 HA LEU A 5 15.233 -1.047 -0.715 1.00 11.24 H new ATOM 0 HB2 LEU A 5 16.783 -1.972 -2.607 1.00 4.34 H new ATOM 0 HB3 LEU A 5 17.349 -0.319 -2.743 1.00 4.34 H new ATOM 0 HG LEU A 5 17.413 -1.862 -0.140 1.00 0.32 H new ATOM 0 HD11 LEU A 5 19.796 -2.276 -0.608 1.00 3.12 H new ATOM 0 HD12 LEU A 5 18.741 -3.067 -1.803 1.00 3.12 H new ATOM 0 HD13 LEU A 5 19.596 -1.566 -2.228 1.00 3.12 H new ATOM 0 HD21 LEU A 5 19.099 -0.171 0.474 1.00 31.34 H new ATOM 0 HD22 LEU A 5 18.871 0.621 -1.104 1.00 31.34 H new ATOM 0 HD23 LEU A 5 17.534 0.574 0.069 1.00 31.34 H new ATOM 90 N PHE A 6 15.693 1.755 -2.409 1.00 1.11 N ATOM 91 CA PHE A 6 15.758 3.206 -2.276 1.00 61.23 C ATOM 92 C PHE A 6 14.375 3.790 -2.004 1.00 72.44 C ATOM 93 O PHE A 6 14.240 4.966 -1.672 1.00 51.54 O ATOM 94 CB PHE A 6 16.347 3.829 -3.544 1.00 0.24 C ATOM 95 CG PHE A 6 17.834 3.653 -3.663 1.00 72.43 C ATOM 96 CD1 PHE A 6 18.700 4.443 -2.926 1.00 23.03 C ATOM 97 CD2 PHE A 6 18.365 2.696 -4.514 1.00 52.40 C ATOM 98 CE1 PHE A 6 20.069 4.283 -3.033 1.00 70.22 C ATOM 99 CE2 PHE A 6 19.732 2.531 -4.625 1.00 45.43 C ATOM 100 CZ PHE A 6 20.586 3.326 -3.885 1.00 54.41 C ATOM 0 H PHE A 6 15.729 1.418 -3.371 1.00 1.11 H new ATOM 0 HA PHE A 6 16.404 3.440 -1.430 1.00 61.23 H new ATOM 0 HB2 PHE A 6 15.866 3.384 -4.415 1.00 0.24 H new ATOM 0 HB3 PHE A 6 16.113 4.893 -3.559 1.00 0.24 H new ATOM 0 HD1 PHE A 6 18.301 5.193 -2.259 1.00 23.03 H new ATOM 0 HD2 PHE A 6 17.703 2.073 -5.096 1.00 52.40 H new ATOM 0 HE1 PHE A 6 20.733 4.905 -2.452 1.00 70.22 H new ATOM 0 HE2 PHE A 6 20.133 1.781 -5.290 1.00 45.43 H new ATOM 0 HZ PHE A 6 21.655 3.200 -3.972 1.00 54.41 H new ATOM 110 N GLY A 7 13.348 2.957 -2.149 1.00 24.42 N ATOM 111 CA GLY A 7 11.989 3.407 -1.916 1.00 12.31 C ATOM 112 C GLY A 7 11.823 4.078 -0.567 1.00 4.22 C ATOM 113 O GLY A 7 11.611 5.288 -0.489 1.00 22.51 O ATOM 0 H GLY A 7 13.434 1.978 -2.424 1.00 24.42 H new ATOM 0 HA2 GLY A 7 11.701 4.104 -2.703 1.00 12.31 H new ATOM 0 HA3 GLY A 7 11.312 2.555 -1.980 1.00 12.31 H new ATOM 117 N GLY A 8 11.919 3.290 0.500 1.00 1.51 N ATOM 118 CA GLY A 8 11.774 3.833 1.838 1.00 3.13 C ATOM 119 C GLY A 8 10.461 3.439 2.485 1.00 51.25 C ATOM 120 O GLY A 8 9.398 3.569 1.877 1.00 13.31 O ATOM 0 H GLY A 8 12.094 2.286 0.461 1.00 1.51 H new ATOM 0 HA2 GLY A 8 12.600 3.486 2.459 1.00 3.13 H new ATOM 0 HA3 GLY A 8 11.842 4.920 1.795 1.00 3.13 H new ATOM 124 N CYS A 9 10.533 2.954 3.720 1.00 40.53 N ATOM 125 CA CYS A 9 9.341 2.538 4.449 1.00 64.21 C ATOM 126 C CYS A 9 9.588 2.566 5.955 1.00 55.33 C ATOM 127 O CYS A 9 10.678 2.911 6.409 1.00 22.15 O ATOM 128 CB CYS A 9 8.919 1.132 4.017 1.00 51.33 C ATOM 129 SG CYS A 9 10.296 -0.054 3.897 1.00 30.31 S ATOM 0 H CYS A 9 11.405 2.839 4.237 1.00 40.53 H new ATOM 0 HA CYS A 9 8.539 3.239 4.216 1.00 64.21 H new ATOM 0 HB2 CYS A 9 8.186 0.750 4.727 1.00 51.33 H new ATOM 0 HB3 CYS A 9 8.422 1.195 3.049 1.00 51.33 H new ATOM 134 N SER A 10 8.566 2.201 6.723 1.00 52.43 N ATOM 135 CA SER A 10 8.669 2.188 8.177 1.00 3.32 C ATOM 136 C SER A 10 8.623 0.760 8.712 1.00 4.32 C ATOM 137 O SER A 10 9.127 0.476 9.799 1.00 41.31 O ATOM 138 CB SER A 10 7.541 3.014 8.797 1.00 15.03 C ATOM 139 OG SER A 10 6.298 2.341 8.689 1.00 11.41 O ATOM 0 H SER A 10 7.657 1.910 6.362 1.00 52.43 H new ATOM 0 HA SER A 10 9.626 2.630 8.453 1.00 3.32 H new ATOM 0 HB2 SER A 10 7.763 3.209 9.846 1.00 15.03 H new ATOM 0 HB3 SER A 10 7.479 3.982 8.299 1.00 15.03 H new ATOM 0 HG SER A 10 5.593 2.888 9.094 1.00 11.41 H new ATOM 145 N SER A 11 8.015 -0.135 7.940 1.00 1.25 N ATOM 146 CA SER A 11 7.899 -1.533 8.337 1.00 21.13 C ATOM 147 C SER A 11 8.336 -2.457 7.205 1.00 73.34 C ATOM 148 O SER A 11 8.428 -2.042 6.049 1.00 62.43 O ATOM 149 CB SER A 11 6.459 -1.852 8.744 1.00 2.14 C ATOM 150 OG SER A 11 6.414 -2.945 9.645 1.00 71.33 O ATOM 0 H SER A 11 7.595 0.083 7.036 1.00 1.25 H new ATOM 0 HA SER A 11 8.555 -1.698 9.191 1.00 21.13 H new ATOM 0 HB2 SER A 11 6.006 -0.976 9.208 1.00 2.14 H new ATOM 0 HB3 SER A 11 5.870 -2.084 7.857 1.00 2.14 H new ATOM 0 HG SER A 11 5.483 -3.128 9.891 1.00 71.33 H new ATOM 156 N THR A 12 8.604 -3.714 7.545 1.00 74.33 N ATOM 157 CA THR A 12 9.032 -4.698 6.558 1.00 32.35 C ATOM 158 C THR A 12 7.885 -5.080 5.629 1.00 3.01 C ATOM 159 O THR A 12 8.108 -5.517 4.500 1.00 1.30 O ATOM 160 CB THR A 12 9.575 -5.971 7.234 1.00 23.23 C ATOM 161 OG1 THR A 12 8.567 -6.550 8.070 1.00 24.55 O ATOM 162 CG2 THR A 12 10.811 -5.658 8.064 1.00 2.21 C ATOM 0 H THR A 12 8.532 -4.075 8.496 1.00 74.33 H new ATOM 0 HA THR A 12 9.829 -4.236 5.976 1.00 32.35 H new ATOM 0 HB THR A 12 9.851 -6.680 6.454 1.00 23.23 H new ATOM 0 HG1 THR A 12 8.920 -7.360 8.495 1.00 24.55 H new ATOM 0 HG21 THR A 12 11.176 -6.572 8.532 1.00 2.21 H new ATOM 0 HG22 THR A 12 11.587 -5.245 7.420 1.00 2.21 H new ATOM 0 HG23 THR A 12 10.556 -4.932 8.836 1.00 2.21 H new ATOM 170 N SER A 13 6.658 -4.912 6.111 1.00 50.21 N ATOM 171 CA SER A 13 5.476 -5.242 5.324 1.00 51.04 C ATOM 172 C SER A 13 5.453 -4.450 4.020 1.00 52.21 C ATOM 173 O SER A 13 4.815 -4.852 3.047 1.00 34.52 O ATOM 174 CB SER A 13 4.206 -4.959 6.128 1.00 12.22 C ATOM 175 OG SER A 13 3.079 -5.583 5.538 1.00 15.50 O ATOM 0 H SER A 13 6.457 -4.549 7.043 1.00 50.21 H new ATOM 0 HA SER A 13 5.516 -6.304 5.083 1.00 51.04 H new ATOM 0 HB2 SER A 13 4.331 -5.318 7.150 1.00 12.22 H new ATOM 0 HB3 SER A 13 4.041 -3.883 6.186 1.00 12.22 H new ATOM 0 HG SER A 13 2.280 -5.388 6.072 1.00 15.50 H new ATOM 181 N ASP A 14 6.153 -3.321 4.009 1.00 64.25 N ATOM 182 CA ASP A 14 6.215 -2.472 2.825 1.00 42.51 C ATOM 183 C ASP A 14 7.067 -3.117 1.736 1.00 31.24 C ATOM 184 O ASP A 14 6.731 -3.057 0.553 1.00 5.21 O ATOM 185 CB ASP A 14 6.783 -1.098 3.186 1.00 13.11 C ATOM 186 CG ASP A 14 5.729 -0.168 3.755 1.00 4.14 C ATOM 187 OD1 ASP A 14 5.163 -0.494 4.819 1.00 20.22 O ATOM 188 OD2 ASP A 14 5.471 0.886 3.137 1.00 71.13 O ATOM 0 H ASP A 14 6.685 -2.973 4.806 1.00 64.25 H new ATOM 0 HA ASP A 14 5.201 -2.350 2.443 1.00 42.51 H new ATOM 0 HB2 ASP A 14 7.587 -1.220 3.912 1.00 13.11 H new ATOM 0 HB3 ASP A 14 7.222 -0.645 2.297 1.00 13.11 H new ATOM 193 N CYS A 15 8.171 -3.734 2.144 1.00 31.31 N ATOM 194 CA CYS A 15 9.072 -4.390 1.205 1.00 63.14 C ATOM 195 C CYS A 15 8.410 -5.616 0.581 1.00 5.31 C ATOM 196 O CYS A 15 8.115 -6.593 1.269 1.00 13.03 O ATOM 197 CB CYS A 15 10.367 -4.799 1.909 1.00 23.30 C ATOM 198 SG CYS A 15 11.328 -3.400 2.571 1.00 50.15 S ATOM 0 H CYS A 15 8.463 -3.793 3.120 1.00 31.31 H new ATOM 0 HA CYS A 15 9.306 -3.682 0.410 1.00 63.14 H new ATOM 0 HB2 CYS A 15 10.125 -5.478 2.726 1.00 23.30 H new ATOM 0 HB3 CYS A 15 10.990 -5.354 1.207 1.00 23.30 H new ATOM 203 N CYS A 16 8.181 -5.556 -0.726 1.00 61.34 N ATOM 204 CA CYS A 16 7.554 -6.660 -1.444 1.00 45.33 C ATOM 205 C CYS A 16 8.485 -7.205 -2.524 1.00 3.24 C ATOM 206 O CYS A 16 8.220 -8.250 -3.119 1.00 1.53 O ATOM 207 CB CYS A 16 6.237 -6.203 -2.074 1.00 62.04 C ATOM 208 SG CYS A 16 5.083 -5.422 -0.901 1.00 70.30 S ATOM 0 H CYS A 16 8.420 -4.755 -1.310 1.00 61.34 H new ATOM 0 HA CYS A 16 7.350 -7.457 -0.729 1.00 45.33 H new ATOM 0 HB2 CYS A 16 6.456 -5.498 -2.876 1.00 62.04 H new ATOM 0 HB3 CYS A 16 5.747 -7.063 -2.531 1.00 62.04 H new ATOM 213 N LYS A 17 9.578 -6.490 -2.771 1.00 54.11 N ATOM 214 CA LYS A 17 10.550 -6.901 -3.777 1.00 11.20 C ATOM 215 C LYS A 17 11.680 -7.706 -3.144 1.00 45.21 C ATOM 216 O LYS A 17 12.842 -7.573 -3.530 1.00 43.11 O ATOM 217 CB LYS A 17 11.121 -5.676 -4.494 1.00 44.41 C ATOM 218 CG LYS A 17 11.229 -5.847 -5.999 1.00 71.14 C ATOM 219 CD LYS A 17 9.948 -5.428 -6.701 1.00 71.12 C ATOM 220 CE LYS A 17 9.903 -5.941 -8.133 1.00 3.15 C ATOM 221 NZ LYS A 17 9.725 -7.418 -8.187 1.00 63.31 N ATOM 0 H LYS A 17 9.813 -5.623 -2.288 1.00 54.11 H new ATOM 0 HA LYS A 17 10.039 -7.534 -4.503 1.00 11.20 H new ATOM 0 HB2 LYS A 17 10.490 -4.813 -4.279 1.00 44.41 H new ATOM 0 HB3 LYS A 17 12.109 -5.457 -4.090 1.00 44.41 H new ATOM 0 HG2 LYS A 17 12.062 -5.253 -6.375 1.00 71.14 H new ATOM 0 HG3 LYS A 17 11.449 -6.889 -6.233 1.00 71.14 H new ATOM 0 HD2 LYS A 17 9.088 -5.809 -6.150 1.00 71.12 H new ATOM 0 HD3 LYS A 17 9.870 -4.341 -6.700 1.00 71.12 H new ATOM 0 HE2 LYS A 17 9.085 -5.457 -8.667 1.00 3.15 H new ATOM 0 HE3 LYS A 17 10.825 -5.667 -8.646 1.00 3.15 H new ATOM 0 HZ1 LYS A 17 9.430 -7.697 -9.144 1.00 63.31 H new ATOM 0 HZ2 LYS A 17 10.624 -7.885 -7.951 1.00 63.31 H new ATOM 0 HZ3 LYS A 17 8.996 -7.705 -7.503 1.00 63.31 H new ATOM 235 N HIS A 18 11.333 -8.542 -2.171 1.00 13.00 N ATOM 236 CA HIS A 18 12.319 -9.370 -1.486 1.00 72.31 C ATOM 237 C HIS A 18 13.326 -8.506 -0.734 1.00 11.14 C ATOM 238 O HIS A 18 14.520 -8.807 -0.705 1.00 71.53 O ATOM 239 CB HIS A 18 13.047 -10.267 -2.488 1.00 33.11 C ATOM 240 CG HIS A 18 13.634 -11.500 -1.872 1.00 54.21 C ATOM 241 ND1 HIS A 18 14.922 -11.924 -2.118 1.00 44.24 N ATOM 242 CD2 HIS A 18 13.100 -12.401 -1.014 1.00 43.21 C ATOM 243 CE1 HIS A 18 15.156 -13.033 -1.440 1.00 72.11 C ATOM 244 NE2 HIS A 18 14.066 -13.344 -0.761 1.00 41.44 N ATOM 0 H HIS A 18 10.376 -8.664 -1.839 1.00 13.00 H new ATOM 0 HA HIS A 18 11.793 -9.995 -0.764 1.00 72.31 H new ATOM 0 HB2 HIS A 18 12.351 -10.560 -3.274 1.00 33.11 H new ATOM 0 HB3 HIS A 18 13.843 -9.694 -2.964 1.00 33.11 H new ATOM 0 HD2 HIS A 18 12.101 -12.382 -0.605 1.00 43.21 H new ATOM 0 HE1 HIS A 18 16.081 -13.591 -1.440 1.00 72.11 H new ATOM 0 HE2 HIS A 18 13.959 -14.153 -0.149 1.00 41.44 H new ATOM 252 N LEU A 19 12.838 -7.430 -0.126 1.00 35.31 N ATOM 253 CA LEU A 19 13.695 -6.521 0.627 1.00 60.24 C ATOM 254 C LEU A 19 13.304 -6.498 2.101 1.00 75.24 C ATOM 255 O LEU A 19 12.222 -6.953 2.473 1.00 11.20 O ATOM 256 CB LEU A 19 13.612 -5.110 0.043 1.00 53.31 C ATOM 257 CG LEU A 19 13.958 -4.975 -1.440 1.00 63.13 C ATOM 258 CD1 LEU A 19 13.036 -3.972 -2.115 1.00 52.21 C ATOM 259 CD2 LEU A 19 15.413 -4.564 -1.613 1.00 24.42 C ATOM 0 H LEU A 19 11.853 -7.166 -0.140 1.00 35.31 H new ATOM 0 HA LEU A 19 14.721 -6.880 0.549 1.00 60.24 H new ATOM 0 HB2 LEU A 19 12.600 -4.735 0.195 1.00 53.31 H new ATOM 0 HB3 LEU A 19 14.280 -4.463 0.612 1.00 53.31 H new ATOM 0 HG LEU A 19 13.816 -5.945 -1.916 1.00 63.13 H new ATOM 0 HD11 LEU A 19 13.298 -3.890 -3.170 1.00 52.21 H new ATOM 0 HD12 LEU A 19 12.003 -4.308 -2.023 1.00 52.21 H new ATOM 0 HD13 LEU A 19 13.145 -2.998 -1.637 1.00 52.21 H new ATOM 0 HD21 LEU A 19 15.642 -4.473 -2.675 1.00 24.42 H new ATOM 0 HD22 LEU A 19 15.581 -3.606 -1.122 1.00 24.42 H new ATOM 0 HD23 LEU A 19 16.060 -5.319 -1.166 1.00 24.42 H new ATOM 271 N SER A 20 14.190 -5.964 2.935 1.00 52.23 N ATOM 272 CA SER A 20 13.938 -5.883 4.369 1.00 54.33 C ATOM 273 C SER A 20 13.991 -4.435 4.849 1.00 74.45 C ATOM 274 O SER A 20 15.024 -3.773 4.747 1.00 14.24 O ATOM 275 CB SER A 20 14.959 -6.724 5.136 1.00 4.00 C ATOM 276 OG SER A 20 16.252 -6.149 5.061 1.00 25.14 O ATOM 0 H SER A 20 15.089 -5.581 2.643 1.00 52.23 H new ATOM 0 HA SER A 20 12.939 -6.275 4.560 1.00 54.33 H new ATOM 0 HB2 SER A 20 14.655 -6.809 6.179 1.00 4.00 H new ATOM 0 HB3 SER A 20 14.983 -7.734 4.728 1.00 4.00 H new ATOM 0 HG SER A 20 16.438 -5.654 5.886 1.00 25.14 H new ATOM 282 N CYS A 21 12.869 -3.951 5.371 1.00 3.34 N ATOM 283 CA CYS A 21 12.785 -2.582 5.867 1.00 21.32 C ATOM 284 C CYS A 21 13.446 -2.458 7.237 1.00 30.51 C ATOM 285 O CYS A 21 12.933 -2.969 8.233 1.00 4.33 O ATOM 286 CB CYS A 21 11.324 -2.137 5.952 1.00 72.24 C ATOM 287 SG CYS A 21 11.074 -0.352 5.687 1.00 33.23 S ATOM 0 H CYS A 21 12.005 -4.486 5.462 1.00 3.34 H new ATOM 0 HA CYS A 21 13.315 -1.936 5.167 1.00 21.32 H new ATOM 0 HB2 CYS A 21 10.744 -2.688 5.212 1.00 72.24 H new ATOM 0 HB3 CYS A 21 10.930 -2.407 6.932 1.00 72.24 H new ATOM 292 N ARG A 22 14.586 -1.777 7.278 1.00 24.33 N ATOM 293 CA ARG A 22 15.318 -1.587 8.525 1.00 40.11 C ATOM 294 C ARG A 22 14.715 -0.447 9.340 1.00 1.14 C ATOM 295 O ARG A 22 14.416 0.621 8.806 1.00 10.14 O ATOM 296 CB ARG A 22 16.792 -1.298 8.237 1.00 64.03 C ATOM 297 CG ARG A 22 17.471 -2.371 7.401 1.00 42.21 C ATOM 298 CD ARG A 22 18.180 -3.393 8.276 1.00 72.14 C ATOM 299 NE ARG A 22 19.561 -3.010 8.556 1.00 71.10 N ATOM 300 CZ ARG A 22 20.370 -3.705 9.347 1.00 22.43 C ATOM 301 NH1 ARG A 22 19.939 -4.814 9.933 1.00 13.21 N ATOM 302 NH2 ARG A 22 21.614 -3.293 9.553 1.00 3.44 N ATOM 0 H ARG A 22 15.023 -1.348 6.463 1.00 24.33 H new ATOM 0 HA ARG A 22 15.242 -2.506 9.106 1.00 40.11 H new ATOM 0 HB2 ARG A 22 16.872 -0.342 7.720 1.00 64.03 H new ATOM 0 HB3 ARG A 22 17.325 -1.195 9.182 1.00 64.03 H new ATOM 0 HG2 ARG A 22 16.729 -2.874 6.780 1.00 42.21 H new ATOM 0 HG3 ARG A 22 18.190 -1.907 6.726 1.00 42.21 H new ATOM 0 HD2 ARG A 22 17.637 -3.505 9.215 1.00 72.14 H new ATOM 0 HD3 ARG A 22 18.166 -4.365 7.782 1.00 72.14 H new ATOM 0 HE ARG A 22 19.924 -2.162 8.120 1.00 71.10 H new ATOM 0 HH11 ARG A 22 18.984 -5.135 9.777 1.00 13.21 H new ATOM 0 HH12 ARG A 22 20.563 -5.346 10.540 1.00 13.21 H new ATOM 0 HH21 ARG A 22 21.950 -2.441 9.104 1.00 3.44 H new ATOM 0 HH22 ARG A 22 22.234 -3.828 10.161 1.00 3.44 H new ATOM 316 N SER A 23 14.539 -0.682 10.637 1.00 62.12 N ATOM 317 CA SER A 23 13.968 0.323 11.525 1.00 1.14 C ATOM 318 C SER A 23 14.996 1.400 11.860 1.00 62.31 C ATOM 319 O SER A 23 14.683 2.388 12.523 1.00 13.24 O ATOM 320 CB SER A 23 13.462 -0.332 12.812 1.00 14.40 C ATOM 321 OG SER A 23 14.285 -1.422 13.188 1.00 4.40 O ATOM 0 H SER A 23 14.784 -1.560 11.095 1.00 62.12 H new ATOM 0 HA SER A 23 13.130 0.793 11.010 1.00 1.14 H new ATOM 0 HB2 SER A 23 13.441 0.405 13.615 1.00 14.40 H new ATOM 0 HB3 SER A 23 12.438 -0.678 12.669 1.00 14.40 H new ATOM 0 HG SER A 23 13.941 -1.822 14.014 1.00 4.40 H new ATOM 327 N ASP A 24 16.225 1.200 11.396 1.00 73.14 N ATOM 328 CA ASP A 24 17.300 2.153 11.644 1.00 41.13 C ATOM 329 C ASP A 24 17.202 3.342 10.693 1.00 2.32 C ATOM 330 O ASP A 24 17.080 4.488 11.127 1.00 31.34 O ATOM 331 CB ASP A 24 18.660 1.471 11.489 1.00 45.32 C ATOM 332 CG ASP A 24 19.815 2.409 11.781 1.00 11.45 C ATOM 333 OD1 ASP A 24 19.641 3.323 12.615 1.00 32.14 O ATOM 334 OD2 ASP A 24 20.893 2.230 11.177 1.00 33.44 O ATOM 0 H ASP A 24 16.501 0.386 10.846 1.00 73.14 H new ATOM 0 HA ASP A 24 17.200 2.519 12.666 1.00 41.13 H new ATOM 0 HB2 ASP A 24 18.712 0.615 12.161 1.00 45.32 H new ATOM 0 HB3 ASP A 24 18.756 1.086 10.474 1.00 45.32 H new ATOM 339 N TRP A 25 17.258 3.062 9.396 1.00 12.43 N ATOM 340 CA TRP A 25 17.177 4.110 8.384 1.00 35.43 C ATOM 341 C TRP A 25 15.767 4.204 7.811 1.00 50.12 C ATOM 342 O TRP A 25 15.439 5.150 7.094 1.00 45.10 O ATOM 343 CB TRP A 25 18.180 3.842 7.262 1.00 63.32 C ATOM 344 CG TRP A 25 19.543 4.401 7.537 1.00 1.45 C ATOM 345 CD1 TRP A 25 20.306 4.191 8.651 1.00 54.32 C ATOM 346 CD2 TRP A 25 20.303 5.265 6.685 1.00 2.13 C ATOM 347 NE1 TRP A 25 21.494 4.872 8.542 1.00 0.31 N ATOM 348 CE2 TRP A 25 21.517 5.538 7.345 1.00 4.12 C ATOM 349 CE3 TRP A 25 20.077 5.833 5.428 1.00 25.54 C ATOM 350 CZ2 TRP A 25 22.499 6.354 6.789 1.00 1.25 C ATOM 351 CZ3 TRP A 25 21.053 6.643 4.878 1.00 34.54 C ATOM 352 CH2 TRP A 25 22.251 6.897 5.558 1.00 65.32 C ATOM 0 H TRP A 25 17.359 2.119 9.020 1.00 12.43 H new ATOM 0 HA TRP A 25 17.420 5.060 8.859 1.00 35.43 H new ATOM 0 HB2 TRP A 25 18.261 2.766 7.106 1.00 63.32 H new ATOM 0 HB3 TRP A 25 17.800 4.270 6.335 1.00 63.32 H new ATOM 0 HD1 TRP A 25 20.017 3.580 9.493 1.00 54.32 H new ATOM 0 HE1 TRP A 25 22.238 4.880 9.239 1.00 0.31 H new ATOM 0 HE3 TRP A 25 19.157 5.643 4.896 1.00 25.54 H new ATOM 0 HZ2 TRP A 25 23.424 6.551 7.311 1.00 1.25 H new ATOM 0 HZ3 TRP A 25 20.889 7.088 3.907 1.00 34.54 H new ATOM 0 HH2 TRP A 25 22.994 7.534 5.101 1.00 65.32 H new ATOM 363 N LYS A 26 14.935 3.218 8.131 1.00 45.35 N ATOM 364 CA LYS A 26 13.560 3.191 7.648 1.00 33.44 C ATOM 365 C LYS A 26 13.518 3.068 6.129 1.00 60.34 C ATOM 366 O LYS A 26 12.884 3.875 5.448 1.00 24.21 O ATOM 367 CB LYS A 26 12.818 4.454 8.089 1.00 14.41 C ATOM 368 CG LYS A 26 12.996 4.782 9.561 1.00 10.34 C ATOM 369 CD LYS A 26 12.134 5.962 9.978 1.00 12.03 C ATOM 370 CE LYS A 26 12.833 7.286 9.710 1.00 71.23 C ATOM 371 NZ LYS A 26 13.949 7.527 10.665 1.00 3.43 N ATOM 0 H LYS A 26 15.190 2.427 8.723 1.00 45.35 H new ATOM 0 HA LYS A 26 13.068 2.319 8.078 1.00 33.44 H new ATOM 0 HB2 LYS A 26 13.167 5.297 7.493 1.00 14.41 H new ATOM 0 HB3 LYS A 26 11.755 4.333 7.878 1.00 14.41 H new ATOM 0 HG2 LYS A 26 12.737 3.911 10.163 1.00 10.34 H new ATOM 0 HG3 LYS A 26 14.044 5.007 9.760 1.00 10.34 H new ATOM 0 HD2 LYS A 26 11.189 5.932 9.436 1.00 12.03 H new ATOM 0 HD3 LYS A 26 11.896 5.883 11.039 1.00 12.03 H new ATOM 0 HE2 LYS A 26 13.219 7.293 8.691 1.00 71.23 H new ATOM 0 HE3 LYS A 26 12.111 8.099 9.783 1.00 71.23 H new ATOM 0 HZ1 LYS A 26 14.210 8.534 10.647 1.00 3.43 H new ATOM 0 HZ2 LYS A 26 13.647 7.265 11.625 1.00 3.43 H new ATOM 0 HZ3 LYS A 26 14.771 6.951 10.391 1.00 3.43 H new ATOM 385 N TYR A 27 14.195 2.053 5.603 1.00 3.10 N ATOM 386 CA TYR A 27 14.236 1.826 4.163 1.00 22.44 C ATOM 387 C TYR A 27 14.450 0.347 3.851 1.00 14.54 C ATOM 388 O TYR A 27 15.003 -0.397 4.661 1.00 2.22 O ATOM 389 CB TYR A 27 15.349 2.659 3.526 1.00 61.34 C ATOM 390 CG TYR A 27 16.725 2.052 3.682 1.00 2.12 C ATOM 391 CD1 TYR A 27 17.228 1.736 4.939 1.00 55.23 C ATOM 392 CD2 TYR A 27 17.523 1.796 2.574 1.00 25.24 C ATOM 393 CE1 TYR A 27 18.485 1.182 5.087 1.00 55.50 C ATOM 394 CE2 TYR A 27 18.781 1.241 2.713 1.00 31.00 C ATOM 395 CZ TYR A 27 19.257 0.936 3.971 1.00 1.32 C ATOM 396 OH TYR A 27 20.510 0.385 4.114 1.00 72.25 O ATOM 0 H TYR A 27 14.723 1.375 6.152 1.00 3.10 H new ATOM 0 HA TYR A 27 13.277 2.132 3.745 1.00 22.44 H new ATOM 0 HB2 TYR A 27 15.135 2.785 2.465 1.00 61.34 H new ATOM 0 HB3 TYR A 27 15.347 3.654 3.972 1.00 61.34 H new ATOM 0 HD1 TYR A 27 16.626 1.927 5.815 1.00 55.23 H new ATOM 0 HD2 TYR A 27 17.154 2.035 1.587 1.00 25.24 H new ATOM 0 HE1 TYR A 27 18.861 0.943 6.071 1.00 55.50 H new ATOM 0 HE2 TYR A 27 19.388 1.047 1.841 1.00 31.00 H new ATOM 0 HH TYR A 27 20.922 0.275 3.231 1.00 72.25 H new ATOM 406 N CYS A 28 14.007 -0.071 2.671 1.00 74.04 N ATOM 407 CA CYS A 28 14.148 -1.459 2.249 1.00 72.35 C ATOM 408 C CYS A 28 15.617 -1.821 2.052 1.00 22.44 C ATOM 409 O CYS A 28 16.441 -0.965 1.731 1.00 34.13 O ATOM 410 CB CYS A 28 13.374 -1.701 0.951 1.00 41.01 C ATOM 411 SG CYS A 28 11.599 -2.030 1.194 1.00 31.01 S ATOM 0 H CYS A 28 13.547 0.532 1.989 1.00 74.04 H new ATOM 0 HA CYS A 28 13.737 -2.094 3.034 1.00 72.35 H new ATOM 0 HB2 CYS A 28 13.486 -0.830 0.306 1.00 41.01 H new ATOM 0 HB3 CYS A 28 13.821 -2.546 0.426 1.00 41.01 H new ATOM 416 N ALA A 29 15.938 -3.096 2.248 1.00 72.22 N ATOM 417 CA ALA A 29 17.306 -3.573 2.090 1.00 4.54 C ATOM 418 C ALA A 29 17.348 -4.869 1.289 1.00 73.03 C ATOM 419 O ALA A 29 16.484 -5.732 1.442 1.00 31.44 O ATOM 420 CB ALA A 29 17.956 -3.771 3.452 1.00 42.32 C ATOM 0 H ALA A 29 15.269 -3.817 2.517 1.00 72.22 H new ATOM 0 HA ALA A 29 17.866 -2.818 1.538 1.00 4.54 H new ATOM 0 HB1 ALA A 29 18.977 -4.127 3.319 1.00 42.32 H new ATOM 0 HB2 ALA A 29 17.969 -2.823 3.990 1.00 42.32 H new ATOM 0 HB3 ALA A 29 17.387 -4.504 4.023 1.00 42.32 H new ATOM 426 N TRP A 30 18.355 -4.998 0.433 1.00 24.14 N ATOM 427 CA TRP A 30 18.508 -6.190 -0.393 1.00 41.03 C ATOM 428 C TRP A 30 19.008 -7.367 0.436 1.00 21.52 C ATOM 429 O TRP A 30 19.466 -7.193 1.566 1.00 75.02 O ATOM 430 CB TRP A 30 19.475 -5.915 -1.546 1.00 73.54 C ATOM 431 CG TRP A 30 18.785 -5.538 -2.823 1.00 21.14 C ATOM 432 CD1 TRP A 30 19.064 -4.464 -3.618 1.00 41.22 C ATOM 433 CD2 TRP A 30 17.701 -6.233 -3.448 1.00 52.44 C ATOM 434 NE1 TRP A 30 18.218 -4.449 -4.701 1.00 44.51 N ATOM 435 CE2 TRP A 30 17.373 -5.523 -4.621 1.00 22.53 C ATOM 436 CE3 TRP A 30 16.976 -7.385 -3.134 1.00 61.30 C ATOM 437 CZ2 TRP A 30 16.352 -5.930 -5.476 1.00 23.35 C ATOM 438 CZ3 TRP A 30 15.963 -7.788 -3.983 1.00 40.53 C ATOM 439 CH2 TRP A 30 15.659 -7.062 -5.143 1.00 61.31 C ATOM 0 H TRP A 30 19.078 -4.292 0.293 1.00 24.14 H new ATOM 0 HA TRP A 30 17.530 -6.447 -0.801 1.00 41.03 H new ATOM 0 HB2 TRP A 30 20.154 -5.113 -1.258 1.00 73.54 H new ATOM 0 HB3 TRP A 30 20.085 -6.802 -1.719 1.00 73.54 H new ATOM 0 HD1 TRP A 30 19.836 -3.734 -3.424 1.00 41.22 H new ATOM 0 HE1 TRP A 30 18.220 -3.750 -5.444 1.00 44.51 H new ATOM 0 HE3 TRP A 30 17.203 -7.951 -2.243 1.00 61.30 H new ATOM 0 HZ2 TRP A 30 16.116 -5.372 -6.370 1.00 23.35 H new ATOM 0 HZ3 TRP A 30 15.396 -8.677 -3.749 1.00 40.53 H new ATOM 0 HH2 TRP A 30 14.862 -7.403 -5.787 1.00 61.31 H new ATOM 450 N ASP A 31 18.918 -8.565 -0.131 1.00 25.42 N ATOM 451 CA ASP A 31 19.363 -9.772 0.557 1.00 65.03 C ATOM 452 C ASP A 31 18.687 -9.903 1.918 1.00 74.05 C ATOM 453 O ASP A 31 19.257 -10.458 2.855 1.00 23.52 O ATOM 454 CB ASP A 31 20.883 -9.756 0.729 1.00 42.34 C ATOM 455 CG ASP A 31 21.603 -9.309 -0.528 1.00 42.34 C ATOM 456 OD1 ASP A 31 21.857 -10.164 -1.403 1.00 54.52 O ATOM 457 OD2 ASP A 31 21.913 -8.104 -0.638 1.00 33.11 O ATOM 0 H ASP A 31 18.541 -8.727 -1.065 1.00 25.42 H new ATOM 0 HA ASP A 31 19.083 -10.631 -0.052 1.00 65.03 H new ATOM 0 HB2 ASP A 31 21.146 -9.090 1.551 1.00 42.34 H new ATOM 0 HB3 ASP A 31 21.225 -10.753 1.005 1.00 42.34 H new ATOM 462 N GLY A 32 17.466 -9.386 2.018 1.00 74.21 N ATOM 463 CA GLY A 32 16.732 -9.455 3.268 1.00 55.41 C ATOM 464 C GLY A 32 17.428 -8.712 4.391 1.00 41.23 C ATOM 465 O GLY A 32 18.229 -7.809 4.146 1.00 51.23 O ATOM 0 H GLY A 32 16.972 -8.921 1.256 1.00 74.21 H new ATOM 0 HA2 GLY A 32 15.735 -9.038 3.124 1.00 55.41 H new ATOM 0 HA3 GLY A 32 16.603 -10.499 3.553 1.00 55.41 H new ATOM 469 N THR A 33 17.122 -9.091 5.628 1.00 45.51 N ATOM 470 CA THR A 33 17.722 -8.452 6.793 1.00 64.32 C ATOM 471 C THR A 33 19.199 -8.810 6.916 1.00 21.11 C ATOM 472 O THR A 33 19.643 -9.841 6.410 1.00 51.12 O ATOM 473 CB THR A 33 16.998 -8.857 8.090 1.00 12.25 C ATOM 474 OG1 THR A 33 17.002 -10.282 8.230 1.00 0.12 O ATOM 475 CG2 THR A 33 15.565 -8.346 8.092 1.00 72.33 C ATOM 0 H THR A 33 16.462 -9.837 5.849 1.00 45.51 H new ATOM 0 HA THR A 33 17.622 -7.376 6.650 1.00 64.32 H new ATOM 0 HB THR A 33 17.528 -8.409 8.930 1.00 12.25 H new ATOM 0 HG1 THR A 33 16.541 -10.531 9.058 1.00 0.12 H new ATOM 0 HG21 THR A 33 15.074 -8.644 9.018 1.00 72.33 H new ATOM 0 HG22 THR A 33 15.566 -7.259 8.016 1.00 72.33 H new ATOM 0 HG23 THR A 33 15.027 -8.768 7.243 1.00 72.33 H new ATOM 483 N PHE A 34 19.956 -7.953 7.593 1.00 43.23 N ATOM 484 CA PHE A 34 21.384 -8.179 7.782 1.00 4.24 C ATOM 485 C PHE A 34 21.696 -8.490 9.243 1.00 4.13 C ATOM 486 O PHE A 34 21.147 -7.868 10.153 1.00 72.44 O ATOM 487 CB PHE A 34 22.181 -6.954 7.329 1.00 51.43 C ATOM 488 CG PHE A 34 22.200 -6.769 5.838 1.00 31.32 C ATOM 489 CD1 PHE A 34 22.635 -7.789 5.006 1.00 11.44 C ATOM 490 CD2 PHE A 34 21.782 -5.577 5.269 1.00 64.21 C ATOM 491 CE1 PHE A 34 22.654 -7.621 3.635 1.00 62.13 C ATOM 492 CE2 PHE A 34 21.799 -5.404 3.898 1.00 61.14 C ATOM 493 CZ PHE A 34 22.235 -6.428 3.079 1.00 34.05 C ATOM 0 H PHE A 34 19.604 -7.096 8.020 1.00 43.23 H new ATOM 0 HA PHE A 34 21.674 -9.037 7.175 1.00 4.24 H new ATOM 0 HB2 PHE A 34 21.757 -6.063 7.792 1.00 51.43 H new ATOM 0 HB3 PHE A 34 23.206 -7.044 7.689 1.00 51.43 H new ATOM 0 HD1 PHE A 34 22.962 -8.725 5.434 1.00 11.44 H new ATOM 0 HD2 PHE A 34 21.439 -4.774 5.904 1.00 64.21 H new ATOM 0 HE1 PHE A 34 22.997 -8.423 2.998 1.00 62.13 H new ATOM 0 HE2 PHE A 34 21.472 -4.469 3.467 1.00 61.14 H new ATOM 0 HZ PHE A 34 22.248 -6.296 2.007 1.00 34.05 H new ATOM 503 N SER A 35 22.582 -9.457 9.460 1.00 43.10 N ATOM 504 CA SER A 35 22.965 -9.855 10.810 1.00 50.43 C ATOM 505 C SER A 35 23.819 -8.777 11.472 1.00 73.41 C ATOM 506 O SER A 35 24.248 -8.927 12.615 1.00 63.45 O ATOM 507 CB SER A 35 23.730 -11.179 10.776 1.00 2.13 C ATOM 508 OG SER A 35 23.088 -12.118 9.932 1.00 52.15 O ATOM 0 H SER A 35 23.048 -9.979 8.718 1.00 43.10 H new ATOM 0 HA SER A 35 22.055 -9.984 11.397 1.00 50.43 H new ATOM 0 HB2 SER A 35 24.747 -11.006 10.425 1.00 2.13 H new ATOM 0 HB3 SER A 35 23.806 -11.585 11.785 1.00 2.13 H new ATOM 0 HG SER A 35 23.598 -12.955 9.926 1.00 52.15 H new TER 514 SER A 35