USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 205 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 SER N :NH3+ 176:sc= -0.178 (180deg=-0.193) USER MOD Single : A 1 SER OG : rot 41:sc= 0.751 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 6 GLN : amide:sc= -0.702 K(o=-0.7,f=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= -0.128 (180deg=-1.74) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.138 19.496 -12.316 1.00 20.23 N ATOM 2 CA SER A 1 -0.393 20.005 -13.575 1.00 22.42 C ATOM 3 C SER A 1 -0.774 18.858 -14.508 1.00 24.24 C ATOM 4 O SER A 1 0.084 18.267 -15.163 1.00 74.52 O ATOM 5 CB SER A 1 0.633 20.912 -14.257 1.00 70.21 C ATOM 6 OG SER A 1 1.848 20.222 -14.491 1.00 65.24 O ATOM 0 H1 SER A 1 0.453 20.292 -11.725 1.00 20.23 H new ATOM 0 H2 SER A 1 -0.603 18.965 -11.816 1.00 20.23 H new ATOM 0 H3 SER A 1 0.944 18.867 -12.508 1.00 20.23 H new ATOM 0 HA SER A 1 -1.290 20.584 -13.354 1.00 22.42 H new ATOM 0 HB2 SER A 1 0.230 21.276 -15.202 1.00 70.21 H new ATOM 0 HB3 SER A 1 0.822 21.786 -13.634 1.00 70.21 H new ATOM 0 HG SER A 1 1.653 19.313 -14.801 1.00 65.24 H new ATOM 11 N GLN A 2 -2.066 18.550 -14.559 1.00 45.43 N ATOM 12 CA GLN A 2 -2.560 17.474 -15.410 1.00 14.41 C ATOM 13 C GLN A 2 -1.914 16.145 -15.037 1.00 33.32 C ATOM 14 O GLN A 2 -1.589 15.337 -15.906 1.00 3.31 O ATOM 15 CB GLN A 2 -2.287 17.792 -16.881 1.00 32.44 C ATOM 16 CG GLN A 2 -3.259 17.121 -17.839 1.00 25.24 C ATOM 17 CD GLN A 2 -2.647 16.861 -19.202 1.00 25.03 C ATOM 18 OE1 GLN A 2 -2.327 17.792 -19.939 1.00 53.12 O ATOM 19 NE2 GLN A 2 -2.483 15.588 -19.544 1.00 63.52 N ATOM 0 H GLN A 2 -2.789 19.030 -14.022 1.00 45.43 H new ATOM 0 HA GLN A 2 -3.636 17.390 -15.258 1.00 14.41 H new ATOM 0 HB2 GLN A 2 -2.334 18.871 -17.026 1.00 32.44 H new ATOM 0 HB3 GLN A 2 -1.272 17.481 -17.129 1.00 32.44 H new ATOM 0 HG2 GLN A 2 -3.594 16.177 -17.409 1.00 25.24 H new ATOM 0 HG3 GLN A 2 -4.142 17.750 -17.955 1.00 25.24 H new ATOM 0 HE21 GLN A 2 -2.763 14.847 -18.901 1.00 63.52 H new ATOM 0 HE22 GLN A 2 -2.077 15.351 -20.449 1.00 63.52 H new ATOM 26 N GLU A 3 -1.730 15.926 -13.739 1.00 52.11 N ATOM 27 CA GLU A 3 -1.120 14.693 -13.251 1.00 73.52 C ATOM 28 C GLU A 3 -1.924 14.111 -12.092 1.00 72.20 C ATOM 29 O GLU A 3 -2.959 14.654 -11.706 1.00 62.44 O ATOM 30 CB GLU A 3 0.321 14.952 -12.808 1.00 14.41 C ATOM 31 CG GLU A 3 0.437 15.939 -11.659 1.00 32.41 C ATOM 32 CD GLU A 3 1.836 15.996 -11.078 1.00 30.12 C ATOM 33 OE1 GLU A 3 2.771 16.367 -11.817 1.00 21.14 O ATOM 34 OE2 GLU A 3 1.996 15.668 -9.883 1.00 51.31 O ATOM 0 H GLU A 3 -1.994 16.585 -13.007 1.00 52.11 H new ATOM 0 HA GLU A 3 -1.117 13.971 -14.067 1.00 73.52 H new ATOM 0 HB2 GLU A 3 0.776 14.007 -12.511 1.00 14.41 H new ATOM 0 HB3 GLU A 3 0.891 15.328 -13.658 1.00 14.41 H new ATOM 0 HG2 GLU A 3 0.152 16.932 -12.007 1.00 32.41 H new ATOM 0 HG3 GLU A 3 -0.267 15.662 -10.874 1.00 32.41 H new ATOM 39 N GLN A 4 -1.439 13.002 -11.543 1.00 63.22 N ATOM 40 CA GLN A 4 -2.112 12.345 -10.429 1.00 12.35 C ATOM 41 C GLN A 4 -1.103 11.687 -9.493 1.00 24.53 C ATOM 42 O GLN A 4 -0.695 10.546 -9.708 1.00 34.34 O ATOM 43 CB GLN A 4 -3.100 11.298 -10.948 1.00 41.33 C ATOM 44 CG GLN A 4 -4.196 10.950 -9.954 1.00 54.21 C ATOM 45 CD GLN A 4 -5.384 10.274 -10.608 1.00 41.23 C ATOM 46 OE1 GLN A 4 -5.295 9.792 -11.738 1.00 73.35 O ATOM 47 NE2 GLN A 4 -6.508 10.234 -9.901 1.00 23.12 N ATOM 0 H GLN A 4 -0.583 12.540 -11.851 1.00 63.22 H new ATOM 0 HA GLN A 4 -2.658 13.105 -9.869 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -3.557 11.666 -11.866 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -2.553 10.391 -11.206 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -3.788 10.295 -9.184 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -4.530 11.859 -9.454 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -6.539 10.646 -8.968 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -7.340 9.792 -10.291 1.00 23.12 H new ATOM 54 N ARG A 5 -0.703 12.416 -8.456 1.00 24.24 N ATOM 55 CA ARG A 5 0.261 11.904 -7.489 1.00 44.30 C ATOM 56 C ARG A 5 -0.318 10.721 -6.719 1.00 24.55 C ATOM 57 O ARG A 5 -1.254 10.876 -5.936 1.00 51.44 O ATOM 58 CB ARG A 5 0.672 13.009 -6.514 1.00 4.14 C ATOM 59 CG ARG A 5 1.734 12.576 -5.517 1.00 0.41 C ATOM 60 CD ARG A 5 3.109 13.096 -5.908 1.00 24.14 C ATOM 61 NE ARG A 5 3.997 13.216 -4.755 1.00 54.10 N ATOM 62 CZ ARG A 5 5.165 13.848 -4.790 1.00 32.21 C ATOM 63 NH1 ARG A 5 5.584 14.413 -5.914 1.00 2.14 N ATOM 64 NH2 ARG A 5 5.918 13.914 -3.698 1.00 62.22 N ATOM 0 H ARG A 5 -1.031 13.362 -8.264 1.00 24.24 H new ATOM 0 HA ARG A 5 1.141 11.564 -8.035 1.00 44.30 H new ATOM 0 HB2 ARG A 5 1.044 13.862 -7.081 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -0.209 13.348 -5.969 1.00 4.14 H new ATOM 0 HG2 ARG A 5 1.474 12.943 -4.524 1.00 0.41 H new ATOM 0 HG3 ARG A 5 1.758 11.488 -5.459 1.00 0.41 H new ATOM 0 HD2 ARG A 5 3.556 12.424 -6.641 1.00 24.14 H new ATOM 0 HD3 ARG A 5 3.005 14.069 -6.389 1.00 24.14 H new ATOM 0 HE ARG A 5 3.705 12.791 -3.875 1.00 54.10 H new ATOM 0 HH11 ARG A 5 5.009 14.363 -6.755 1.00 2.14 H new ATOM 0 HH12 ARG A 5 6.481 14.898 -5.938 1.00 2.14 H new ATOM 0 HH21 ARG A 5 5.600 13.479 -2.832 1.00 62.22 H new ATOM 0 HH22 ARG A 5 6.815 14.399 -3.725 1.00 62.22 H new ATOM 75 N GLN A 6 0.245 9.539 -6.950 1.00 43.01 N ATOM 76 CA GLN A 6 -0.216 8.329 -6.280 1.00 41.20 C ATOM 77 C GLN A 6 0.217 8.319 -4.817 1.00 73.21 C ATOM 78 O GLN A 6 0.756 9.305 -4.311 1.00 30.24 O ATOM 79 CB GLN A 6 0.325 7.088 -6.992 1.00 64.51 C ATOM 80 CG GLN A 6 0.020 7.060 -8.481 1.00 0.03 C ATOM 81 CD GLN A 6 0.880 6.065 -9.234 1.00 2.42 C ATOM 82 OE1 GLN A 6 1.752 6.447 -10.015 1.00 32.32 O ATOM 83 NE2 GLN A 6 0.641 4.780 -9.002 1.00 71.04 N ATOM 0 H GLN A 6 1.021 9.394 -7.596 1.00 43.01 H new ATOM 0 HA GLN A 6 -1.305 8.315 -6.319 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.405 7.039 -6.850 1.00 64.51 H new ATOM 0 HB3 GLN A 6 -0.098 6.198 -6.526 1.00 64.51 H new ATOM 0 HG2 GLN A 6 -1.031 6.811 -8.628 1.00 0.03 H new ATOM 0 HG3 GLN A 6 0.173 8.055 -8.898 1.00 0.03 H new ATOM 0 HE21 GLN A 6 -0.092 4.508 -8.347 1.00 71.04 H new ATOM 0 HE22 GLN A 6 1.190 4.065 -9.479 1.00 71.04 H new ATOM 90 N CYS A 7 -0.024 7.200 -4.142 1.00 60.03 N ATOM 91 CA CYS A 7 0.340 7.062 -2.736 1.00 74.31 C ATOM 92 C CYS A 7 1.739 6.469 -2.592 1.00 41.34 C ATOM 93 O CYS A 7 2.597 7.032 -1.914 1.00 64.53 O ATOM 94 CB CYS A 7 -0.677 6.179 -2.010 1.00 2.41 C ATOM 95 SG CYS A 7 -2.405 6.474 -2.507 1.00 33.30 S ATOM 0 H CYS A 7 -0.470 6.376 -4.545 1.00 60.03 H new ATOM 0 HA CYS A 7 0.337 8.055 -2.286 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.431 5.133 -2.193 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.585 6.345 -0.937 1.00 2.41 H new ATOM 99 N LYS A 8 1.961 5.327 -3.236 1.00 50.45 N ATOM 100 CA LYS A 8 3.254 4.657 -3.182 1.00 14.15 C ATOM 101 C LYS A 8 3.401 3.666 -4.332 1.00 2.44 C ATOM 102 O LYS A 8 2.821 2.581 -4.309 1.00 25.42 O ATOM 103 CB LYS A 8 3.420 3.932 -1.845 1.00 45.25 C ATOM 104 CG LYS A 8 4.008 4.804 -0.749 1.00 75.25 C ATOM 105 CD LYS A 8 2.956 5.198 0.275 1.00 73.21 C ATOM 106 CE LYS A 8 3.258 4.602 1.641 1.00 61.44 C ATOM 107 NZ LYS A 8 2.277 5.047 2.669 1.00 64.31 N ATOM 0 H LYS A 8 1.261 4.847 -3.801 1.00 50.45 H new ATOM 0 HA LYS A 8 4.032 5.414 -3.276 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.448 3.560 -1.520 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.062 3.063 -1.990 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.818 4.269 -0.253 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.442 5.701 -1.190 1.00 75.25 H new ATOM 0 HD2 LYS A 8 2.911 6.284 0.353 1.00 73.21 H new ATOM 0 HD3 LYS A 8 1.975 4.862 -0.061 1.00 73.21 H new ATOM 0 HE2 LYS A 8 3.245 3.514 1.574 1.00 61.44 H new ATOM 0 HE3 LYS A 8 4.263 4.890 1.949 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 2.517 4.619 3.586 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 2.307 6.083 2.752 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 1.321 4.750 2.388 1.00 64.31 H new ATOM 117 N LYS A 9 4.183 4.046 -5.337 1.00 61.20 N ATOM 118 CA LYS A 9 4.410 3.189 -6.496 1.00 45.51 C ATOM 119 C LYS A 9 5.481 2.145 -6.198 1.00 53.34 C ATOM 120 O LYS A 9 5.914 1.994 -5.056 1.00 41.01 O ATOM 121 CB LYS A 9 4.825 4.031 -7.704 1.00 23.31 C ATOM 122 CG LYS A 9 3.860 5.162 -8.018 1.00 74.25 C ATOM 123 CD LYS A 9 4.591 6.478 -8.221 1.00 43.40 C ATOM 124 CE LYS A 9 3.797 7.649 -7.658 1.00 12.14 C ATOM 125 NZ LYS A 9 4.496 8.946 -7.872 1.00 0.04 N ATOM 0 H LYS A 9 4.670 4.941 -5.373 1.00 61.20 H new ATOM 0 HA LYS A 9 3.478 2.673 -6.724 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.815 4.449 -7.522 1.00 23.31 H new ATOM 0 HB3 LYS A 9 4.908 3.383 -8.577 1.00 23.31 H new ATOM 0 HG2 LYS A 9 3.292 4.918 -8.916 1.00 74.25 H new ATOM 0 HG3 LYS A 9 3.142 5.265 -7.204 1.00 74.25 H new ATOM 0 HD2 LYS A 9 5.567 6.432 -7.737 1.00 43.40 H new ATOM 0 HD3 LYS A 9 4.770 6.636 -9.285 1.00 43.40 H new ATOM 0 HE2 LYS A 9 2.815 7.683 -8.131 1.00 12.14 H new ATOM 0 HE3 LYS A 9 3.632 7.497 -6.591 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 3.924 9.718 -7.475 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 5.422 8.923 -7.400 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 4.631 9.104 -8.891 1.00 0.04 H new ATOM 135 N ILE A 10 5.905 1.428 -7.234 1.00 40.30 N ATOM 136 CA ILE A 10 6.928 0.400 -7.083 1.00 72.53 C ATOM 137 C ILE A 10 8.252 1.005 -6.631 1.00 23.42 C ATOM 138 O ILE A 10 8.812 1.872 -7.300 1.00 32.55 O ATOM 139 CB ILE A 10 7.150 -0.369 -8.399 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.826 -0.939 -8.913 1.00 12.50 C ATOM 141 CG2 ILE A 10 8.168 -1.482 -8.197 1.00 24.13 C ATOM 142 CD1 ILE A 10 5.124 -1.832 -7.914 1.00 50.10 C ATOM 0 H ILE A 10 5.556 1.540 -8.186 1.00 40.30 H new ATOM 0 HA ILE A 10 6.570 -0.293 -6.322 1.00 72.53 H new ATOM 0 HB ILE A 10 7.540 0.324 -9.145 1.00 11.12 H new ATOM 0 HG12 ILE A 10 5.164 -0.115 -9.179 1.00 12.50 H new ATOM 0 HG13 ILE A 10 6.013 -1.505 -9.825 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.314 -2.016 -9.136 1.00 24.13 H new ATOM 0 HG22 ILE A 10 9.116 -1.053 -7.872 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.804 -2.175 -7.438 1.00 24.13 H new ATOM 0 HD11 ILE A 10 4.193 -2.200 -8.346 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.767 -2.676 -7.666 1.00 50.10 H new ATOM 0 HD13 ILE A 10 4.905 -1.264 -7.010 1.00 50.10 H new ATOM 153 N GLY A 11 8.750 0.538 -5.490 1.00 3.24 N ATOM 154 CA GLY A 11 10.006 1.043 -4.967 1.00 50.44 C ATOM 155 C GLY A 11 9.811 1.987 -3.797 1.00 32.53 C ATOM 156 O GLY A 11 10.775 2.533 -3.265 1.00 22.21 O ATOM 0 H GLY A 11 8.306 -0.181 -4.919 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.628 0.205 -4.653 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.545 1.560 -5.761 1.00 50.44 H new ATOM 160 N GLU A 12 8.557 2.179 -3.397 1.00 11.04 N ATOM 161 CA GLU A 12 8.239 3.066 -2.284 1.00 72.23 C ATOM 162 C GLU A 12 8.252 2.305 -0.961 1.00 10.32 C ATOM 163 O GLU A 12 8.443 1.089 -0.933 1.00 45.23 O ATOM 164 CB GLU A 12 6.871 3.717 -2.496 1.00 14.51 C ATOM 165 CG GLU A 12 6.828 4.672 -3.678 1.00 22.04 C ATOM 166 CD GLU A 12 8.101 5.485 -3.817 1.00 61.32 C ATOM 167 OE1 GLU A 12 8.769 5.365 -4.865 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.429 6.240 -2.879 1.00 54.22 O ATOM 0 H GLU A 12 7.747 1.733 -3.827 1.00 11.04 H new ATOM 0 HA GLU A 12 9.001 3.844 -2.244 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.125 2.936 -2.643 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.591 4.258 -1.592 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.662 4.104 -4.593 1.00 22.04 H new ATOM 0 HG3 GLU A 12 5.980 5.348 -3.564 1.00 22.04 H new ATOM 173 N HIS A 13 8.049 3.031 0.134 1.00 34.15 N ATOM 174 CA HIS A 13 8.037 2.425 1.461 1.00 13.40 C ATOM 175 C HIS A 13 6.613 2.314 1.995 1.00 24.02 C ATOM 176 O HIS A 13 5.789 3.207 1.790 1.00 41.11 O ATOM 177 CB HIS A 13 8.893 3.246 2.426 1.00 24.43 C ATOM 178 CG HIS A 13 9.152 2.556 3.731 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.333 2.693 4.830 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.147 1.718 4.107 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.812 1.971 5.828 1.00 21.35 C ATOM 182 NE2 HIS A 13 9.912 1.370 5.414 1.00 4.21 N ATOM 0 H HIS A 13 7.891 4.039 0.129 1.00 34.15 H new ATOM 0 HA HIS A 13 8.454 1.421 1.379 1.00 13.40 H new ATOM 0 HB2 HIS A 13 9.846 3.474 1.949 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.397 4.197 2.619 1.00 24.43 H new ATOM 0 HD2 HIS A 13 10.971 1.386 3.493 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.378 1.887 6.813 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.494 0.747 5.975 1.00 4.21 H new ATOM 189 N CYS A 14 6.326 1.211 2.679 1.00 31.41 N ATOM 190 CA CYS A 14 5.001 0.982 3.241 1.00 10.24 C ATOM 191 C CYS A 14 5.025 -0.176 4.234 1.00 50.24 C ATOM 192 O CYS A 14 5.771 -1.141 4.063 1.00 1.54 O ATOM 193 CB CYS A 14 3.994 0.691 2.126 1.00 4.14 C ATOM 194 SG CYS A 14 4.569 -0.533 0.905 1.00 62.05 S ATOM 0 H CYS A 14 6.994 0.461 2.857 1.00 31.41 H new ATOM 0 HA CYS A 14 4.697 1.885 3.769 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.066 0.334 2.573 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.761 1.622 1.609 1.00 4.14 H new ATOM 198 N TYR A 15 4.203 -0.075 5.273 1.00 63.22 N ATOM 199 CA TYR A 15 4.131 -1.112 6.296 1.00 52.43 C ATOM 200 C TYR A 15 3.115 -2.184 5.913 1.00 65.00 C ATOM 201 O TYR A 15 3.287 -3.361 6.230 1.00 64.51 O ATOM 202 CB TYR A 15 3.759 -0.500 7.648 1.00 54.43 C ATOM 203 CG TYR A 15 4.785 0.480 8.171 1.00 71.20 C ATOM 204 CD1 TYR A 15 4.584 1.850 8.061 1.00 24.45 C ATOM 205 CD2 TYR A 15 5.955 0.035 8.774 1.00 52.01 C ATOM 206 CE1 TYR A 15 5.520 2.749 8.538 1.00 55.55 C ATOM 207 CE2 TYR A 15 6.895 0.927 9.255 1.00 75.04 C ATOM 208 CZ TYR A 15 6.672 2.282 9.134 1.00 34.32 C ATOM 209 OH TYR A 15 7.606 3.174 9.611 1.00 52.33 O ATOM 0 H TYR A 15 3.577 0.715 5.429 1.00 63.22 H new ATOM 0 HA TYR A 15 5.113 -1.579 6.375 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.798 0.007 7.556 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.629 -1.300 8.376 1.00 54.43 H new ATOM 0 HD1 TYR A 15 3.682 2.219 7.595 1.00 24.45 H new ATOM 0 HD2 TYR A 15 6.133 -1.026 8.869 1.00 52.01 H new ATOM 0 HE1 TYR A 15 5.350 3.811 8.444 1.00 55.55 H new ATOM 0 HE2 TYR A 15 7.799 0.565 9.723 1.00 75.04 H new ATOM 0 HH TYR A 15 8.358 2.682 10.002 1.00 52.33 H new ATOM 218 N VAL A 16 2.054 -1.767 5.228 1.00 5.31 N ATOM 219 CA VAL A 16 1.010 -2.690 4.800 1.00 50.32 C ATOM 220 C VAL A 16 0.619 -2.442 3.347 1.00 14.41 C ATOM 221 O VAL A 16 1.111 -1.509 2.712 1.00 52.01 O ATOM 222 CB VAL A 16 -0.244 -2.568 5.685 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.016 -3.158 7.064 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.681 -1.116 5.792 1.00 52.25 C ATOM 0 H VAL A 16 1.895 -0.796 4.958 1.00 5.31 H new ATOM 0 HA VAL A 16 1.418 -3.696 4.897 1.00 50.32 H new ATOM 0 HB VAL A 16 -1.052 -3.133 5.220 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.881 -3.063 7.676 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.278 -4.211 6.966 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.838 -2.623 7.540 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.569 -1.049 6.421 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.122 -0.526 6.233 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.910 -0.731 4.798 1.00 52.25 H new ATOM 234 N ALA A 17 -0.268 -3.283 2.827 1.00 54.22 N ATOM 235 CA ALA A 17 -0.728 -3.153 1.450 1.00 71.23 C ATOM 236 C ALA A 17 -1.583 -1.904 1.271 1.00 11.43 C ATOM 237 O ALA A 17 -1.443 -1.180 0.285 1.00 13.55 O ATOM 238 CB ALA A 17 -1.508 -4.393 1.035 1.00 54.11 C ATOM 0 H ALA A 17 -0.683 -4.062 3.338 1.00 54.22 H new ATOM 0 HA ALA A 17 0.148 -3.056 0.809 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.846 -4.282 0.005 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.866 -5.270 1.114 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.372 -4.515 1.689 1.00 54.11 H new ATOM 244 N ASP A 18 -2.468 -1.656 2.230 1.00 11.15 N ATOM 245 CA ASP A 18 -3.347 -0.493 2.179 1.00 13.30 C ATOM 246 C ASP A 18 -2.538 0.791 2.021 1.00 11.20 C ATOM 247 O ASP A 18 -2.981 1.738 1.372 1.00 54.21 O ATOM 248 CB ASP A 18 -4.203 -0.419 3.444 1.00 72.23 C ATOM 249 CG ASP A 18 -4.975 0.882 3.545 1.00 15.13 C ATOM 250 OD1 ASP A 18 -5.550 1.312 2.522 1.00 43.33 O ATOM 251 OD2 ASP A 18 -5.004 1.471 4.645 1.00 72.10 O ATOM 0 H ASP A 18 -2.596 -2.245 3.053 1.00 11.15 H new ATOM 0 HA ASP A 18 -4.001 -0.599 1.313 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -4.902 -1.255 3.455 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -3.563 -0.527 4.319 1.00 72.23 H new ATOM 255 N GLU A 19 -1.351 0.815 2.620 1.00 44.21 N ATOM 256 CA GLU A 19 -0.483 1.984 2.545 1.00 70.24 C ATOM 257 C GLU A 19 -0.084 2.275 1.102 1.00 54.23 C ATOM 258 O GLU A 19 0.118 3.429 0.722 1.00 72.44 O ATOM 259 CB GLU A 19 0.769 1.772 3.400 1.00 3.45 C ATOM 260 CG GLU A 19 0.539 2.000 4.884 1.00 23.14 C ATOM 261 CD GLU A 19 0.576 3.468 5.262 1.00 31.23 C ATOM 262 OE1 GLU A 19 1.631 3.929 5.745 1.00 34.31 O ATOM 263 OE2 GLU A 19 -0.449 4.156 5.074 1.00 21.53 O ATOM 0 H GLU A 19 -0.969 0.039 3.162 1.00 44.21 H new ATOM 0 HA GLU A 19 -1.036 2.841 2.929 1.00 70.24 H new ATOM 0 HB2 GLU A 19 1.134 0.756 3.249 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.553 2.446 3.055 1.00 3.45 H new ATOM 0 HG2 GLU A 19 -0.426 1.580 5.167 1.00 23.14 H new ATOM 0 HG3 GLU A 19 1.299 1.463 5.452 1.00 23.14 H new ATOM 268 N CYS A 20 0.029 1.221 0.301 1.00 12.33 N ATOM 269 CA CYS A 20 0.406 1.361 -1.100 1.00 35.21 C ATOM 270 C CYS A 20 -0.831 1.514 -1.982 1.00 41.05 C ATOM 271 O CYS A 20 -1.755 0.702 -1.923 1.00 32.13 O ATOM 272 CB CYS A 20 1.221 0.149 -1.554 1.00 53.00 C ATOM 273 SG CYS A 20 2.928 0.547 -2.052 1.00 4.22 S ATOM 0 H CYS A 20 -0.135 0.259 0.599 1.00 12.33 H new ATOM 0 HA CYS A 20 1.016 2.259 -1.199 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.250 -0.580 -0.744 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.711 -0.326 -2.392 1.00 53.00 H new ATOM 277 N CYS A 21 -0.841 2.562 -2.800 1.00 12.50 N ATOM 278 CA CYS A 21 -1.962 2.824 -3.694 1.00 4.44 C ATOM 279 C CYS A 21 -2.174 1.658 -4.657 1.00 32.03 C ATOM 280 O CYS A 21 -3.293 1.402 -5.102 1.00 13.43 O ATOM 281 CB CYS A 21 -1.722 4.113 -4.483 1.00 22.10 C ATOM 282 SG CYS A 21 -2.917 5.438 -4.121 1.00 13.22 S ATOM 0 H CYS A 21 -0.085 3.244 -2.862 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.860 2.939 -3.086 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.717 4.476 -4.268 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.758 3.886 -5.549 1.00 22.10 H new ATOM 286 N SER A 22 -1.091 0.954 -4.973 1.00 34.32 N ATOM 287 CA SER A 22 -1.156 -0.182 -5.884 1.00 4.02 C ATOM 288 C SER A 22 -1.569 -1.451 -5.142 1.00 60.11 C ATOM 289 O SER A 22 -1.971 -2.439 -5.756 1.00 73.30 O ATOM 290 CB SER A 22 0.195 -0.394 -6.567 1.00 64.11 C ATOM 291 OG SER A 22 0.028 -0.817 -7.910 1.00 30.25 O ATOM 0 H SER A 22 -0.158 1.151 -4.611 1.00 34.32 H new ATOM 0 HA SER A 22 -1.908 0.036 -6.643 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.767 0.533 -6.543 1.00 64.11 H new ATOM 0 HB3 SER A 22 0.771 -1.138 -6.017 1.00 64.11 H new ATOM 0 HG SER A 22 0.907 -0.944 -8.325 1.00 30.25 H new ATOM 296 N LYS A 23 -1.466 -1.413 -3.819 1.00 41.13 N ATOM 297 CA LYS A 23 -1.828 -2.558 -2.990 1.00 41.04 C ATOM 298 C LYS A 23 -0.906 -3.742 -3.265 1.00 44.22 C ATOM 299 O LYS A 23 -1.365 -4.875 -3.417 1.00 31.24 O ATOM 300 CB LYS A 23 -3.282 -2.959 -3.247 1.00 71.41 C ATOM 301 CG LYS A 23 -4.259 -1.799 -3.150 1.00 25.51 C ATOM 302 CD LYS A 23 -5.183 -1.947 -1.953 1.00 62.54 C ATOM 303 CE LYS A 23 -6.295 -0.909 -1.976 1.00 63.21 C ATOM 304 NZ LYS A 23 -6.659 -0.458 -0.605 1.00 71.15 N ATOM 0 H LYS A 23 -1.135 -0.602 -3.296 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.716 -2.269 -1.945 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.357 -3.405 -4.239 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.571 -3.727 -2.530 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.707 -0.863 -3.071 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.851 -1.744 -4.063 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.617 -2.947 -1.948 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.608 -1.845 -1.033 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -5.979 -0.051 -2.569 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -7.174 -1.329 -2.466 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -7.420 0.249 -0.663 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -6.985 -1.273 -0.047 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -5.827 -0.035 -0.147 1.00 71.15 H new ATOM 314 N ARG A 24 0.394 -3.473 -3.328 1.00 21.34 N ATOM 315 CA ARG A 24 1.378 -4.517 -3.584 1.00 21.41 C ATOM 316 C ARG A 24 2.492 -4.482 -2.542 1.00 0.40 C ATOM 317 O ARG A 24 3.645 -4.797 -2.838 1.00 5.40 O ATOM 318 CB ARG A 24 1.971 -4.355 -4.985 1.00 31.31 C ATOM 319 CG ARG A 24 1.390 -5.317 -6.008 1.00 1.11 C ATOM 320 CD ARG A 24 1.675 -6.764 -5.637 1.00 22.03 C ATOM 321 NE ARG A 24 0.529 -7.399 -4.991 1.00 72.42 N ATOM 322 CZ ARG A 24 0.358 -8.716 -4.929 1.00 51.15 C ATOM 323 NH1 ARG A 24 1.253 -9.530 -5.469 1.00 0.15 N ATOM 324 NH2 ARG A 24 -0.711 -9.218 -4.324 1.00 2.41 N ATOM 0 H ARG A 24 0.790 -2.541 -3.205 1.00 21.34 H new ATOM 0 HA ARG A 24 0.873 -5.481 -3.519 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.804 -3.333 -5.325 1.00 31.31 H new ATOM 0 HB3 ARG A 24 3.050 -4.502 -4.933 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.313 -5.165 -6.082 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.810 -5.103 -6.991 1.00 1.11 H new ATOM 0 HD2 ARG A 24 1.941 -7.323 -6.534 1.00 22.03 H new ATOM 0 HD3 ARG A 24 2.536 -6.804 -4.970 1.00 22.03 H new ATOM 0 HE ARG A 24 -0.178 -6.800 -4.565 1.00 72.42 H new ATOM 0 HH11 ARG A 24 2.076 -9.147 -5.934 1.00 0.15 H new ATOM 0 HH12 ARG A 24 1.119 -10.540 -5.420 1.00 0.15 H new ATOM 0 HH21 ARG A 24 -1.401 -8.594 -3.907 1.00 2.41 H new ATOM 0 HH22 ARG A 24 -0.843 -10.228 -4.276 1.00 2.41 H new ATOM 335 N CYS A 25 2.139 -4.096 -1.320 1.00 43.43 N ATOM 336 CA CYS A 25 3.108 -4.018 -0.233 1.00 42.23 C ATOM 337 C CYS A 25 3.223 -5.358 0.489 1.00 34.23 C ATOM 338 O CYS A 25 2.269 -6.134 0.538 1.00 13.14 O ATOM 339 CB CYS A 25 2.706 -2.925 0.758 1.00 20.11 C ATOM 340 SG CYS A 25 4.096 -2.247 1.722 1.00 35.53 S ATOM 0 H CYS A 25 1.189 -3.832 -1.058 1.00 43.43 H new ATOM 0 HA CYS A 25 4.079 -3.771 -0.661 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.226 -2.113 0.212 1.00 20.11 H new ATOM 0 HB3 CYS A 25 1.963 -3.329 1.446 1.00 20.11 H new ATOM 344 N LEU A 26 4.399 -5.622 1.049 1.00 72.20 N ATOM 345 CA LEU A 26 4.641 -6.867 1.769 1.00 55.12 C ATOM 346 C LEU A 26 5.313 -6.597 3.112 1.00 43.12 C ATOM 347 O LEU A 26 6.043 -5.617 3.267 1.00 44.04 O ATOM 348 CB LEU A 26 5.509 -7.804 0.930 1.00 32.20 C ATOM 349 CG LEU A 26 5.596 -9.252 1.414 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.362 -10.032 0.989 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.857 -9.918 0.883 1.00 33.40 C ATOM 0 H LEU A 26 5.199 -4.990 1.018 1.00 72.20 H new ATOM 0 HA LEU A 26 3.679 -7.344 1.955 1.00 55.12 H new ATOM 0 HB2 LEU A 26 5.126 -7.806 -0.090 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.518 -7.394 0.891 1.00 32.20 H new ATOM 0 HG LEU A 26 5.642 -9.248 2.503 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.442 -11.060 1.342 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.473 -9.569 1.418 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.285 -10.027 -0.098 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.902 -10.948 1.238 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.841 -9.910 -0.207 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.733 -9.374 1.237 1.00 33.40 H new ATOM 362 N PHE A 27 5.065 -7.474 4.079 1.00 74.42 N ATOM 363 CA PHE A 27 5.648 -7.333 5.408 1.00 12.34 C ATOM 364 C PHE A 27 7.162 -7.526 5.362 1.00 21.32 C ATOM 365 O PHE A 27 7.897 -6.945 6.161 1.00 65.24 O ATOM 366 CB PHE A 27 5.023 -8.342 6.373 1.00 52.45 C ATOM 367 CG PHE A 27 3.690 -7.909 6.912 1.00 34.22 C ATOM 368 CD1 PHE A 27 3.492 -7.771 8.277 1.00 21.20 C ATOM 369 CD2 PHE A 27 2.635 -7.642 6.056 1.00 13.42 C ATOM 370 CE1 PHE A 27 2.267 -7.373 8.777 1.00 44.41 C ATOM 371 CE2 PHE A 27 1.407 -7.243 6.550 1.00 22.04 C ATOM 372 CZ PHE A 27 1.223 -7.109 7.912 1.00 55.32 C ATOM 0 H PHE A 27 4.464 -8.290 3.967 1.00 74.42 H new ATOM 0 HA PHE A 27 5.439 -6.324 5.763 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.906 -9.298 5.862 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.706 -8.508 7.206 1.00 52.45 H new ATOM 0 HD1 PHE A 27 4.305 -7.977 8.958 1.00 21.20 H new ATOM 0 HD2 PHE A 27 2.773 -7.747 4.990 1.00 13.42 H new ATOM 0 HE1 PHE A 27 2.126 -7.268 9.843 1.00 44.41 H new ATOM 0 HE2 PHE A 27 0.593 -7.036 5.871 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.264 -6.798 8.300 1.00 55.32 H new ATOM 381 N TYR A 28 7.619 -8.344 4.421 1.00 24.15 N ATOM 382 CA TYR A 28 9.043 -8.617 4.272 1.00 42.22 C ATOM 383 C TYR A 28 9.708 -7.571 3.382 1.00 64.32 C ATOM 384 O TYR A 28 10.731 -6.992 3.745 1.00 52.42 O ATOM 385 CB TYR A 28 9.258 -10.013 3.684 1.00 43.05 C ATOM 386 CG TYR A 28 8.780 -11.129 4.585 1.00 43.42 C ATOM 387 CD1 TYR A 28 9.606 -11.656 5.570 1.00 4.24 C ATOM 388 CD2 TYR A 28 7.503 -11.659 4.449 1.00 65.43 C ATOM 389 CE1 TYR A 28 9.174 -12.676 6.395 1.00 31.12 C ATOM 390 CE2 TYR A 28 7.062 -12.678 5.271 1.00 14.24 C ATOM 391 CZ TYR A 28 7.901 -13.184 6.241 1.00 71.23 C ATOM 392 OH TYR A 28 7.466 -14.200 7.061 1.00 4.41 O ATOM 0 H TYR A 28 7.024 -8.830 3.750 1.00 24.15 H new ATOM 0 HA TYR A 28 9.501 -8.572 5.260 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.737 -10.080 2.729 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.319 -10.152 3.479 1.00 43.05 H new ATOM 0 HD1 TYR A 28 10.604 -11.261 5.693 1.00 4.24 H new ATOM 0 HD2 TYR A 28 6.844 -11.268 3.688 1.00 65.43 H new ATOM 0 HE1 TYR A 28 9.829 -13.073 7.156 1.00 31.12 H new ATOM 0 HE2 TYR A 28 6.065 -13.076 5.154 1.00 14.24 H new ATOM 0 HH TYR A 28 6.547 -14.442 6.822 1.00 4.41 H new ATOM 401 N ALA A 29 9.117 -7.333 2.215 1.00 61.12 N ATOM 402 CA ALA A 29 9.649 -6.356 1.274 1.00 21.34 C ATOM 403 C ALA A 29 9.511 -4.938 1.820 1.00 24.31 C ATOM 404 O ALA A 29 10.416 -4.117 1.676 1.00 43.14 O ATOM 405 CB ALA A 29 8.943 -6.478 -0.068 1.00 2.14 C ATOM 0 H ALA A 29 8.269 -7.804 1.899 1.00 61.12 H new ATOM 0 HA ALA A 29 10.710 -6.562 1.134 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.350 -5.742 -0.762 1.00 2.14 H new ATOM 0 HB2 ALA A 29 9.096 -7.479 -0.470 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.876 -6.300 0.065 1.00 2.14 H new ATOM 411 N ALA A 30 8.374 -4.658 2.446 1.00 71.15 N ATOM 412 CA ALA A 30 8.119 -3.340 3.014 1.00 3.03 C ATOM 413 C ALA A 30 8.108 -2.268 1.930 1.00 12.05 C ATOM 414 O ALA A 30 8.100 -1.073 2.224 1.00 32.52 O ATOM 415 CB ALA A 30 9.160 -3.012 4.074 1.00 72.24 C ATOM 0 H ALA A 30 7.614 -5.326 2.573 1.00 71.15 H new ATOM 0 HA ALA A 30 7.134 -3.357 3.481 1.00 3.03 H new ATOM 0 HB1 ALA A 30 8.957 -2.025 4.490 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.117 -3.756 4.869 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.153 -3.019 3.624 1.00 72.24 H new ATOM 421 N LYS A 31 8.110 -2.703 0.674 1.00 34.24 N ATOM 422 CA LYS A 31 8.101 -1.781 -0.456 1.00 22.22 C ATOM 423 C LYS A 31 7.219 -2.309 -1.582 1.00 22.40 C ATOM 424 O LYS A 31 7.217 -3.505 -1.875 1.00 1.32 O ATOM 425 CB LYS A 31 9.525 -1.558 -0.970 1.00 4.22 C ATOM 426 CG LYS A 31 9.581 -1.037 -2.396 1.00 12.42 C ATOM 427 CD LYS A 31 9.722 -2.170 -3.399 1.00 61.02 C ATOM 428 CE LYS A 31 11.160 -2.658 -3.489 1.00 62.44 C ATOM 429 NZ LYS A 31 11.257 -4.134 -3.316 1.00 3.33 N ATOM 0 H LYS A 31 8.118 -3.689 0.413 1.00 34.24 H new ATOM 0 HA LYS A 31 7.692 -0.830 -0.114 1.00 22.22 H new ATOM 0 HB2 LYS A 31 10.033 -0.852 -0.314 1.00 4.22 H new ATOM 0 HB3 LYS A 31 10.074 -2.498 -0.913 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.676 -0.469 -2.612 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.421 -0.351 -2.501 1.00 12.42 H new ATOM 0 HD2 LYS A 31 9.073 -2.997 -3.109 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.389 -1.832 -4.380 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.579 -2.377 -4.455 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.760 -2.163 -2.726 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.173 -4.374 -2.885 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 10.488 -4.462 -2.698 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 11.178 -4.598 -4.243 1.00 3.33 H new ATOM 439 N CYS A 32 6.469 -1.410 -2.211 1.00 14.43 N ATOM 440 CA CYS A 32 5.583 -1.785 -3.306 1.00 55.04 C ATOM 441 C CYS A 32 6.336 -2.581 -4.368 1.00 42.15 C ATOM 442 O CYS A 32 7.222 -2.055 -5.041 1.00 65.14 O ATOM 443 CB CYS A 32 4.960 -0.538 -3.936 1.00 44.43 C ATOM 444 SG CYS A 32 3.148 -0.445 -3.765 1.00 21.24 S ATOM 0 H CYS A 32 6.457 -0.416 -1.981 1.00 14.43 H new ATOM 0 HA CYS A 32 4.791 -2.414 -2.899 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.403 0.347 -3.479 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.216 -0.512 -4.995 1.00 44.43 H new ATOM 448 N VAL A 33 5.977 -3.852 -4.512 1.00 0.54 N ATOM 449 CA VAL A 33 6.617 -4.722 -5.493 1.00 35.11 C ATOM 450 C VAL A 33 5.619 -5.192 -6.545 1.00 1.55 C ATOM 451 O VAL A 33 4.515 -5.626 -6.218 1.00 55.23 O ATOM 452 CB VAL A 33 7.255 -5.951 -4.820 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.611 -5.594 -4.229 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.330 -6.514 -3.752 1.00 3.21 C ATOM 0 H VAL A 33 5.246 -4.303 -3.962 1.00 0.54 H new ATOM 0 HA VAL A 33 7.398 -4.135 -5.976 1.00 35.11 H new ATOM 0 HB VAL A 33 7.407 -6.720 -5.578 1.00 31.33 H new ATOM 0 HG11 VAL A 33 9.046 -6.475 -3.758 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.272 -5.242 -5.021 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.488 -4.808 -3.484 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.797 -7.382 -3.287 1.00 3.21 H new ATOM 0 HG22 VAL A 33 6.143 -5.753 -2.994 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.386 -6.811 -4.208 1.00 3.21 H new ATOM 464 N SER A 34 6.016 -5.102 -7.811 1.00 34.41 N ATOM 465 CA SER A 34 5.155 -5.516 -8.912 1.00 1.31 C ATOM 466 C SER A 34 4.667 -6.948 -8.713 1.00 14.03 C ATOM 467 O SER A 34 5.466 -7.868 -8.550 1.00 14.13 O ATOM 468 CB SER A 34 5.902 -5.400 -10.242 1.00 75.31 C ATOM 469 OG SER A 34 5.303 -6.213 -11.236 1.00 52.24 O ATOM 0 H SER A 34 6.928 -4.746 -8.099 1.00 34.41 H new ATOM 0 HA SER A 34 4.288 -4.855 -8.931 1.00 1.31 H new ATOM 0 HB2 SER A 34 5.906 -4.361 -10.571 1.00 75.31 H new ATOM 0 HB3 SER A 34 6.942 -5.695 -10.105 1.00 75.31 H new ATOM 0 HG SER A 34 5.798 -6.120 -12.077 1.00 52.24 H new TER 474 SER A 34