USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=4 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 105:sc= 1.26 USER MOD Single : A 14 SER OG : rot -79:sc= 0.878 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 22.402 8.011 -4.511 1.00 20.00 N ATOM 2 CA ASP A 1 22.132 7.139 -3.346 1.00 20.00 C ATOM 3 C ASP A 1 23.101 5.941 -3.209 1.00 20.00 C ATOM 4 O ASP A 1 22.731 4.894 -2.690 1.00 20.00 O ATOM 5 CB ASP A 1 20.655 6.709 -3.378 1.00 20.00 C ATOM 6 CG ASP A 1 20.127 6.657 -1.948 1.00 20.00 C ATOM 7 OD1 ASP A 1 20.262 7.721 -1.305 1.00 20.00 O ATOM 8 OD2 ASP A 1 19.651 5.585 -1.524 1.00 20.00 O ATOM 0 H1 ASP A 1 21.711 8.788 -4.531 1.00 20.00 H new ATOM 0 H2 ASP A 1 23.362 8.404 -4.436 1.00 20.00 H new ATOM 0 H3 ASP A 1 22.323 7.455 -5.386 1.00 20.00 H new ATOM 0 HA ASP A 1 22.321 7.721 -2.444 1.00 20.00 H new ATOM 0 HB2 ASP A 1 20.070 7.412 -3.971 1.00 20.00 H new ATOM 0 HB3 ASP A 1 20.556 5.733 -3.852 1.00 20.00 H new ATOM 15 N ALA A 2 24.364 6.066 -3.645 1.00 20.00 N ATOM 16 CA ALA A 2 25.311 4.940 -3.645 1.00 20.00 C ATOM 17 C ALA A 2 25.764 4.501 -2.235 1.00 20.00 C ATOM 18 O ALA A 2 26.007 3.315 -2.005 1.00 20.00 O ATOM 19 CB ALA A 2 26.505 5.302 -4.547 1.00 20.00 C ATOM 0 H ALA A 2 24.754 6.938 -4.003 1.00 20.00 H new ATOM 0 HA ALA A 2 24.793 4.067 -4.043 1.00 20.00 H new ATOM 0 HB1 ALA A 2 27.217 4.476 -4.557 1.00 20.00 H new ATOM 0 HB2 ALA A 2 26.151 5.489 -5.561 1.00 20.00 H new ATOM 0 HB3 ALA A 2 26.993 6.197 -4.162 1.00 20.00 H new ATOM 25 N TYR A 3 25.847 5.435 -1.277 1.00 20.00 N ATOM 26 CA TYR A 3 26.298 5.158 0.092 1.00 20.00 C ATOM 27 C TYR A 3 25.365 4.183 0.838 1.00 20.00 C ATOM 28 O TYR A 3 25.829 3.358 1.626 1.00 20.00 O ATOM 29 CB TYR A 3 26.456 6.484 0.856 1.00 20.00 C ATOM 30 CG TYR A 3 27.517 6.450 1.942 1.00 20.00 C ATOM 31 CD1 TYR A 3 27.299 5.734 3.135 1.00 20.00 C ATOM 32 CD2 TYR A 3 28.732 7.143 1.759 1.00 20.00 C ATOM 33 CE1 TYR A 3 28.292 5.701 4.132 1.00 20.00 C ATOM 34 CE2 TYR A 3 29.726 7.120 2.754 1.00 20.00 C ATOM 35 CZ TYR A 3 29.502 6.399 3.948 1.00 20.00 C ATOM 36 OH TYR A 3 30.432 6.408 4.942 1.00 20.00 O ATOM 0 H TYR A 3 25.601 6.412 -1.433 1.00 20.00 H new ATOM 0 HA TYR A 3 27.265 4.658 0.035 1.00 20.00 H new ATOM 0 HB2 TYR A 3 26.703 7.273 0.146 1.00 20.00 H new ATOM 0 HB3 TYR A 3 25.499 6.748 1.306 1.00 20.00 H new ATOM 0 HD1 TYR A 3 26.367 5.209 3.285 1.00 20.00 H new ATOM 0 HD2 TYR A 3 28.901 7.696 0.847 1.00 20.00 H new ATOM 0 HE1 TYR A 3 28.126 5.140 5.040 1.00 20.00 H new ATOM 0 HE2 TYR A 3 30.655 7.650 2.606 1.00 20.00 H new ATOM 0 HH TYR A 3 31.210 6.932 4.658 1.00 20.00 H new ATOM 46 N ALA A 4 24.056 4.224 0.551 1.00 20.00 N ATOM 47 CA ALA A 4 23.080 3.274 1.081 1.00 20.00 C ATOM 48 C ALA A 4 23.435 1.830 0.692 1.00 20.00 C ATOM 49 O ALA A 4 23.430 0.931 1.535 1.00 20.00 O ATOM 50 CB ALA A 4 21.690 3.667 0.565 1.00 20.00 C ATOM 0 H ALA A 4 23.645 4.927 -0.063 1.00 20.00 H new ATOM 0 HA ALA A 4 23.088 3.312 2.170 1.00 20.00 H new ATOM 0 HB1 ALA A 4 20.948 2.968 0.951 1.00 20.00 H new ATOM 0 HB2 ALA A 4 21.449 4.675 0.902 1.00 20.00 H new ATOM 0 HB3 ALA A 4 21.685 3.637 -0.525 1.00 20.00 H new ATOM 56 N GLN A 5 23.795 1.617 -0.581 1.00 20.00 N ATOM 57 CA GLN A 5 24.258 0.321 -1.061 1.00 20.00 C ATOM 58 C GLN A 5 25.602 -0.050 -0.426 1.00 20.00 C ATOM 59 O GLN A 5 25.720 -1.154 0.093 1.00 20.00 O ATOM 60 CB GLN A 5 24.291 0.315 -2.595 1.00 20.00 C ATOM 61 CG GLN A 5 24.283 -1.116 -3.150 1.00 20.00 C ATOM 62 CD GLN A 5 23.797 -1.137 -4.594 1.00 20.00 C ATOM 63 OE1 GLN A 5 24.559 -0.955 -5.530 1.00 20.00 O ATOM 64 NE2 GLN A 5 22.510 -1.341 -4.815 1.00 20.00 N ATOM 0 H GLN A 5 23.771 2.340 -1.300 1.00 20.00 H new ATOM 0 HA GLN A 5 23.557 -0.455 -0.752 1.00 20.00 H new ATOM 0 HB2 GLN A 5 23.430 0.861 -2.981 1.00 20.00 H new ATOM 0 HB3 GLN A 5 25.182 0.837 -2.943 1.00 20.00 H new ATOM 0 HG2 GLN A 5 25.287 -1.538 -3.094 1.00 20.00 H new ATOM 0 HG3 GLN A 5 23.638 -1.745 -2.536 1.00 20.00 H new ATOM 0 HE21 GLN A 5 21.876 -1.493 -4.031 1.00 20.00 H new ATOM 0 HE22 GLN A 5 22.151 -1.347 -5.770 1.00 20.00 H new ATOM 73 N TRP A 6 26.566 0.884 -0.372 1.00 20.00 N ATOM 74 CA TRP A 6 27.850 0.686 0.313 1.00 20.00 C ATOM 75 C TRP A 6 27.682 0.121 1.733 1.00 20.00 C ATOM 76 O TRP A 6 28.299 -0.888 2.066 1.00 20.00 O ATOM 77 CB TRP A 6 28.658 1.990 0.321 1.00 20.00 C ATOM 78 CG TRP A 6 30.046 1.839 0.854 1.00 20.00 C ATOM 79 CD1 TRP A 6 31.111 1.444 0.127 1.00 20.00 C ATOM 80 CD2 TRP A 6 30.542 2.045 2.215 1.00 20.00 C ATOM 81 NE1 TRP A 6 32.214 1.333 0.947 1.00 20.00 N ATOM 82 CE2 TRP A 6 31.931 1.722 2.237 1.00 20.00 C ATOM 83 CE3 TRP A 6 29.968 2.483 3.429 1.00 20.00 C ATOM 84 CZ2 TRP A 6 32.717 1.849 3.391 1.00 20.00 C ATOM 85 CZ3 TRP A 6 30.746 2.613 4.596 1.00 20.00 C ATOM 86 CH2 TRP A 6 32.119 2.309 4.576 1.00 20.00 C ATOM 0 H TRP A 6 26.474 1.803 -0.806 1.00 20.00 H new ATOM 0 HA TRP A 6 28.405 -0.065 -0.249 1.00 20.00 H new ATOM 0 HB2 TRP A 6 28.710 2.380 -0.696 1.00 20.00 H new ATOM 0 HB3 TRP A 6 28.128 2.731 0.920 1.00 20.00 H new ATOM 0 HD1 TRP A 6 31.101 1.245 -0.934 1.00 20.00 H new ATOM 0 HE1 TRP A 6 33.128 1.003 0.636 1.00 20.00 H new ATOM 0 HE3 TRP A 6 28.915 2.722 3.463 1.00 20.00 H new ATOM 0 HZ2 TRP A 6 33.767 1.597 3.369 1.00 20.00 H new ATOM 0 HZ3 TRP A 6 30.285 2.949 5.513 1.00 20.00 H new ATOM 0 HH2 TRP A 6 32.713 2.429 5.470 1.00 20.00 H new ATOM 97 N LEU A 7 26.801 0.719 2.548 1.00 20.00 N ATOM 98 CA LEU A 7 26.450 0.191 3.870 1.00 20.00 C ATOM 99 C LEU A 7 25.882 -1.238 3.799 1.00 20.00 C ATOM 100 O LEU A 7 26.331 -2.100 4.557 1.00 20.00 O ATOM 101 CB LEU A 7 25.468 1.145 4.573 1.00 20.00 C ATOM 102 CG LEU A 7 26.097 2.483 5.007 1.00 20.00 C ATOM 103 CD1 LEU A 7 24.996 3.456 5.435 1.00 20.00 C ATOM 104 CD2 LEU A 7 27.073 2.308 6.176 1.00 20.00 C ATOM 0 H LEU A 7 26.313 1.582 2.307 1.00 20.00 H new ATOM 0 HA LEU A 7 27.367 0.129 4.456 1.00 20.00 H new ATOM 0 HB2 LEU A 7 24.632 1.348 3.903 1.00 20.00 H new ATOM 0 HB3 LEU A 7 25.058 0.646 5.451 1.00 20.00 H new ATOM 0 HG LEU A 7 26.649 2.873 4.152 1.00 20.00 H new ATOM 0 HD11 LEU A 7 25.445 4.401 5.741 1.00 20.00 H new ATOM 0 HD12 LEU A 7 24.319 3.630 4.599 1.00 20.00 H new ATOM 0 HD13 LEU A 7 24.439 3.031 6.270 1.00 20.00 H new ATOM 0 HD21 LEU A 7 27.492 3.277 6.448 1.00 20.00 H new ATOM 0 HD22 LEU A 7 26.544 1.888 7.032 1.00 20.00 H new ATOM 0 HD23 LEU A 7 27.878 1.635 5.881 1.00 20.00 H new ATOM 116 N LYS A 8 24.941 -1.503 2.877 1.00 20.00 N ATOM 117 CA LYS A 8 24.302 -2.818 2.686 1.00 20.00 C ATOM 118 C LYS A 8 25.301 -3.958 2.439 1.00 20.00 C ATOM 119 O LYS A 8 25.066 -5.073 2.894 1.00 20.00 O ATOM 120 CB LYS A 8 23.253 -2.729 1.559 1.00 20.00 C ATOM 121 CG LYS A 8 22.258 -3.901 1.614 1.00 20.00 C ATOM 122 CD LYS A 8 21.005 -3.677 0.749 1.00 20.00 C ATOM 123 CE LYS A 8 21.131 -4.294 -0.648 1.00 20.00 C ATOM 124 NZ LYS A 8 19.874 -4.122 -1.418 1.00 20.00 N ATOM 0 H LYS A 8 24.595 -0.795 2.230 1.00 20.00 H new ATOM 0 HA LYS A 8 23.806 -3.073 3.623 1.00 20.00 H new ATOM 0 HB2 LYS A 8 22.711 -1.787 1.640 1.00 20.00 H new ATOM 0 HB3 LYS A 8 23.757 -2.724 0.592 1.00 20.00 H new ATOM 0 HG2 LYS A 8 22.760 -4.811 1.285 1.00 20.00 H new ATOM 0 HG3 LYS A 8 21.953 -4.061 2.648 1.00 20.00 H new ATOM 0 HD2 LYS A 8 20.139 -4.105 1.254 1.00 20.00 H new ATOM 0 HD3 LYS A 8 20.821 -2.607 0.654 1.00 20.00 H new ATOM 0 HE2 LYS A 8 21.957 -3.826 -1.183 1.00 20.00 H new ATOM 0 HE3 LYS A 8 21.367 -5.355 -0.562 1.00 20.00 H new ATOM 0 HZ1 LYS A 8 19.983 -4.548 -2.361 1.00 20.00 H new ATOM 0 HZ2 LYS A 8 19.092 -4.589 -0.916 1.00 20.00 H new ATOM 0 HZ3 LYS A 8 19.664 -3.108 -1.518 1.00 20.00 H new ATOM 138 N ASP A 9 26.433 -3.675 1.791 1.00 20.00 N ATOM 139 CA ASP A 9 27.516 -4.635 1.516 1.00 20.00 C ATOM 140 C ASP A 9 28.492 -4.848 2.698 1.00 20.00 C ATOM 141 O ASP A 9 29.613 -5.338 2.506 1.00 20.00 O ATOM 142 CB ASP A 9 28.267 -4.184 0.258 1.00 20.00 C ATOM 143 CG ASP A 9 27.338 -3.971 -0.935 1.00 20.00 C ATOM 144 OD1 ASP A 9 26.643 -4.934 -1.324 1.00 20.00 O ATOM 145 OD2 ASP A 9 27.363 -2.839 -1.472 1.00 20.00 O ATOM 0 H ASP A 9 26.632 -2.742 1.429 1.00 20.00 H new ATOM 0 HA ASP A 9 27.052 -5.609 1.360 1.00 20.00 H new ATOM 0 HB2 ASP A 9 28.799 -3.257 0.470 1.00 20.00 H new ATOM 0 HB3 ASP A 9 29.018 -4.931 0.000 1.00 20.00 H new ATOM 150 N GLY A 10 28.082 -4.457 3.916 1.00 20.00 N ATOM 151 CA GLY A 10 28.879 -4.530 5.141 1.00 20.00 C ATOM 152 C GLY A 10 29.819 -3.333 5.311 1.00 20.00 C ATOM 153 O GLY A 10 30.888 -3.479 5.911 1.00 20.00 O ATOM 0 H GLY A 10 27.152 -4.068 4.075 1.00 20.00 H new ATOM 0 HA2 GLY A 10 28.211 -4.586 6.001 1.00 20.00 H new ATOM 0 HA3 GLY A 10 29.466 -5.448 5.133 1.00 20.00 H new ATOM 157 N GLY A 11 29.452 -2.175 4.751 1.00 20.00 N ATOM 158 CA GLY A 11 30.283 -0.976 4.671 1.00 20.00 C ATOM 159 C GLY A 11 31.645 -1.271 4.024 1.00 20.00 C ATOM 160 O GLY A 11 31.684 -1.653 2.855 1.00 20.00 O ATOM 0 H GLY A 11 28.534 -2.046 4.326 1.00 20.00 H new ATOM 0 HA2 GLY A 11 29.764 -0.211 4.093 1.00 20.00 H new ATOM 0 HA3 GLY A 11 30.435 -0.571 5.672 1.00 20.00 H new ATOM 164 N PRO A 12 32.772 -1.138 4.752 1.00 20.00 N ATOM 165 CA PRO A 12 34.097 -1.385 4.189 1.00 20.00 C ATOM 166 C PRO A 12 34.435 -2.881 4.046 1.00 20.00 C ATOM 167 O PRO A 12 35.441 -3.208 3.420 1.00 20.00 O ATOM 168 CB PRO A 12 35.060 -0.666 5.138 1.00 20.00 C ATOM 169 CG PRO A 12 34.364 -0.746 6.497 1.00 20.00 C ATOM 170 CD PRO A 12 32.874 -0.746 6.153 1.00 20.00 C ATOM 0 HA PRO A 12 34.163 -1.012 3.167 1.00 20.00 H new ATOM 0 HB2 PRO A 12 36.036 -1.151 5.160 1.00 20.00 H new ATOM 0 HB3 PRO A 12 35.224 0.368 4.833 1.00 20.00 H new ATOM 0 HG2 PRO A 12 34.648 -1.649 7.038 1.00 20.00 H new ATOM 0 HG3 PRO A 12 34.627 0.101 7.130 1.00 20.00 H new ATOM 0 HD2 PRO A 12 32.329 -1.441 6.791 1.00 20.00 H new ATOM 0 HD3 PRO A 12 32.439 0.241 6.312 1.00 20.00 H new ATOM 178 N SER A 13 33.610 -3.792 4.588 1.00 20.00 N ATOM 179 CA SER A 13 33.895 -5.237 4.686 1.00 20.00 C ATOM 180 C SER A 13 34.211 -5.896 3.341 1.00 20.00 C ATOM 181 O SER A 13 35.054 -6.785 3.261 1.00 20.00 O ATOM 182 CB SER A 13 32.705 -5.981 5.305 1.00 20.00 C ATOM 183 OG SER A 13 32.359 -5.437 6.562 1.00 20.00 O ATOM 0 H SER A 13 32.703 -3.540 4.981 1.00 20.00 H new ATOM 0 HA SER A 13 34.782 -5.311 5.316 1.00 20.00 H new ATOM 0 HB2 SER A 13 31.848 -5.924 4.633 1.00 20.00 H new ATOM 0 HB3 SER A 13 32.952 -7.037 5.418 1.00 20.00 H new ATOM 0 HG SER A 13 31.538 -4.909 6.475 1.00 20.00 H new ATOM 189 N SER A 14 33.532 -5.452 2.282 1.00 20.00 N ATOM 190 CA SER A 14 33.669 -5.906 0.898 1.00 20.00 C ATOM 191 C SER A 14 34.861 -5.269 0.157 1.00 20.00 C ATOM 192 O SER A 14 35.105 -5.612 -0.997 1.00 20.00 O ATOM 193 CB SER A 14 32.352 -5.626 0.143 1.00 20.00 C ATOM 194 OG SER A 14 31.539 -4.670 0.812 1.00 20.00 O ATOM 0 H SER A 14 32.828 -4.720 2.374 1.00 20.00 H new ATOM 0 HA SER A 14 33.874 -6.976 0.926 1.00 20.00 H new ATOM 0 HB2 SER A 14 32.580 -5.267 -0.860 1.00 20.00 H new ATOM 0 HB3 SER A 14 31.796 -6.557 0.029 1.00 20.00 H new ATOM 0 HG SER A 14 31.066 -5.104 1.553 1.00 20.00 H new ATOM 200 N GLY A 15 35.592 -4.327 0.772 1.00 20.00 N ATOM 201 CA GLY A 15 36.779 -3.671 0.206 1.00 20.00 C ATOM 202 C GLY A 15 36.494 -2.554 -0.809 1.00 20.00 C ATOM 203 O GLY A 15 37.403 -1.803 -1.157 1.00 20.00 O ATOM 0 H GLY A 15 35.365 -3.990 1.708 1.00 20.00 H new ATOM 0 HA2 GLY A 15 37.367 -3.254 1.024 1.00 20.00 H new ATOM 0 HA3 GLY A 15 37.396 -4.429 -0.277 1.00 20.00 H new ATOM 207 N ARG A 16 35.241 -2.413 -1.263 1.00 20.00 N ATOM 208 CA ARG A 16 34.742 -1.319 -2.110 1.00 20.00 C ATOM 209 C ARG A 16 34.941 0.051 -1.423 1.00 20.00 C ATOM 210 O ARG A 16 34.380 0.256 -0.344 1.00 20.00 O ATOM 211 CB ARG A 16 33.277 -1.592 -2.523 1.00 20.00 C ATOM 212 CG ARG A 16 32.279 -1.826 -1.369 1.00 20.00 C ATOM 213 CD ARG A 16 31.068 -2.675 -1.790 1.00 20.00 C ATOM 214 NE ARG A 16 29.867 -1.914 -2.171 1.00 20.00 N ATOM 215 CZ ARG A 16 29.365 -1.691 -3.376 1.00 20.00 C ATOM 216 NH1 ARG A 16 30.051 -1.862 -4.479 1.00 20.00 N ATOM 217 NH2 ARG A 16 28.108 -1.341 -3.470 1.00 20.00 N ATOM 0 H ARG A 16 34.512 -3.091 -1.039 1.00 20.00 H new ATOM 0 HA ARG A 16 35.327 -1.278 -3.029 1.00 20.00 H new ATOM 0 HB2 ARG A 16 32.925 -0.748 -3.116 1.00 20.00 H new ATOM 0 HB3 ARG A 16 33.261 -2.467 -3.173 1.00 20.00 H new ATOM 0 HG2 ARG A 16 32.794 -2.319 -0.544 1.00 20.00 H new ATOM 0 HG3 ARG A 16 31.930 -0.863 -0.996 1.00 20.00 H new ATOM 0 HD2 ARG A 16 31.361 -3.304 -2.631 1.00 20.00 H new ATOM 0 HD3 ARG A 16 30.809 -3.342 -0.968 1.00 20.00 H new ATOM 0 HE ARG A 16 29.348 -1.500 -1.397 1.00 20.00 H new ATOM 0 HH11 ARG A 16 31.019 -2.181 -4.433 1.00 20.00 H new ATOM 0 HH12 ARG A 16 29.617 -1.676 -5.383 1.00 20.00 H new ATOM 0 HH21 ARG A 16 27.541 -1.246 -2.628 1.00 20.00 H new ATOM 0 HH22 ARG A 16 27.695 -1.163 -4.386 1.00 20.00 H new ATOM 231 N PRO A 17 35.737 0.986 -1.987 1.00 20.00 N ATOM 232 CA PRO A 17 35.934 2.320 -1.410 1.00 20.00 C ATOM 233 C PRO A 17 34.607 3.080 -1.180 1.00 20.00 C ATOM 234 O PRO A 17 33.744 3.051 -2.060 1.00 20.00 O ATOM 235 CB PRO A 17 36.837 3.071 -2.399 1.00 20.00 C ATOM 236 CG PRO A 17 37.590 1.957 -3.121 1.00 20.00 C ATOM 237 CD PRO A 17 36.562 0.831 -3.179 1.00 20.00 C ATOM 0 HA PRO A 17 36.384 2.241 -0.420 1.00 20.00 H new ATOM 0 HB2 PRO A 17 36.254 3.675 -3.094 1.00 20.00 H new ATOM 0 HB3 PRO A 17 37.520 3.747 -1.884 1.00 20.00 H new ATOM 0 HG2 PRO A 17 37.909 2.265 -4.117 1.00 20.00 H new ATOM 0 HG3 PRO A 17 38.486 1.658 -2.578 1.00 20.00 H new ATOM 0 HD2 PRO A 17 35.958 0.899 -4.084 1.00 20.00 H new ATOM 0 HD3 PRO A 17 37.050 -0.144 -3.193 1.00 20.00 H new ATOM 245 N PRO A 18 34.420 3.767 -0.033 1.00 20.00 N ATOM 246 CA PRO A 18 33.214 4.552 0.235 1.00 20.00 C ATOM 247 C PRO A 18 33.079 5.768 -0.701 1.00 20.00 C ATOM 248 O PRO A 18 34.045 6.519 -0.870 1.00 20.00 O ATOM 249 CB PRO A 18 33.293 4.993 1.700 1.00 20.00 C ATOM 250 CG PRO A 18 34.769 4.844 2.065 1.00 20.00 C ATOM 251 CD PRO A 18 35.279 3.742 1.140 1.00 20.00 C ATOM 0 HA PRO A 18 32.329 3.944 0.049 1.00 20.00 H new ATOM 0 HB2 PRO A 18 32.955 6.022 1.824 1.00 20.00 H new ATOM 0 HB3 PRO A 18 32.662 4.372 2.336 1.00 20.00 H new ATOM 0 HG2 PRO A 18 35.313 5.776 1.910 1.00 20.00 H new ATOM 0 HG3 PRO A 18 34.894 4.572 3.113 1.00 20.00 H new ATOM 0 HD2 PRO A 18 36.319 3.916 0.864 1.00 20.00 H new ATOM 0 HD3 PRO A 18 35.237 2.770 1.632 1.00 20.00 H new ATOM 259 N PRO A 19 31.883 6.014 -1.275 1.00 20.00 N ATOM 260 CA PRO A 19 31.633 7.155 -2.149 1.00 20.00 C ATOM 261 C PRO A 19 31.597 8.452 -1.328 1.00 20.00 C ATOM 262 O PRO A 19 30.623 8.728 -0.627 1.00 20.00 O ATOM 263 CB PRO A 19 30.310 6.842 -2.855 1.00 20.00 C ATOM 264 CG PRO A 19 29.556 5.980 -1.843 1.00 20.00 C ATOM 265 CD PRO A 19 30.664 5.231 -1.104 1.00 20.00 C ATOM 0 HA PRO A 19 32.419 7.311 -2.888 1.00 20.00 H new ATOM 0 HB2 PRO A 19 29.759 7.751 -3.096 1.00 20.00 H new ATOM 0 HB3 PRO A 19 30.472 6.310 -3.792 1.00 20.00 H new ATOM 0 HG2 PRO A 19 28.962 6.590 -1.162 1.00 20.00 H new ATOM 0 HG3 PRO A 19 28.869 5.293 -2.336 1.00 20.00 H new ATOM 0 HD2 PRO A 19 30.419 5.121 -0.048 1.00 20.00 H new ATOM 0 HD3 PRO A 19 30.789 4.227 -1.508 1.00 20.00 H new ATOM 273 N SER A 20 32.684 9.226 -1.396 1.00 20.00 N ATOM 274 CA SER A 20 32.885 10.510 -0.715 1.00 20.00 C ATOM 275 C SER A 20 33.792 11.419 -1.543 1.00 20.00 C ATOM 276 O SER A 20 34.600 10.858 -2.318 1.00 20.00 O ATOM 277 CB SER A 20 33.440 10.303 0.699 1.00 20.00 C ATOM 278 OG SER A 20 34.522 9.395 0.687 1.00 20.00 O ATOM 279 OXT SER A 20 33.619 12.648 -1.408 1.00 20.00 O ATOM 0 H SER A 20 33.492 8.960 -1.958 1.00 20.00 H new ATOM 0 HA SER A 20 31.917 11.001 -0.616 1.00 20.00 H new ATOM 0 HB2 SER A 20 33.766 11.259 1.110 1.00 20.00 H new ATOM 0 HB3 SER A 20 32.652 9.928 1.352 1.00 20.00 H new ATOM 0 HG SER A 20 34.862 9.279 1.599 1.00 20.00 H new TER 285 SER A 20