USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 245 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 Set 1.1: A 22 SER OG : rot 160:sc= -0.139 USER MOD Set 1.2: A 25 HIS : no HE2:sc= 0.206 K(o=0.067,f=-0.9) USER MOD Single : A 1 GLU N :NH3+ -156:sc= 0.00823 (180deg=0) 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 13 GLN :FLIP amide:sc= -0.157 F(o=-1.9,f=-0.16) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc=-0.00162 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.028 -0.036 -0.028 1.00 61.22 N ATOM 2 CA GLU A 1 2.108 0.167 -0.986 1.00 64.53 C ATOM 3 C GLU A 1 1.890 1.446 -1.790 1.00 24.54 C ATOM 4 O GLU A 1 0.896 2.148 -1.603 1.00 23.24 O ATOM 5 CB GLU A 1 2.212 -1.031 -1.932 1.00 63.55 C ATOM 6 CG GLU A 1 3.539 -1.766 -1.841 1.00 44.23 C ATOM 7 CD GLU A 1 4.456 -1.462 -3.011 1.00 11.35 C ATOM 8 OE1 GLU A 1 4.643 -0.268 -3.324 1.00 11.54 O ATOM 9 OE2 GLU A 1 4.986 -2.419 -3.612 1.00 64.02 O ATOM 0 H1 GLU A 1 1.365 -0.633 0.754 1.00 61.22 H new ATOM 0 H2 GLU A 1 0.719 0.884 0.347 1.00 61.22 H new ATOM 0 H3 GLU A 1 0.228 -0.503 -0.501 1.00 61.22 H new ATOM 0 HA GLU A 1 3.040 0.263 -0.429 1.00 64.53 H new ATOM 0 HB2 GLU A 1 1.404 -1.729 -1.711 1.00 63.55 H new ATOM 0 HB3 GLU A 1 2.066 -0.688 -2.956 1.00 63.55 H new ATOM 0 HG2 GLU A 1 4.039 -1.492 -0.912 1.00 44.23 H new ATOM 0 HG3 GLU A 1 3.353 -2.839 -1.799 1.00 44.23 H new ATOM 16 N CYS A 2 2.827 1.742 -2.684 1.00 41.31 N ATOM 17 CA CYS A 2 2.740 2.936 -3.516 1.00 10.31 C ATOM 18 C CYS A 2 1.739 2.737 -4.650 1.00 50.14 C ATOM 19 O CYS A 2 1.552 1.622 -5.138 1.00 41.44 O ATOM 20 CB CYS A 2 4.115 3.285 -4.090 1.00 12.14 C ATOM 21 SG CYS A 2 4.685 2.150 -5.395 1.00 44.12 S ATOM 0 H CYS A 2 3.656 1.171 -2.851 1.00 41.31 H new ATOM 0 HA CYS A 2 2.395 3.760 -2.891 1.00 10.31 H new ATOM 0 HB2 CYS A 2 4.083 4.297 -4.492 1.00 12.14 H new ATOM 0 HB3 CYS A 2 4.845 3.287 -3.281 1.00 12.14 H new ATOM 26 N ARG A 3 1.099 3.825 -5.065 1.00 15.42 N ATOM 27 CA ARG A 3 0.116 3.771 -6.141 1.00 22.43 C ATOM 28 C ARG A 3 0.741 4.188 -7.469 1.00 14.01 C ATOM 29 O ARG A 3 1.760 4.878 -7.498 1.00 11.14 O ATOM 30 CB ARG A 3 -1.075 4.674 -5.819 1.00 13.44 C ATOM 31 CG ARG A 3 -1.729 4.367 -4.481 1.00 73.35 C ATOM 32 CD ARG A 3 -3.188 3.971 -4.652 1.00 44.15 C ATOM 33 NE ARG A 3 -3.335 2.754 -5.446 1.00 51.02 N ATOM 34 CZ ARG A 3 -4.510 2.231 -5.778 1.00 32.34 C ATOM 35 NH1 ARG A 3 -5.634 2.815 -5.386 1.00 50.44 N ATOM 36 NH2 ARG A 3 -4.563 1.121 -6.502 1.00 64.55 N ATOM 0 H ARG A 3 1.243 4.755 -4.672 1.00 15.42 H new ATOM 0 HA ARG A 3 -0.232 2.742 -6.230 1.00 22.43 H new ATOM 0 HB2 ARG A 3 -0.744 5.712 -5.822 1.00 13.44 H new ATOM 0 HB3 ARG A 3 -1.819 4.574 -6.609 1.00 13.44 H new ATOM 0 HG2 ARG A 3 -1.187 3.561 -3.987 1.00 73.35 H new ATOM 0 HG3 ARG A 3 -1.661 5.241 -3.833 1.00 73.35 H new ATOM 0 HD2 ARG A 3 -3.640 3.821 -3.672 1.00 44.15 H new ATOM 0 HD3 ARG A 3 -3.731 4.785 -5.132 1.00 44.15 H new ATOM 0 HE ARG A 3 -2.489 2.280 -5.763 1.00 51.02 H new ATOM 0 HH11 ARG A 3 -5.598 3.668 -4.828 1.00 50.44 H new ATOM 0 HH12 ARG A 3 -6.535 2.411 -5.642 1.00 50.44 H new ATOM 0 HH21 ARG A 3 -3.701 0.668 -6.805 1.00 64.55 H new ATOM 0 HH22 ARG A 3 -5.466 0.721 -6.756 1.00 64.55 H new ATOM 50 N TYR A 4 0.123 3.765 -8.566 1.00 31.41 N ATOM 51 CA TYR A 4 0.619 4.092 -9.897 1.00 65.32 C ATOM 52 C TYR A 4 -0.183 5.234 -10.513 1.00 34.32 C ATOM 53 O TYR A 4 -1.025 5.842 -9.852 1.00 2.33 O ATOM 54 CB TYR A 4 0.556 2.862 -10.804 1.00 60.15 C ATOM 55 CG TYR A 4 -0.834 2.282 -10.942 1.00 44.13 C ATOM 56 CD1 TYR A 4 -1.298 1.322 -10.053 1.00 35.52 C ATOM 57 CD2 TYR A 4 -1.682 2.696 -11.962 1.00 11.00 C ATOM 58 CE1 TYR A 4 -2.567 0.789 -10.176 1.00 30.34 C ATOM 59 CE2 TYR A 4 -2.953 2.170 -12.092 1.00 22.35 C ATOM 60 CZ TYR A 4 -3.390 1.216 -11.196 1.00 55.03 C ATOM 61 OH TYR A 4 -4.655 0.689 -11.321 1.00 74.32 O ATOM 0 H TYR A 4 -0.723 3.195 -8.560 1.00 31.41 H new ATOM 0 HA TYR A 4 1.657 4.412 -9.801 1.00 65.32 H new ATOM 0 HB2 TYR A 4 0.928 3.130 -11.793 1.00 60.15 H new ATOM 0 HB3 TYR A 4 1.223 2.095 -10.409 1.00 60.15 H new ATOM 0 HD1 TYR A 4 -0.656 0.986 -9.252 1.00 35.52 H new ATOM 0 HD2 TYR A 4 -1.342 3.442 -12.665 1.00 11.00 H new ATOM 0 HE1 TYR A 4 -2.912 0.042 -9.477 1.00 30.34 H new ATOM 0 HE2 TYR A 4 -3.600 2.503 -12.890 1.00 22.35 H new ATOM 0 HH TYR A 4 -5.105 1.097 -12.090 1.00 74.32 H new ATOM 71 N TRP A 5 0.083 5.518 -11.782 1.00 72.44 N ATOM 72 CA TRP A 5 -0.615 6.586 -12.489 1.00 62.00 C ATOM 73 C TRP A 5 -2.125 6.450 -12.328 1.00 22.22 C ATOM 74 O TRP A 5 -2.678 5.358 -12.469 1.00 13.52 O ATOM 75 CB TRP A 5 -0.244 6.571 -13.973 1.00 34.40 C ATOM 76 CG TRP A 5 -0.515 7.871 -14.666 1.00 52.53 C ATOM 77 CD1 TRP A 5 -0.165 9.119 -14.234 1.00 74.12 C ATOM 78 CD2 TRP A 5 -1.195 8.053 -15.913 1.00 64.45 C ATOM 79 NE1 TRP A 5 -0.586 10.065 -15.138 1.00 34.43 N ATOM 80 CE2 TRP A 5 -1.220 9.436 -16.177 1.00 43.21 C ATOM 81 CE3 TRP A 5 -1.782 7.181 -16.834 1.00 73.01 C ATOM 82 CZ2 TRP A 5 -1.810 9.965 -17.322 1.00 34.03 C ATOM 83 CZ3 TRP A 5 -2.368 7.707 -17.969 1.00 54.44 C ATOM 84 CH2 TRP A 5 -2.378 9.088 -18.206 1.00 13.52 C ATOM 0 H TRP A 5 0.777 5.024 -12.343 1.00 72.44 H new ATOM 0 HA TRP A 5 -0.307 7.537 -12.054 1.00 62.00 H new ATOM 0 HB2 TRP A 5 0.814 6.328 -14.073 1.00 34.40 H new ATOM 0 HB3 TRP A 5 -0.802 5.778 -14.472 1.00 34.40 H new ATOM 0 HD1 TRP A 5 0.365 9.331 -13.317 1.00 74.12 H new ATOM 0 HE1 TRP A 5 -0.449 11.072 -15.050 1.00 34.43 H new ATOM 0 HE3 TRP A 5 -1.778 6.115 -16.661 1.00 73.01 H new ATOM 0 HZ2 TRP A 5 -1.819 11.029 -17.506 1.00 34.03 H new ATOM 0 HZ3 TRP A 5 -2.826 7.042 -18.686 1.00 54.44 H new ATOM 0 HH2 TRP A 5 -2.843 9.468 -19.104 1.00 13.52 H new ATOM 95 N LEU A 6 -2.787 7.563 -12.032 1.00 44.00 N ATOM 96 CA LEU A 6 -4.234 7.568 -11.852 1.00 32.41 C ATOM 97 C LEU A 6 -4.652 6.571 -10.775 1.00 51.13 C ATOM 98 O LEU A 6 -5.782 6.084 -10.770 1.00 40.44 O ATOM 99 CB LEU A 6 -4.933 7.234 -13.171 1.00 31.40 C ATOM 100 CG LEU A 6 -4.380 7.925 -14.418 1.00 24.24 C ATOM 101 CD1 LEU A 6 -5.289 7.679 -15.612 1.00 4.41 C ATOM 102 CD2 LEU A 6 -4.212 9.417 -14.170 1.00 71.11 C ATOM 0 H LEU A 6 -2.344 8.474 -11.912 1.00 44.00 H new ATOM 0 HA LEU A 6 -4.532 8.567 -11.533 1.00 32.41 H new ATOM 0 HB2 LEU A 6 -4.880 6.156 -13.324 1.00 31.40 H new ATOM 0 HB3 LEU A 6 -5.988 7.491 -13.075 1.00 31.40 H new ATOM 0 HG LEU A 6 -3.401 7.502 -14.641 1.00 24.24 H new ATOM 0 HD11 LEU A 6 -4.879 8.178 -16.490 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -5.358 6.608 -15.803 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -6.283 8.074 -15.400 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -3.818 9.893 -15.068 1.00 71.11 H new ATOM 0 HD22 LEU A 6 -5.178 9.856 -13.922 1.00 71.11 H new ATOM 0 HD23 LEU A 6 -3.520 9.573 -13.343 1.00 71.11 H new ATOM 114 N GLY A 7 -3.732 6.274 -9.862 1.00 74.52 N ATOM 115 CA GLY A 7 -4.025 5.338 -8.792 1.00 12.42 C ATOM 116 C GLY A 7 -4.979 5.914 -7.764 1.00 74.21 C ATOM 117 O GLY A 7 -5.877 5.222 -7.284 1.00 44.41 O ATOM 0 H GLY A 7 -2.790 6.664 -9.844 1.00 74.52 H new ATOM 0 HA2 GLY A 7 -4.456 4.430 -9.215 1.00 12.42 H new ATOM 0 HA3 GLY A 7 -3.096 5.050 -8.300 1.00 12.42 H new ATOM 121 N GLY A 8 -4.785 7.184 -7.424 1.00 3.33 N ATOM 122 CA GLY A 8 -5.642 7.830 -6.447 1.00 4.31 C ATOM 123 C GLY A 8 -4.977 7.965 -5.091 1.00 61.52 C ATOM 124 O GLY A 8 -5.178 7.131 -4.207 1.00 54.23 O ATOM 0 H GLY A 8 -4.049 7.778 -7.808 1.00 3.33 H new ATOM 0 HA2 GLY A 8 -5.922 8.819 -6.811 1.00 4.31 H new ATOM 0 HA3 GLY A 8 -6.563 7.257 -6.341 1.00 4.31 H new ATOM 128 N CYS A 9 -4.181 9.015 -4.926 1.00 4.31 N ATOM 129 CA CYS A 9 -3.482 9.256 -3.669 1.00 65.53 C ATOM 130 C CYS A 9 -4.422 9.860 -2.631 1.00 20.24 C ATOM 131 O CYS A 9 -5.631 9.944 -2.847 1.00 22.01 O ATOM 132 CB CYS A 9 -2.288 10.186 -3.895 1.00 70.32 C ATOM 133 SG CYS A 9 -2.749 11.900 -4.305 1.00 5.02 S ATOM 0 H CYS A 9 -4.003 9.714 -5.648 1.00 4.31 H new ATOM 0 HA CYS A 9 -3.122 8.298 -3.293 1.00 65.53 H new ATOM 0 HB2 CYS A 9 -1.670 10.192 -2.997 1.00 70.32 H new ATOM 0 HB3 CYS A 9 -1.675 9.783 -4.701 1.00 70.32 H new ATOM 138 N SER A 10 -3.858 10.279 -1.503 1.00 3.34 N ATOM 139 CA SER A 10 -4.645 10.873 -0.428 1.00 75.35 C ATOM 140 C SER A 10 -3.770 11.736 0.475 1.00 64.42 C ATOM 141 O SER A 10 -2.615 12.016 0.154 1.00 51.20 O ATOM 142 CB SER A 10 -5.327 9.779 0.397 1.00 52.45 C ATOM 143 OG SER A 10 -6.614 10.191 0.825 1.00 41.05 O ATOM 0 H SER A 10 -2.858 10.218 -1.309 1.00 3.34 H new ATOM 0 HA SER A 10 -5.408 11.508 -0.878 1.00 75.35 H new ATOM 0 HB2 SER A 10 -5.412 8.870 -0.198 1.00 52.45 H new ATOM 0 HB3 SER A 10 -4.712 9.536 1.264 1.00 52.45 H new ATOM 0 HG SER A 10 -7.030 9.474 1.348 1.00 41.05 H new ATOM 149 N ALA A 11 -4.328 12.153 1.606 1.00 0.21 N ATOM 150 CA ALA A 11 -3.598 12.982 2.558 1.00 55.35 C ATOM 151 C ALA A 11 -2.544 12.168 3.299 1.00 3.32 C ATOM 152 O ALA A 11 -1.571 12.717 3.815 1.00 13.43 O ATOM 153 CB ALA A 11 -4.562 13.626 3.544 1.00 23.52 C ATOM 0 H ALA A 11 -5.283 11.931 1.886 1.00 0.21 H new ATOM 0 HA ALA A 11 -3.087 13.767 2.002 1.00 55.35 H new ATOM 0 HB1 ALA A 11 -4.004 14.242 4.249 1.00 23.52 H new ATOM 0 HB2 ALA A 11 -5.274 14.249 3.003 1.00 23.52 H new ATOM 0 HB3 ALA A 11 -5.099 12.849 4.088 1.00 23.52 H new ATOM 159 N GLY A 12 -2.743 10.855 3.349 1.00 35.42 N ATOM 160 CA GLY A 12 -1.801 9.986 4.031 1.00 15.40 C ATOM 161 C GLY A 12 -1.300 8.864 3.144 1.00 54.12 C ATOM 162 O GLY A 12 -0.824 7.842 3.636 1.00 64.00 O ATOM 0 H GLY A 12 -3.540 10.377 2.929 1.00 35.42 H new ATOM 0 HA2 GLY A 12 -0.953 10.576 4.379 1.00 15.40 H new ATOM 0 HA3 GLY A 12 -2.277 9.561 4.915 1.00 15.40 H new ATOM 166 N GLN A 13 -1.410 9.054 1.833 1.00 52.31 N ATOM 167 CA GLN A 13 -0.966 8.048 0.876 1.00 74.22 C ATOM 168 C GLN A 13 0.280 8.516 0.132 1.00 52.33 C ATOM 169 O GLN A 13 0.735 9.646 0.311 1.00 42.54 O ATOM 170 CB GLN A 13 -2.083 7.735 -0.122 1.00 20.22 C ATOM 171 CG GLN A 13 -2.858 6.470 0.210 1.00 62.43 C ATOM 172 CD GLN A 13 -3.786 6.044 -0.910 1.00 73.44 C ATOM 173 OE1 GLN A 13 -3.250 5.951 -2.122 1.00 72.30 O flip ATOM 174 NE2 GLN A 13 -4.973 5.801 -0.690 1.00 23.35 N flip ATOM 0 H GLN A 13 -1.803 9.895 1.410 1.00 52.31 H new ATOM 0 HA GLN A 13 -0.718 7.142 1.429 1.00 74.22 H new ATOM 0 HB2 GLN A 13 -2.775 8.577 -0.156 1.00 20.22 H new ATOM 0 HB3 GLN A 13 -1.652 7.636 -1.118 1.00 20.22 H new ATOM 0 HG2 GLN A 13 -2.156 5.663 0.422 1.00 62.43 H new ATOM 0 HG3 GLN A 13 -3.440 6.632 1.117 1.00 62.43 H new ATOM 0 HE21 GLN A 13 -5.344 5.885 0.256 1.00 23.35 H new ATOM 0 HE22 GLN A 13 -5.585 5.516 -1.454 1.00 23.35 H new ATOM 183 N THR A 14 0.828 7.640 -0.704 1.00 45.12 N ATOM 184 CA THR A 14 2.023 7.963 -1.474 1.00 52.24 C ATOM 185 C THR A 14 1.905 7.459 -2.908 1.00 45.12 C ATOM 186 O THR A 14 1.015 6.671 -3.229 1.00 44.13 O ATOM 187 CB THR A 14 3.286 7.360 -0.832 1.00 31.42 C ATOM 188 OG1 THR A 14 3.113 7.257 0.586 1.00 42.20 O ATOM 189 CG2 THR A 14 4.509 8.211 -1.139 1.00 32.23 C ATOM 0 H THR A 14 0.463 6.701 -0.865 1.00 45.12 H new ATOM 0 HA THR A 14 2.111 9.049 -1.479 1.00 52.24 H new ATOM 0 HB THR A 14 3.441 6.366 -1.252 1.00 31.42 H new ATOM 0 HG1 THR A 14 3.920 6.871 0.987 1.00 42.20 H new ATOM 0 HG21 THR A 14 5.389 7.765 -0.675 1.00 32.23 H new ATOM 0 HG22 THR A 14 4.655 8.263 -2.218 1.00 32.23 H new ATOM 0 HG23 THR A 14 4.361 9.216 -0.744 1.00 32.23 H new ATOM 197 N CYS A 15 2.809 7.918 -3.768 1.00 24.35 N ATOM 198 CA CYS A 15 2.808 7.513 -5.168 1.00 50.32 C ATOM 199 C CYS A 15 4.149 6.897 -5.558 1.00 14.41 C ATOM 200 O CYS A 15 5.206 7.360 -5.127 1.00 74.41 O ATOM 201 CB CYS A 15 2.505 8.714 -6.067 1.00 23.20 C ATOM 202 SG CYS A 15 0.863 9.452 -5.793 1.00 54.12 S ATOM 0 H CYS A 15 3.552 8.571 -3.519 1.00 24.35 H new ATOM 0 HA CYS A 15 2.031 6.761 -5.302 1.00 50.32 H new ATOM 0 HB2 CYS A 15 3.266 9.477 -5.905 1.00 23.20 H new ATOM 0 HB3 CYS A 15 2.583 8.403 -7.109 1.00 23.20 H new ATOM 207 N CYS A 16 4.097 5.852 -6.376 1.00 64.50 N ATOM 208 CA CYS A 16 5.306 5.171 -6.825 1.00 2.13 C ATOM 209 C CYS A 16 6.286 6.159 -7.451 1.00 51.21 C ATOM 210 O CYS A 16 5.977 7.340 -7.613 1.00 34.11 O ATOM 211 CB CYS A 16 4.955 4.075 -7.833 1.00 42.31 C ATOM 212 SG CYS A 16 3.950 2.722 -7.141 1.00 44.43 S ATOM 0 H CYS A 16 3.230 5.458 -6.742 1.00 64.50 H new ATOM 0 HA CYS A 16 5.781 4.716 -5.956 1.00 2.13 H new ATOM 0 HB2 CYS A 16 4.416 4.523 -8.668 1.00 42.31 H new ATOM 0 HB3 CYS A 16 5.878 3.658 -8.236 1.00 42.31 H new ATOM 217 N LYS A 17 7.470 5.668 -7.802 1.00 75.03 N ATOM 218 CA LYS A 17 8.495 6.505 -8.412 1.00 44.35 C ATOM 219 C LYS A 17 8.009 7.083 -9.738 1.00 11.24 C ATOM 220 O LYS A 17 7.110 6.532 -10.374 1.00 0.10 O ATOM 221 CB LYS A 17 9.776 5.697 -8.636 1.00 11.53 C ATOM 222 CG LYS A 17 10.963 6.544 -9.060 1.00 42.40 C ATOM 223 CD LYS A 17 12.274 5.953 -8.569 1.00 71.23 C ATOM 224 CE LYS A 17 13.112 6.988 -7.834 1.00 34.54 C ATOM 225 NZ LYS A 17 14.016 6.358 -6.831 1.00 54.44 N ATOM 0 H LYS A 17 7.743 4.694 -7.674 1.00 75.03 H new ATOM 0 HA LYS A 17 8.706 7.330 -7.732 1.00 44.35 H new ATOM 0 HB2 LYS A 17 10.028 5.168 -7.717 1.00 11.53 H new ATOM 0 HB3 LYS A 17 9.590 4.940 -9.398 1.00 11.53 H new ATOM 0 HG2 LYS A 17 10.984 6.625 -10.147 1.00 42.40 H new ATOM 0 HG3 LYS A 17 10.849 7.554 -8.667 1.00 42.40 H new ATOM 0 HD2 LYS A 17 12.070 5.112 -7.906 1.00 71.23 H new ATOM 0 HD3 LYS A 17 12.838 5.562 -9.416 1.00 71.23 H new ATOM 0 HE2 LYS A 17 13.705 7.553 -8.553 1.00 34.54 H new ATOM 0 HE3 LYS A 17 12.455 7.699 -7.334 1.00 34.54 H new ATOM 0 HZ1 LYS A 17 14.570 7.096 -6.351 1.00 54.44 H new ATOM 0 HZ2 LYS A 17 13.449 5.840 -6.130 1.00 54.44 H new ATOM 0 HZ3 LYS A 17 14.661 5.698 -7.311 1.00 54.44 H new ATOM 239 N HIS A 18 8.609 8.196 -10.149 1.00 21.31 N ATOM 240 CA HIS A 18 8.238 8.847 -11.400 1.00 72.12 C ATOM 241 C HIS A 18 6.785 9.311 -11.361 1.00 11.12 C ATOM 242 O HIS A 18 6.161 9.521 -12.402 1.00 32.12 O ATOM 243 CB HIS A 18 8.449 7.895 -12.578 1.00 24.35 C ATOM 244 CG HIS A 18 9.747 8.107 -13.294 1.00 4.01 C ATOM 245 ND1 HIS A 18 9.835 8.272 -14.660 1.00 51.11 N ATOM 246 CD2 HIS A 18 11.015 8.183 -12.825 1.00 61.43 C ATOM 247 CE1 HIS A 18 11.100 8.438 -15.001 1.00 43.21 C ATOM 248 NE2 HIS A 18 11.837 8.389 -13.906 1.00 30.40 N ATOM 0 H HIS A 18 9.354 8.665 -9.634 1.00 21.31 H new ATOM 0 HA HIS A 18 8.877 9.720 -11.529 1.00 72.12 H new ATOM 0 HB2 HIS A 18 8.407 6.868 -12.216 1.00 24.35 H new ATOM 0 HB3 HIS A 18 7.629 8.018 -13.285 1.00 24.35 H new ATOM 0 HD2 HIS A 18 11.323 8.098 -11.793 1.00 61.43 H new ATOM 0 HE1 HIS A 18 11.469 8.588 -16.005 1.00 43.21 H new ATOM 0 HE2 HIS A 18 12.852 8.488 -13.869 1.00 30.40 H new ATOM 256 N LEU A 19 6.252 9.469 -10.154 1.00 70.12 N ATOM 257 CA LEU A 19 4.872 9.908 -9.979 1.00 32.31 C ATOM 258 C LEU A 19 4.748 10.851 -8.787 1.00 13.31 C ATOM 259 O LEU A 19 5.614 10.882 -7.913 1.00 22.21 O ATOM 260 CB LEU A 19 3.953 8.700 -9.786 1.00 14.31 C ATOM 261 CG LEU A 19 3.921 7.690 -10.934 1.00 2.44 C ATOM 262 CD1 LEU A 19 3.679 6.286 -10.403 1.00 15.25 C ATOM 263 CD2 LEU A 19 2.854 8.070 -11.949 1.00 54.42 C ATOM 0 H LEU A 19 6.754 9.300 -9.283 1.00 70.12 H new ATOM 0 HA LEU A 19 4.571 10.446 -10.878 1.00 32.31 H new ATOM 0 HB2 LEU A 19 4.257 8.179 -8.878 1.00 14.31 H new ATOM 0 HB3 LEU A 19 2.939 9.063 -9.620 1.00 14.31 H new ATOM 0 HG LEU A 19 4.890 7.705 -11.433 1.00 2.44 H new ATOM 0 HD11 LEU A 19 3.659 5.581 -11.234 1.00 15.25 H new ATOM 0 HD12 LEU A 19 4.480 6.014 -9.715 1.00 15.25 H new ATOM 0 HD13 LEU A 19 2.724 6.255 -9.878 1.00 15.25 H new ATOM 0 HD21 LEU A 19 2.846 7.340 -12.759 1.00 54.42 H new ATOM 0 HD22 LEU A 19 1.878 8.084 -11.463 1.00 54.42 H new ATOM 0 HD23 LEU A 19 3.072 9.058 -12.354 1.00 54.42 H new ATOM 275 N VAL A 20 3.663 11.619 -8.757 1.00 40.20 N ATOM 276 CA VAL A 20 3.423 12.562 -7.671 1.00 23.43 C ATOM 277 C VAL A 20 1.943 12.622 -7.312 1.00 53.25 C ATOM 278 O VAL A 20 1.078 12.551 -8.186 1.00 73.40 O ATOM 279 CB VAL A 20 3.910 13.976 -8.037 1.00 52.32 C ATOM 280 CG1 VAL A 20 5.429 14.043 -8.008 1.00 22.13 C ATOM 281 CG2 VAL A 20 3.376 14.386 -9.402 1.00 24.23 C ATOM 0 H VAL A 20 2.936 11.606 -9.473 1.00 40.20 H new ATOM 0 HA VAL A 20 3.988 12.204 -6.810 1.00 23.43 H new ATOM 0 HB VAL A 20 3.526 14.677 -7.296 1.00 52.32 H new ATOM 0 HG11 VAL A 20 5.754 15.050 -8.269 1.00 22.13 H new ATOM 0 HG12 VAL A 20 5.785 13.795 -7.008 1.00 22.13 H new ATOM 0 HG13 VAL A 20 5.838 13.332 -8.726 1.00 22.13 H new ATOM 0 HG21 VAL A 20 3.730 15.388 -9.645 1.00 24.23 H new ATOM 0 HG22 VAL A 20 3.729 13.683 -10.157 1.00 24.23 H new ATOM 0 HG23 VAL A 20 2.286 14.381 -9.383 1.00 24.23 H new ATOM 291 N CYS A 21 1.657 12.755 -6.022 1.00 11.14 N ATOM 292 CA CYS A 21 0.281 12.826 -5.546 1.00 34.32 C ATOM 293 C CYS A 21 -0.377 14.135 -5.974 1.00 64.54 C ATOM 294 O CYS A 21 -0.230 15.161 -5.311 1.00 41.12 O ATOM 295 CB CYS A 21 0.238 12.696 -4.022 1.00 4.10 C ATOM 296 SG CYS A 21 -1.407 12.985 -3.296 1.00 74.15 S ATOM 0 H CYS A 21 2.361 12.816 -5.286 1.00 11.14 H new ATOM 0 HA CYS A 21 -0.273 11.999 -5.990 1.00 34.32 H new ATOM 0 HB2 CYS A 21 0.576 11.698 -3.744 1.00 4.10 H new ATOM 0 HB3 CYS A 21 0.944 13.404 -3.588 1.00 4.10 H new ATOM 301 N SER A 22 -1.102 14.089 -7.088 1.00 4.54 N ATOM 302 CA SER A 22 -1.779 15.272 -7.607 1.00 63.22 C ATOM 303 C SER A 22 -3.011 15.603 -6.771 1.00 54.14 C ATOM 304 O SER A 22 -4.060 14.974 -6.915 1.00 41.25 O ATOM 305 CB SER A 22 -2.182 15.054 -9.067 1.00 3.50 C ATOM 306 OG SER A 22 -2.377 16.291 -9.732 1.00 25.33 O ATOM 0 H SER A 22 -1.235 13.247 -7.647 1.00 4.54 H new ATOM 0 HA SER A 22 -1.087 16.112 -7.550 1.00 63.22 H new ATOM 0 HB2 SER A 22 -1.410 14.480 -9.579 1.00 3.50 H new ATOM 0 HB3 SER A 22 -3.098 14.465 -9.111 1.00 3.50 H new ATOM 0 HG SER A 22 -2.315 16.155 -10.701 1.00 25.33 H new ATOM 312 N ARG A 23 -2.877 16.595 -5.897 1.00 43.24 N ATOM 313 CA ARG A 23 -3.978 17.010 -5.037 1.00 51.31 C ATOM 314 C ARG A 23 -5.072 17.699 -5.848 1.00 45.51 C ATOM 315 O ARG A 23 -6.213 17.812 -5.400 1.00 44.41 O ATOM 316 CB ARG A 23 -3.471 17.950 -3.942 1.00 14.42 C ATOM 317 CG ARG A 23 -2.510 17.289 -2.968 1.00 63.13 C ATOM 318 CD ARG A 23 -2.587 17.925 -1.589 1.00 52.44 C ATOM 319 NE ARG A 23 -3.289 17.074 -0.632 1.00 52.44 N ATOM 320 CZ ARG A 23 -3.506 17.415 0.633 1.00 53.30 C ATOM 321 NH1 ARG A 23 -3.079 18.584 1.091 1.00 25.30 N ATOM 322 NH2 ARG A 23 -4.153 16.587 1.443 1.00 60.20 N ATOM 0 H ARG A 23 -2.016 17.126 -5.766 1.00 43.24 H new ATOM 0 HA ARG A 23 -4.400 16.118 -4.574 1.00 51.31 H new ATOM 0 HB2 ARG A 23 -2.975 18.802 -4.407 1.00 14.42 H new ATOM 0 HB3 ARG A 23 -4.324 18.342 -3.388 1.00 14.42 H new ATOM 0 HG2 ARG A 23 -2.741 16.226 -2.893 1.00 63.13 H new ATOM 0 HG3 ARG A 23 -1.492 17.368 -3.350 1.00 63.13 H new ATOM 0 HD2 ARG A 23 -1.579 18.125 -1.225 1.00 52.44 H new ATOM 0 HD3 ARG A 23 -3.096 18.886 -1.661 1.00 52.44 H new ATOM 0 HE ARG A 23 -3.631 16.168 -0.953 1.00 52.44 H new ATOM 0 HH11 ARG A 23 -2.582 19.224 0.471 1.00 25.30 H new ATOM 0 HH12 ARG A 23 -3.247 18.843 2.063 1.00 25.30 H new ATOM 0 HH21 ARG A 23 -4.484 15.688 1.094 1.00 60.20 H new ATOM 0 HH22 ARG A 23 -4.319 16.850 2.414 1.00 60.20 H new ATOM 336 N ARG A 24 -4.714 18.159 -7.043 1.00 33.20 N ATOM 337 CA ARG A 24 -5.664 18.838 -7.916 1.00 13.45 C ATOM 338 C ARG A 24 -6.433 17.834 -8.769 1.00 13.01 C ATOM 339 O ARG A 24 -7.654 17.926 -8.907 1.00 4.50 O ATOM 340 CB ARG A 24 -4.937 19.838 -8.817 1.00 21.04 C ATOM 341 CG ARG A 24 -4.605 21.151 -8.126 1.00 72.13 C ATOM 342 CD ARG A 24 -5.708 22.179 -8.324 1.00 72.35 C ATOM 343 NE ARG A 24 -6.270 22.631 -7.054 1.00 60.54 N ATOM 344 CZ ARG A 24 -7.302 23.461 -6.962 1.00 13.45 C ATOM 345 NH1 ARG A 24 -7.883 23.928 -8.058 1.00 44.14 N ATOM 346 NH2 ARG A 24 -7.756 23.827 -5.769 1.00 74.54 N ATOM 0 H ARG A 24 -3.773 18.074 -7.428 1.00 33.20 H new ATOM 0 HA ARG A 24 -6.375 19.375 -7.289 1.00 13.45 H new ATOM 0 HB2 ARG A 24 -4.014 19.384 -9.179 1.00 21.04 H new ATOM 0 HB3 ARG A 24 -5.555 20.043 -9.691 1.00 21.04 H new ATOM 0 HG2 ARG A 24 -4.457 20.975 -7.060 1.00 72.13 H new ATOM 0 HG3 ARG A 24 -3.666 21.543 -8.518 1.00 72.13 H new ATOM 0 HD2 ARG A 24 -5.312 23.035 -8.870 1.00 72.35 H new ATOM 0 HD3 ARG A 24 -6.499 21.748 -8.938 1.00 72.35 H new ATOM 0 HE ARG A 24 -5.847 22.290 -6.191 1.00 60.54 H new ATOM 0 HH11 ARG A 24 -7.537 23.650 -8.976 1.00 44.14 H new ATOM 0 HH12 ARG A 24 -8.676 24.566 -7.983 1.00 44.14 H new ATOM 0 HH21 ARG A 24 -7.312 23.470 -4.923 1.00 74.54 H new ATOM 0 HH22 ARG A 24 -8.549 24.465 -5.699 1.00 74.54 H new ATOM 360 N HIS A 25 -5.711 16.875 -9.340 1.00 13.10 N ATOM 361 CA HIS A 25 -6.326 15.853 -10.180 1.00 43.11 C ATOM 362 C HIS A 25 -7.016 14.792 -9.328 1.00 41.21 C ATOM 363 O HIS A 25 -8.001 14.187 -9.750 1.00 3.43 O ATOM 364 CB HIS A 25 -5.273 15.199 -11.076 1.00 14.10 C ATOM 365 CG HIS A 25 -4.994 15.968 -12.331 1.00 22.52 C ATOM 366 ND1 HIS A 25 -5.679 15.760 -13.509 1.00 73.20 N ATOM 367 CD2 HIS A 25 -4.098 16.949 -12.587 1.00 2.34 C ATOM 368 CE1 HIS A 25 -5.216 16.579 -14.436 1.00 1.22 C ATOM 369 NE2 HIS A 25 -4.256 17.312 -13.902 1.00 3.25 N ATOM 0 H HIS A 25 -4.700 16.784 -9.237 1.00 13.10 H new ATOM 0 HA HIS A 25 -7.077 16.335 -10.806 1.00 43.11 H new ATOM 0 HB2 HIS A 25 -4.346 15.089 -10.513 1.00 14.10 H new ATOM 0 HB3 HIS A 25 -5.606 14.195 -11.341 1.00 14.10 H new ATOM 0 HD1 HIS A 25 -6.427 15.080 -13.644 1.00 73.20 H new ATOM 0 HD2 HIS A 25 -3.390 17.369 -11.887 1.00 2.34 H new ATOM 0 HE1 HIS A 25 -5.563 16.639 -15.457 1.00 1.22 H new ATOM 377 N GLY A 26 -6.491 14.571 -8.126 1.00 50.25 N ATOM 378 CA GLY A 26 -7.069 13.583 -7.235 1.00 61.40 C ATOM 379 C GLY A 26 -6.469 12.204 -7.431 1.00 12.31 C ATOM 380 O GLY A 26 -7.034 11.205 -6.986 1.00 14.41 O ATOM 0 H GLY A 26 -5.676 15.059 -7.754 1.00 50.25 H new ATOM 0 HA2 GLY A 26 -6.919 13.898 -6.202 1.00 61.40 H new ATOM 0 HA3 GLY A 26 -8.145 13.534 -7.400 1.00 61.40 H new ATOM 384 N TRP A 27 -5.323 12.149 -8.099 1.00 50.54 N ATOM 385 CA TRP A 27 -4.647 10.882 -8.355 1.00 13.42 C ATOM 386 C TRP A 27 -3.175 11.107 -8.681 1.00 60.23 C ATOM 387 O TRP A 27 -2.766 12.219 -9.016 1.00 65.32 O ATOM 388 CB TRP A 27 -5.330 10.139 -9.504 1.00 41.44 C ATOM 389 CG TRP A 27 -5.333 10.909 -10.790 1.00 42.14 C ATOM 390 CD1 TRP A 27 -4.242 11.324 -11.499 1.00 41.45 C ATOM 391 CD2 TRP A 27 -6.481 11.357 -11.519 1.00 33.24 C ATOM 392 NE1 TRP A 27 -4.643 12.003 -12.625 1.00 13.43 N ATOM 393 CE2 TRP A 27 -6.012 12.036 -12.660 1.00 12.31 C ATOM 394 CE3 TRP A 27 -7.860 11.248 -11.319 1.00 11.21 C ATOM 395 CZ2 TRP A 27 -6.874 12.604 -13.594 1.00 40.15 C ATOM 396 CZ3 TRP A 27 -8.714 11.812 -12.247 1.00 51.52 C ATOM 397 CH2 TRP A 27 -8.219 12.483 -13.374 1.00 30.32 C ATOM 0 H TRP A 27 -4.842 12.967 -8.473 1.00 50.54 H new ATOM 0 HA TRP A 27 -4.711 10.275 -7.452 1.00 13.42 H new ATOM 0 HB2 TRP A 27 -4.826 9.185 -9.661 1.00 41.44 H new ATOM 0 HB3 TRP A 27 -6.358 9.914 -9.221 1.00 41.44 H new ATOM 0 HD1 TRP A 27 -3.215 11.145 -11.217 1.00 41.45 H new ATOM 0 HE1 TRP A 27 -4.022 12.415 -13.321 1.00 13.43 H new ATOM 0 HE3 TRP A 27 -8.251 10.732 -10.454 1.00 11.21 H new ATOM 0 HZ2 TRP A 27 -6.494 13.122 -14.462 1.00 40.15 H new ATOM 0 HZ3 TRP A 27 -9.781 11.735 -12.102 1.00 51.52 H new ATOM 0 HH2 TRP A 27 -8.912 12.913 -14.082 1.00 30.32 H new ATOM 408 N CYS A 28 -2.383 10.045 -8.582 1.00 62.40 N ATOM 409 CA CYS A 28 -0.955 10.125 -8.867 1.00 12.44 C ATOM 410 C CYS A 28 -0.711 10.444 -10.339 1.00 32.40 C ATOM 411 O CYS A 28 -1.211 9.752 -11.226 1.00 73.21 O ATOM 412 CB CYS A 28 -0.265 8.811 -8.496 1.00 41.23 C ATOM 413 SG CYS A 28 -0.484 8.321 -6.756 1.00 31.14 S ATOM 0 H CYS A 28 -2.706 9.118 -8.306 1.00 62.40 H new ATOM 0 HA CYS A 28 -0.534 10.930 -8.265 1.00 12.44 H new ATOM 0 HB2 CYS A 28 -0.650 8.018 -9.137 1.00 41.23 H new ATOM 0 HB3 CYS A 28 0.801 8.901 -8.705 1.00 41.23 H new ATOM 418 N VAL A 29 0.061 11.495 -10.591 1.00 44.53 N ATOM 419 CA VAL A 29 0.373 11.905 -11.955 1.00 44.23 C ATOM 420 C VAL A 29 1.861 11.751 -12.249 1.00 25.24 C ATOM 421 O VAL A 29 2.677 11.647 -11.333 1.00 23.42 O ATOM 422 CB VAL A 29 -0.040 13.367 -12.211 1.00 20.23 C ATOM 423 CG1 VAL A 29 -1.554 13.508 -12.174 1.00 70.25 C ATOM 424 CG2 VAL A 29 0.614 14.290 -11.194 1.00 42.53 C ATOM 0 H VAL A 29 0.482 12.079 -9.868 1.00 44.53 H new ATOM 0 HA VAL A 29 -0.195 11.253 -12.618 1.00 44.23 H new ATOM 0 HB VAL A 29 0.304 13.655 -13.204 1.00 20.23 H new ATOM 0 HG11 VAL A 29 -1.827 14.547 -12.357 1.00 70.25 H new ATOM 0 HG12 VAL A 29 -1.997 12.876 -12.943 1.00 70.25 H new ATOM 0 HG13 VAL A 29 -1.924 13.202 -11.195 1.00 70.25 H new ATOM 0 HG21 VAL A 29 0.312 15.319 -11.389 1.00 42.53 H new ATOM 0 HG22 VAL A 29 0.302 14.004 -10.190 1.00 42.53 H new ATOM 0 HG23 VAL A 29 1.698 14.209 -11.273 1.00 42.53 H new ATOM 434 N TRP A 30 2.207 11.737 -13.531 1.00 5.33 N ATOM 435 CA TRP A 30 3.599 11.596 -13.945 1.00 53.03 C ATOM 436 C TRP A 30 4.454 12.722 -13.375 1.00 53.42 C ATOM 437 O TRP A 30 4.139 13.900 -13.547 1.00 4.32 O ATOM 438 CB TRP A 30 3.699 11.585 -15.471 1.00 50.25 C ATOM 439 CG TRP A 30 3.083 10.371 -16.099 1.00 12.43 C ATOM 440 CD1 TRP A 30 2.155 10.348 -17.101 1.00 10.15 C ATOM 441 CD2 TRP A 30 3.349 9.005 -15.764 1.00 44.12 C ATOM 442 NE1 TRP A 30 1.829 9.049 -17.409 1.00 13.50 N ATOM 443 CE2 TRP A 30 2.548 8.207 -16.604 1.00 24.30 C ATOM 444 CE3 TRP A 30 4.188 8.378 -14.839 1.00 1.32 C ATOM 445 CZ2 TRP A 30 2.562 6.816 -16.543 1.00 64.20 C ATOM 446 CZ3 TRP A 30 4.201 6.998 -14.779 1.00 74.23 C ATOM 447 CH2 TRP A 30 3.393 6.229 -15.628 1.00 31.35 C ATOM 0 H TRP A 30 1.544 11.821 -14.301 1.00 5.33 H new ATOM 0 HA TRP A 30 3.974 10.649 -13.556 1.00 53.03 H new ATOM 0 HB2 TRP A 30 3.212 12.476 -15.866 1.00 50.25 H new ATOM 0 HB3 TRP A 30 4.749 11.641 -15.759 1.00 50.25 H new ATOM 0 HD1 TRP A 30 1.739 11.222 -17.580 1.00 10.15 H new ATOM 0 HE1 TRP A 30 1.160 8.759 -18.122 1.00 13.50 H new ATOM 0 HE3 TRP A 30 4.815 8.962 -14.182 1.00 1.32 H new ATOM 0 HZ2 TRP A 30 1.939 6.221 -17.195 1.00 64.20 H new ATOM 0 HZ3 TRP A 30 4.844 6.503 -14.066 1.00 74.23 H new ATOM 0 HH2 TRP A 30 3.427 5.152 -15.559 1.00 31.35 H new ATOM 458 N ASP A 31 5.535 12.354 -12.697 1.00 71.53 N ATOM 459 CA ASP A 31 6.436 13.334 -12.103 1.00 21.00 C ATOM 460 C ASP A 31 7.417 13.870 -13.141 1.00 60.11 C ATOM 461 O ASP A 31 8.145 13.107 -13.774 1.00 63.41 O ATOM 462 CB ASP A 31 7.201 12.712 -10.934 1.00 1.24 C ATOM 463 CG ASP A 31 8.031 13.731 -10.177 1.00 71.05 C ATOM 464 OD1 ASP A 31 7.634 14.915 -10.147 1.00 44.03 O ATOM 465 OD2 ASP A 31 9.076 13.344 -9.615 1.00 45.22 O ATOM 0 H ASP A 31 5.809 11.383 -12.545 1.00 71.53 H new ATOM 0 HA ASP A 31 5.836 14.165 -11.733 1.00 21.00 H new ATOM 0 HB2 ASP A 31 6.494 12.243 -10.250 1.00 1.24 H new ATOM 0 HB3 ASP A 31 7.853 11.923 -11.309 1.00 1.24 H new ATOM 470 N GLY A 32 7.429 15.189 -13.311 1.00 62.44 N ATOM 471 CA GLY A 32 8.323 15.804 -14.275 1.00 23.13 C ATOM 472 C GLY A 32 7.578 16.472 -15.413 1.00 60.22 C ATOM 473 O GLY A 32 8.118 17.348 -16.090 1.00 15.12 O ATOM 0 H GLY A 32 6.836 15.842 -12.799 1.00 62.44 H new ATOM 0 HA2 GLY A 32 8.945 16.542 -13.769 1.00 23.13 H new ATOM 0 HA3 GLY A 32 8.993 15.046 -14.679 1.00 23.13 H new ATOM 477 N THR A 33 6.333 16.057 -15.628 1.00 24.21 N ATOM 478 CA THR A 33 5.514 16.618 -16.694 1.00 53.41 C ATOM 479 C THR A 33 4.239 17.242 -16.137 1.00 41.22 C ATOM 480 O THR A 33 3.732 18.227 -16.675 1.00 32.14 O ATOM 481 CB THR A 33 5.135 15.548 -17.735 1.00 63.10 C ATOM 482 OG1 THR A 33 4.449 16.155 -18.835 1.00 41.43 O ATOM 483 CG2 THR A 33 4.255 14.475 -17.112 1.00 64.42 C ATOM 0 H THR A 33 5.870 15.334 -15.077 1.00 24.21 H new ATOM 0 HA THR A 33 6.112 17.390 -17.179 1.00 53.41 H new ATOM 0 HB THR A 33 6.052 15.081 -18.093 1.00 63.10 H new ATOM 0 HG1 THR A 33 4.213 15.468 -19.493 1.00 41.43 H new ATOM 0 HG21 THR A 33 4.000 13.730 -17.866 1.00 64.42 H new ATOM 0 HG22 THR A 33 4.791 13.994 -16.294 1.00 64.42 H new ATOM 0 HG23 THR A 33 3.342 14.931 -16.729 1.00 64.42 H new ATOM 491 N PHE A 34 3.726 16.664 -15.056 1.00 60.35 N ATOM 492 CA PHE A 34 2.510 17.163 -14.426 1.00 55.35 C ATOM 493 C PHE A 34 2.617 18.659 -14.146 1.00 41.43 C ATOM 494 O PHE A 34 3.701 19.239 -14.216 1.00 61.51 O ATOM 495 CB PHE A 34 2.237 16.408 -13.124 1.00 73.54 C ATOM 496 CG PHE A 34 3.139 16.815 -11.995 1.00 32.34 C ATOM 497 CD1 PHE A 34 4.489 16.504 -12.022 1.00 33.51 C ATOM 498 CD2 PHE A 34 2.637 17.509 -10.906 1.00 1.13 C ATOM 499 CE1 PHE A 34 5.321 16.876 -10.983 1.00 53.42 C ATOM 500 CE2 PHE A 34 3.464 17.885 -9.864 1.00 44.01 C ATOM 501 CZ PHE A 34 4.808 17.569 -9.904 1.00 2.04 C ATOM 0 H PHE A 34 4.134 15.849 -14.598 1.00 60.35 H new ATOM 0 HA PHE A 34 1.681 16.998 -15.114 1.00 55.35 H new ATOM 0 HB2 PHE A 34 1.201 16.573 -12.828 1.00 73.54 H new ATOM 0 HB3 PHE A 34 2.351 15.339 -13.302 1.00 73.54 H new ATOM 0 HD1 PHE A 34 4.896 15.965 -12.865 1.00 33.51 H new ATOM 0 HD2 PHE A 34 1.587 17.759 -10.871 1.00 1.13 H new ATOM 0 HE1 PHE A 34 6.371 16.625 -11.015 1.00 53.42 H new ATOM 0 HE2 PHE A 34 3.060 18.425 -9.020 1.00 44.01 H new ATOM 0 HZ PHE A 34 5.457 17.863 -9.093 1.00 2.04 H new ATOM 511 N SER A 35 1.485 19.279 -13.830 1.00 13.13 N ATOM 512 CA SER A 35 1.450 20.708 -13.543 1.00 53.52 C ATOM 513 C SER A 35 2.026 21.510 -14.707 1.00 33.14 C ATOM 514 O SER A 35 1.809 22.716 -14.810 1.00 14.12 O ATOM 515 CB SER A 35 2.231 21.013 -12.263 1.00 74.23 C ATOM 516 OG SER A 35 2.833 22.294 -12.326 1.00 64.20 O ATOM 0 H SER A 35 0.579 18.814 -13.766 1.00 13.13 H new ATOM 0 HA SER A 35 0.409 21.000 -13.403 1.00 53.52 H new ATOM 0 HB2 SER A 35 1.561 20.964 -11.404 1.00 74.23 H new ATOM 0 HB3 SER A 35 2.999 20.254 -12.112 1.00 74.23 H new ATOM 0 HG SER A 35 3.325 22.466 -11.496 1.00 64.20 H new TER 522 SER A 35