USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 136 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 ASP N :NH3+ 166:sc= 0.833 (180deg=0.713) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.0599 X(o=-0.06,f=-0.055) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 90:sc= 1.26 USER MOD Single : A 14 SER OG : rot 14:sc= 1.22 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 26.583 9.011 -4.394 1.00 20.00 N ATOM 2 CA ASP A 1 25.675 7.986 -4.968 1.00 20.00 C ATOM 3 C ASP A 1 26.005 6.594 -4.446 1.00 20.00 C ATOM 4 O ASP A 1 27.100 6.406 -3.945 1.00 20.00 O ATOM 5 CB ASP A 1 25.725 8.065 -6.498 1.00 20.00 C ATOM 6 CG ASP A 1 24.995 9.336 -6.925 1.00 20.00 C ATOM 7 OD1 ASP A 1 25.416 10.392 -6.391 1.00 20.00 O ATOM 8 OD2 ASP A 1 23.991 9.215 -7.647 1.00 20.00 O ATOM 0 H1 ASP A 1 26.495 9.895 -4.935 1.00 20.00 H new ATOM 0 H2 ASP A 1 26.326 9.186 -3.402 1.00 20.00 H new ATOM 0 H3 ASP A 1 27.565 8.671 -4.442 1.00 20.00 H new ATOM 0 HA ASP A 1 24.653 8.190 -4.649 1.00 20.00 H new ATOM 0 HB2 ASP A 1 26.758 8.083 -6.846 1.00 20.00 H new ATOM 0 HB3 ASP A 1 25.255 7.187 -6.941 1.00 20.00 H new ATOM 15 N ALA A 2 25.062 5.644 -4.504 1.00 20.00 N ATOM 16 CA ALA A 2 25.200 4.235 -4.080 1.00 20.00 C ATOM 17 C ALA A 2 25.579 3.969 -2.597 1.00 20.00 C ATOM 18 O ALA A 2 25.685 2.811 -2.187 1.00 20.00 O ATOM 19 CB ALA A 2 26.123 3.506 -5.069 1.00 20.00 C ATOM 0 H ALA A 2 24.130 5.844 -4.867 1.00 20.00 H new ATOM 0 HA ALA A 2 24.192 3.822 -4.112 1.00 20.00 H new ATOM 0 HB1 ALA A 2 26.232 2.465 -4.765 1.00 20.00 H new ATOM 0 HB2 ALA A 2 25.691 3.549 -6.069 1.00 20.00 H new ATOM 0 HB3 ALA A 2 27.101 3.986 -5.075 1.00 20.00 H new ATOM 25 N TYR A 3 25.723 5.010 -1.764 1.00 20.00 N ATOM 26 CA TYR A 3 26.167 4.923 -0.365 1.00 20.00 C ATOM 27 C TYR A 3 25.276 4.020 0.508 1.00 20.00 C ATOM 28 O TYR A 3 25.776 3.264 1.341 1.00 20.00 O ATOM 29 CB TYR A 3 26.259 6.340 0.229 1.00 20.00 C ATOM 30 CG TYR A 3 27.378 6.521 1.242 1.00 20.00 C ATOM 31 CD1 TYR A 3 27.375 5.813 2.461 1.00 20.00 C ATOM 32 CD2 TYR A 3 28.438 7.402 0.955 1.00 20.00 C ATOM 33 CE1 TYR A 3 28.442 5.960 3.368 1.00 20.00 C ATOM 34 CE2 TYR A 3 29.504 7.560 1.858 1.00 20.00 C ATOM 35 CZ TYR A 3 29.508 6.834 3.069 1.00 20.00 C ATOM 36 OH TYR A 3 30.522 6.993 3.961 1.00 20.00 O ATOM 0 H TYR A 3 25.527 5.968 -2.055 1.00 20.00 H new ATOM 0 HA TYR A 3 27.150 4.452 -0.367 1.00 20.00 H new ATOM 0 HB2 TYR A 3 26.401 7.053 -0.583 1.00 20.00 H new ATOM 0 HB3 TYR A 3 25.310 6.584 0.706 1.00 20.00 H new ATOM 0 HD1 TYR A 3 26.552 5.156 2.700 1.00 20.00 H new ATOM 0 HD2 TYR A 3 28.432 7.962 0.032 1.00 20.00 H new ATOM 0 HE1 TYR A 3 28.444 5.403 4.293 1.00 20.00 H new ATOM 0 HE2 TYR A 3 30.316 8.233 1.626 1.00 20.00 H new ATOM 0 HH TYR A 3 31.177 7.628 3.602 1.00 20.00 H new ATOM 46 N ALA A 4 23.954 4.051 0.294 1.00 20.00 N ATOM 47 CA ALA A 4 23.016 3.161 0.977 1.00 20.00 C ATOM 48 C ALA A 4 23.377 1.682 0.752 1.00 20.00 C ATOM 49 O ALA A 4 23.423 0.907 1.707 1.00 20.00 O ATOM 50 CB ALA A 4 21.593 3.479 0.505 1.00 20.00 C ATOM 0 H ALA A 4 23.508 4.696 -0.359 1.00 20.00 H new ATOM 0 HA ALA A 4 23.077 3.330 2.052 1.00 20.00 H new ATOM 0 HB1 ALA A 4 20.887 2.820 1.009 1.00 20.00 H new ATOM 0 HB2 ALA A 4 21.354 4.516 0.742 1.00 20.00 H new ATOM 0 HB3 ALA A 4 21.525 3.328 -0.572 1.00 20.00 H new ATOM 56 N GLN A 5 23.694 1.306 -0.495 1.00 20.00 N ATOM 57 CA GLN A 5 24.162 -0.034 -0.839 1.00 20.00 C ATOM 58 C GLN A 5 25.531 -0.324 -0.208 1.00 20.00 C ATOM 59 O GLN A 5 25.727 -1.402 0.349 1.00 20.00 O ATOM 60 CB GLN A 5 24.213 -0.202 -2.369 1.00 20.00 C ATOM 61 CG GLN A 5 23.927 -1.650 -2.793 1.00 20.00 C ATOM 62 CD GLN A 5 22.436 -1.969 -2.704 1.00 20.00 C ATOM 63 OE1 GLN A 5 21.646 -1.580 -3.548 1.00 20.00 O ATOM 64 NE2 GLN A 5 21.992 -2.662 -1.675 1.00 20.00 N ATOM 0 H GLN A 5 23.630 1.933 -1.297 1.00 20.00 H new ATOM 0 HA GLN A 5 23.455 -0.758 -0.434 1.00 20.00 H new ATOM 0 HB2 GLN A 5 23.484 0.463 -2.832 1.00 20.00 H new ATOM 0 HB3 GLN A 5 25.195 0.097 -2.735 1.00 20.00 H new ATOM 0 HG2 GLN A 5 24.275 -1.808 -3.814 1.00 20.00 H new ATOM 0 HG3 GLN A 5 24.487 -2.335 -2.156 1.00 20.00 H new ATOM 0 HE21 GLN A 5 22.644 -2.992 -0.963 1.00 20.00 H new ATOM 0 HE22 GLN A 5 20.997 -2.868 -1.590 1.00 20.00 H new ATOM 73 N TRP A 6 26.460 0.645 -0.243 1.00 20.00 N ATOM 74 CA TRP A 6 27.761 0.534 0.426 1.00 20.00 C ATOM 75 C TRP A 6 27.603 0.089 1.887 1.00 20.00 C ATOM 76 O TRP A 6 28.180 -0.924 2.282 1.00 20.00 O ATOM 77 CB TRP A 6 28.560 1.837 0.288 1.00 20.00 C ATOM 78 CG TRP A 6 29.979 1.726 0.745 1.00 20.00 C ATOM 79 CD1 TRP A 6 31.011 1.321 -0.024 1.00 20.00 C ATOM 80 CD2 TRP A 6 30.546 2.008 2.062 1.00 20.00 C ATOM 81 NE1 TRP A 6 32.162 1.275 0.736 1.00 20.00 N ATOM 82 CE2 TRP A 6 31.936 1.691 2.029 1.00 20.00 C ATOM 83 CE3 TRP A 6 30.031 2.508 3.277 1.00 20.00 C ATOM 84 CZ2 TRP A 6 32.776 1.861 3.139 1.00 20.00 C ATOM 85 CZ3 TRP A 6 30.866 2.702 4.394 1.00 20.00 C ATOM 86 CH2 TRP A 6 32.236 2.388 4.324 1.00 20.00 C ATOM 0 H TRP A 6 26.327 1.527 -0.737 1.00 20.00 H new ATOM 0 HA TRP A 6 28.337 -0.246 -0.072 1.00 20.00 H new ATOM 0 HB2 TRP A 6 28.548 2.151 -0.756 1.00 20.00 H new ATOM 0 HB3 TRP A 6 28.063 2.619 0.862 1.00 20.00 H new ATOM 0 HD1 TRP A 6 30.946 1.071 -1.073 1.00 20.00 H new ATOM 0 HE1 TRP A 6 33.069 0.970 0.383 1.00 20.00 H new ATOM 0 HE3 TRP A 6 28.980 2.746 3.351 1.00 20.00 H new ATOM 0 HZ2 TRP A 6 33.820 1.591 3.084 1.00 20.00 H new ATOM 0 HZ3 TRP A 6 30.452 3.095 5.311 1.00 20.00 H new ATOM 0 HH2 TRP A 6 32.872 2.552 5.181 1.00 20.00 H new ATOM 97 N LEU A 7 26.755 0.783 2.658 1.00 20.00 N ATOM 98 CA LEU A 7 26.405 0.400 4.029 1.00 20.00 C ATOM 99 C LEU A 7 25.708 -0.971 4.106 1.00 20.00 C ATOM 100 O LEU A 7 26.084 -1.784 4.950 1.00 20.00 O ATOM 101 CB LEU A 7 25.530 1.495 4.666 1.00 20.00 C ATOM 102 CG LEU A 7 26.254 2.840 4.870 1.00 20.00 C ATOM 103 CD1 LEU A 7 25.235 3.931 5.205 1.00 20.00 C ATOM 104 CD2 LEU A 7 27.289 2.773 5.999 1.00 20.00 C ATOM 0 H LEU A 7 26.289 1.634 2.343 1.00 20.00 H new ATOM 0 HA LEU A 7 27.335 0.302 4.589 1.00 20.00 H new ATOM 0 HB2 LEU A 7 24.655 1.658 4.037 1.00 20.00 H new ATOM 0 HB3 LEU A 7 25.167 1.140 5.631 1.00 20.00 H new ATOM 0 HG LEU A 7 26.774 3.070 3.940 1.00 20.00 H new ATOM 0 HD11 LEU A 7 25.752 4.880 5.348 1.00 20.00 H new ATOM 0 HD12 LEU A 7 24.522 4.026 4.386 1.00 20.00 H new ATOM 0 HD13 LEU A 7 24.705 3.665 6.119 1.00 20.00 H new ATOM 0 HD21 LEU A 7 27.774 3.743 6.106 1.00 20.00 H new ATOM 0 HD22 LEU A 7 26.792 2.510 6.933 1.00 20.00 H new ATOM 0 HD23 LEU A 7 28.038 2.018 5.762 1.00 20.00 H new ATOM 116 N LYS A 8 24.728 -1.246 3.228 1.00 20.00 N ATOM 117 CA LYS A 8 23.953 -2.502 3.182 1.00 20.00 C ATOM 118 C LYS A 8 24.837 -3.756 3.127 1.00 20.00 C ATOM 119 O LYS A 8 24.556 -4.726 3.823 1.00 20.00 O ATOM 120 CB LYS A 8 22.998 -2.460 1.973 1.00 20.00 C ATOM 121 CG LYS A 8 21.801 -3.418 2.054 1.00 20.00 C ATOM 122 CD LYS A 8 20.726 -2.947 3.046 1.00 20.00 C ATOM 123 CE LYS A 8 19.398 -3.644 2.722 1.00 20.00 C ATOM 124 NZ LYS A 8 18.441 -3.568 3.850 1.00 20.00 N ATOM 0 H LYS A 8 24.443 -0.582 2.508 1.00 20.00 H new ATOM 0 HA LYS A 8 23.387 -2.574 4.111 1.00 20.00 H new ATOM 0 HB2 LYS A 8 22.622 -1.443 1.862 1.00 20.00 H new ATOM 0 HB3 LYS A 8 23.567 -2.690 1.072 1.00 20.00 H new ATOM 0 HG2 LYS A 8 21.356 -3.520 1.064 1.00 20.00 H new ATOM 0 HG3 LYS A 8 22.152 -4.407 2.349 1.00 20.00 H new ATOM 0 HD2 LYS A 8 21.031 -3.177 4.067 1.00 20.00 H new ATOM 0 HD3 LYS A 8 20.607 -1.865 2.985 1.00 20.00 H new ATOM 0 HE2 LYS A 8 18.954 -3.185 1.839 1.00 20.00 H new ATOM 0 HE3 LYS A 8 19.587 -4.689 2.477 1.00 20.00 H new ATOM 0 HZ1 LYS A 8 17.558 -4.051 3.589 1.00 20.00 H new ATOM 0 HZ2 LYS A 8 18.853 -4.028 4.687 1.00 20.00 H new ATOM 0 HZ3 LYS A 8 18.239 -2.571 4.068 1.00 20.00 H new ATOM 138 N ASP A 9 25.914 -3.716 2.338 1.00 20.00 N ATOM 139 CA ASP A 9 26.924 -4.777 2.209 1.00 20.00 C ATOM 140 C ASP A 9 27.927 -4.847 3.391 1.00 20.00 C ATOM 141 O ASP A 9 28.909 -5.587 3.329 1.00 20.00 O ATOM 142 CB ASP A 9 27.647 -4.593 0.865 1.00 20.00 C ATOM 143 CG ASP A 9 26.769 -4.969 -0.340 1.00 20.00 C ATOM 144 OD1 ASP A 9 25.954 -4.120 -0.775 1.00 20.00 O ATOM 145 OD2 ASP A 9 26.972 -6.081 -0.865 1.00 20.00 O ATOM 0 H ASP A 9 26.117 -2.911 1.746 1.00 20.00 H new ATOM 0 HA ASP A 9 26.406 -5.736 2.239 1.00 20.00 H new ATOM 0 HB2 ASP A 9 27.965 -3.555 0.768 1.00 20.00 H new ATOM 0 HB3 ASP A 9 28.549 -5.204 0.856 1.00 20.00 H new ATOM 150 N GLY A 10 27.709 -4.090 4.477 1.00 20.00 N ATOM 151 CA GLY A 10 28.586 -4.070 5.651 1.00 20.00 C ATOM 152 C GLY A 10 29.709 -3.032 5.558 1.00 20.00 C ATOM 153 O GLY A 10 30.706 -3.154 6.277 1.00 20.00 O ATOM 0 H GLY A 10 26.906 -3.467 4.563 1.00 20.00 H new ATOM 0 HA2 GLY A 10 27.987 -3.867 6.539 1.00 20.00 H new ATOM 0 HA3 GLY A 10 29.026 -5.059 5.783 1.00 20.00 H new ATOM 157 N GLY A 11 29.570 -2.043 4.663 1.00 20.00 N ATOM 158 CA GLY A 11 30.503 -0.943 4.436 1.00 20.00 C ATOM 159 C GLY A 11 31.929 -1.432 4.159 1.00 20.00 C ATOM 160 O GLY A 11 32.140 -2.106 3.138 1.00 20.00 O ATOM 0 H GLY A 11 28.758 -1.991 4.048 1.00 20.00 H new ATOM 0 HA2 GLY A 11 30.157 -0.345 3.593 1.00 20.00 H new ATOM 0 HA3 GLY A 11 30.509 -0.290 5.309 1.00 20.00 H new ATOM 164 N PRO A 12 32.902 -1.158 5.059 1.00 20.00 N ATOM 165 CA PRO A 12 34.279 -1.638 4.925 1.00 20.00 C ATOM 166 C PRO A 12 34.384 -3.155 4.725 1.00 20.00 C ATOM 167 O PRO A 12 35.306 -3.610 4.053 1.00 20.00 O ATOM 168 CB PRO A 12 35.006 -1.219 6.209 1.00 20.00 C ATOM 169 CG PRO A 12 34.175 -0.059 6.745 1.00 20.00 C ATOM 170 CD PRO A 12 32.759 -0.431 6.316 1.00 20.00 C ATOM 0 HA PRO A 12 34.725 -1.203 4.031 1.00 20.00 H new ATOM 0 HB2 PRO A 12 35.054 -2.039 6.925 1.00 20.00 H new ATOM 0 HB3 PRO A 12 36.032 -0.913 6.005 1.00 20.00 H new ATOM 0 HG2 PRO A 12 34.259 0.032 7.828 1.00 20.00 H new ATOM 0 HG3 PRO A 12 34.489 0.894 6.320 1.00 20.00 H new ATOM 0 HD2 PRO A 12 32.271 -1.048 7.071 1.00 20.00 H new ATOM 0 HD3 PRO A 12 32.144 0.459 6.185 1.00 20.00 H new ATOM 178 N SER A 13 33.419 -3.927 5.246 1.00 20.00 N ATOM 179 CA SER A 13 33.351 -5.389 5.120 1.00 20.00 C ATOM 180 C SER A 13 33.386 -5.845 3.658 1.00 20.00 C ATOM 181 O SER A 13 34.036 -6.835 3.337 1.00 20.00 O ATOM 182 CB SER A 13 32.079 -5.944 5.780 1.00 20.00 C ATOM 183 OG SER A 13 31.837 -5.349 7.042 1.00 20.00 O ATOM 0 H SER A 13 32.642 -3.540 5.782 1.00 20.00 H new ATOM 0 HA SER A 13 34.232 -5.780 5.630 1.00 20.00 H new ATOM 0 HB2 SER A 13 31.225 -5.769 5.126 1.00 20.00 H new ATOM 0 HB3 SER A 13 32.173 -7.023 5.899 1.00 20.00 H new ATOM 0 HG SER A 13 31.288 -4.546 6.925 1.00 20.00 H new ATOM 189 N SER A 14 32.719 -5.094 2.767 1.00 20.00 N ATOM 190 CA SER A 14 32.749 -5.316 1.317 1.00 20.00 C ATOM 191 C SER A 14 34.066 -4.934 0.620 1.00 20.00 C ATOM 192 O SER A 14 34.224 -5.254 -0.556 1.00 20.00 O ATOM 193 CB SER A 14 31.559 -4.648 0.599 1.00 20.00 C ATOM 194 OG SER A 14 31.122 -3.369 1.059 1.00 20.00 O ATOM 0 H SER A 14 32.135 -4.304 3.041 1.00 20.00 H new ATOM 0 HA SER A 14 32.666 -6.399 1.227 1.00 20.00 H new ATOM 0 HB2 SER A 14 31.819 -4.551 -0.455 1.00 20.00 H new ATOM 0 HB3 SER A 14 30.711 -5.330 0.657 1.00 20.00 H new ATOM 0 HG SER A 14 31.800 -2.986 1.654 1.00 20.00 H new ATOM 200 N GLY A 15 35.011 -4.262 1.294 1.00 20.00 N ATOM 201 CA GLY A 15 36.334 -3.941 0.743 1.00 20.00 C ATOM 202 C GLY A 15 36.337 -2.988 -0.462 1.00 20.00 C ATOM 203 O GLY A 15 37.334 -2.919 -1.178 1.00 20.00 O ATOM 0 H GLY A 15 34.876 -3.923 2.247 1.00 20.00 H new ATOM 0 HA2 GLY A 15 36.940 -3.500 1.534 1.00 20.00 H new ATOM 0 HA3 GLY A 15 36.821 -4.871 0.449 1.00 20.00 H new ATOM 207 N ARG A 16 35.238 -2.257 -0.694 1.00 20.00 N ATOM 208 CA ARG A 16 35.038 -1.361 -1.841 1.00 20.00 C ATOM 209 C ARG A 16 35.124 0.118 -1.418 1.00 20.00 C ATOM 210 O ARG A 16 34.537 0.466 -0.391 1.00 20.00 O ATOM 211 CB ARG A 16 33.727 -1.716 -2.566 1.00 20.00 C ATOM 212 CG ARG A 16 32.457 -1.726 -1.698 1.00 20.00 C ATOM 213 CD ARG A 16 31.324 -2.417 -2.464 1.00 20.00 C ATOM 214 NE ARG A 16 30.030 -2.335 -1.761 1.00 20.00 N ATOM 215 CZ ARG A 16 28.832 -2.305 -2.339 1.00 20.00 C ATOM 216 NH1 ARG A 16 28.679 -2.292 -3.644 1.00 20.00 N ATOM 217 NH2 ARG A 16 27.743 -2.289 -1.619 1.00 20.00 N ATOM 0 H ARG A 16 34.435 -2.274 -0.065 1.00 20.00 H new ATOM 0 HA ARG A 16 35.846 -1.507 -2.557 1.00 20.00 H new ATOM 0 HB2 ARG A 16 33.581 -1.005 -3.380 1.00 20.00 H new ATOM 0 HB3 ARG A 16 33.841 -2.701 -3.019 1.00 20.00 H new ATOM 0 HG2 ARG A 16 32.648 -2.248 -0.760 1.00 20.00 H new ATOM 0 HG3 ARG A 16 32.169 -0.706 -1.443 1.00 20.00 H new ATOM 0 HD2 ARG A 16 31.227 -1.962 -3.450 1.00 20.00 H new ATOM 0 HD3 ARG A 16 31.582 -3.464 -2.620 1.00 20.00 H new ATOM 0 HE ARG A 16 30.056 -2.298 -0.742 1.00 20.00 H new ATOM 0 HH11 ARG A 16 29.497 -2.305 -4.254 1.00 20.00 H new ATOM 0 HH12 ARG A 16 27.742 -2.269 -4.047 1.00 20.00 H new ATOM 0 HH21 ARG A 16 27.805 -2.299 -0.601 1.00 20.00 H new ATOM 0 HH22 ARG A 16 26.831 -2.266 -2.075 1.00 20.00 H new ATOM 231 N PRO A 17 35.834 0.993 -2.165 1.00 20.00 N ATOM 232 CA PRO A 17 35.966 2.419 -1.844 1.00 20.00 C ATOM 233 C PRO A 17 34.609 3.122 -1.617 1.00 20.00 C ATOM 234 O PRO A 17 33.744 3.037 -2.492 1.00 20.00 O ATOM 235 CB PRO A 17 36.727 3.043 -3.022 1.00 20.00 C ATOM 236 CG PRO A 17 37.540 1.879 -3.579 1.00 20.00 C ATOM 237 CD PRO A 17 36.623 0.680 -3.352 1.00 20.00 C ATOM 0 HA PRO A 17 36.497 2.543 -0.900 1.00 20.00 H new ATOM 0 HB2 PRO A 17 36.046 3.450 -3.769 1.00 20.00 H new ATOM 0 HB3 PRO A 17 37.369 3.861 -2.696 1.00 20.00 H new ATOM 0 HG2 PRO A 17 37.770 2.017 -4.635 1.00 20.00 H new ATOM 0 HG3 PRO A 17 38.490 1.765 -3.058 1.00 20.00 H new ATOM 0 HD2 PRO A 17 35.979 0.513 -4.215 1.00 20.00 H new ATOM 0 HD3 PRO A 17 37.202 -0.232 -3.206 1.00 20.00 H new ATOM 245 N PRO A 18 34.388 3.809 -0.475 1.00 20.00 N ATOM 246 CA PRO A 18 33.143 4.532 -0.222 1.00 20.00 C ATOM 247 C PRO A 18 32.954 5.725 -1.180 1.00 20.00 C ATOM 248 O PRO A 18 33.886 6.508 -1.379 1.00 20.00 O ATOM 249 CB PRO A 18 33.191 4.998 1.236 1.00 20.00 C ATOM 250 CG PRO A 18 34.675 4.959 1.591 1.00 20.00 C ATOM 251 CD PRO A 18 35.245 3.859 0.698 1.00 20.00 C ATOM 0 HA PRO A 18 32.290 3.877 -0.399 1.00 20.00 H new ATOM 0 HB2 PRO A 18 32.781 6.002 1.347 1.00 20.00 H new ATOM 0 HB3 PRO A 18 32.609 4.342 1.883 1.00 20.00 H new ATOM 0 HG2 PRO A 18 35.156 5.918 1.398 1.00 20.00 H new ATOM 0 HG3 PRO A 18 34.826 4.733 2.647 1.00 20.00 H new ATOM 0 HD2 PRO A 18 36.276 4.078 0.419 1.00 20.00 H new ATOM 0 HD3 PRO A 18 35.252 2.900 1.217 1.00 20.00 H new ATOM 259 N PRO A 19 31.746 5.905 -1.745 1.00 20.00 N ATOM 260 CA PRO A 19 31.448 6.968 -2.701 1.00 20.00 C ATOM 261 C PRO A 19 31.328 8.330 -2.000 1.00 20.00 C ATOM 262 O PRO A 19 30.292 8.648 -1.419 1.00 20.00 O ATOM 263 CB PRO A 19 30.150 6.531 -3.384 1.00 20.00 C ATOM 264 CG PRO A 19 29.438 5.702 -2.313 1.00 20.00 C ATOM 265 CD PRO A 19 30.574 5.069 -1.524 1.00 20.00 C ATOM 0 HA PRO A 19 32.243 7.108 -3.433 1.00 20.00 H new ATOM 0 HB2 PRO A 19 29.551 7.388 -3.691 1.00 20.00 H new ATOM 0 HB3 PRO A 19 30.347 5.943 -4.280 1.00 20.00 H new ATOM 0 HG2 PRO A 19 28.809 6.326 -1.677 1.00 20.00 H new ATOM 0 HG3 PRO A 19 28.791 4.946 -2.758 1.00 20.00 H new ATOM 0 HD2 PRO A 19 30.328 5.018 -0.463 1.00 20.00 H new ATOM 0 HD3 PRO A 19 30.757 4.048 -1.859 1.00 20.00 H new ATOM 273 N SER A 20 32.409 9.118 -2.046 1.00 20.00 N ATOM 274 CA SER A 20 32.469 10.502 -1.549 1.00 20.00 C ATOM 275 C SER A 20 32.106 11.501 -2.648 1.00 20.00 C ATOM 276 O SER A 20 32.779 11.452 -3.701 1.00 20.00 O ATOM 277 CB SER A 20 33.864 10.808 -1.009 1.00 20.00 C ATOM 278 OG SER A 20 34.137 9.881 0.018 1.00 20.00 O ATOM 279 OXT SER A 20 31.171 12.292 -2.404 1.00 20.00 O ATOM 0 H SER A 20 33.294 8.802 -2.442 1.00 20.00 H new ATOM 0 HA SER A 20 31.741 10.601 -0.744 1.00 20.00 H new ATOM 0 HB2 SER A 20 34.607 10.730 -1.803 1.00 20.00 H new ATOM 0 HB3 SER A 20 33.911 11.828 -0.627 1.00 20.00 H new ATOM 0 HG SER A 20 35.030 10.052 0.384 1.00 20.00 H new TER 285 SER A 20