USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 132 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 NoAdj-H: A -1 GLY H1 : A -1 GLY N : A 21 GLY C :(NH2R) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -67:sc= 1.21 USER MOD Single : A 14 SER OG : rot -73:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.291 -8.511 -0.365 1.00 0.00 N ATOM 2 CA GLY A -1 24.054 -7.961 -0.901 1.00 0.00 C ATOM 3 C GLY A -1 23.540 -6.782 -0.095 1.00 0.00 C ATOM 4 O GLY A -1 23.704 -5.630 -0.502 1.00 0.00 O ATOM 0 H2 GLY A -1 25.598 -9.313 -0.952 1.00 0.00 H new ATOM 0 H3 GLY A -1 26.028 -7.777 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A -1 24.217 -7.648 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A -1 23.293 -8.741 -0.922 1.00 0.00 H new ATOM 8 N ASP A 1 22.915 -7.070 1.050 1.00 0.00 N ATOM 9 CA ASP A 1 22.372 -6.023 1.923 1.00 0.00 C ATOM 10 C ASP A 1 23.454 -5.018 2.327 1.00 0.00 C ATOM 11 O ASP A 1 23.189 -3.819 2.417 1.00 0.00 O ATOM 12 CB ASP A 1 21.748 -6.643 3.176 1.00 0.00 C ATOM 13 CG ASP A 1 20.452 -7.374 2.876 1.00 0.00 C ATOM 14 OD1 ASP A 1 20.511 -8.583 2.565 1.00 0.00 O ATOM 15 OD2 ASP A 1 19.381 -6.737 2.951 1.00 0.00 O ATOM 0 H ASP A 1 22.772 -8.019 1.395 1.00 0.00 H new ATOM 0 HA ASP A 1 21.603 -5.492 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 1 22.458 -7.337 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.559 -5.860 3.910 1.00 0.00 H new ATOM 20 N ALA A 2 24.671 -5.516 2.562 1.00 0.00 N ATOM 21 CA ALA A 2 25.795 -4.659 2.951 1.00 0.00 C ATOM 22 C ALA A 2 26.067 -3.582 1.899 1.00 0.00 C ATOM 23 O ALA A 2 26.409 -2.448 2.240 1.00 0.00 O ATOM 24 CB ALA A 2 27.046 -5.494 3.190 1.00 0.00 C ATOM 0 H ALA A 2 24.903 -6.507 2.490 1.00 0.00 H new ATOM 0 HA ALA A 2 25.524 -4.158 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.870 -4.841 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 2 26.857 -6.213 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.308 -6.027 2.276 1.00 0.00 H new ATOM 30 N TYR A 3 25.907 -3.941 0.621 1.00 0.00 N ATOM 31 CA TYR A 3 26.126 -3.003 -0.481 1.00 0.00 C ATOM 32 C TYR A 3 25.170 -1.812 -0.389 1.00 0.00 C ATOM 33 O TYR A 3 25.552 -0.681 -0.691 1.00 0.00 O ATOM 34 CB TYR A 3 25.954 -3.709 -1.829 1.00 0.00 C ATOM 35 CG TYR A 3 26.534 -2.943 -2.999 1.00 0.00 C ATOM 36 CD1 TYR A 3 27.905 -2.913 -3.225 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.710 -2.251 -3.878 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.437 -2.214 -4.292 1.00 0.00 C ATOM 39 CE2 TYR A 3 26.235 -1.551 -4.948 1.00 0.00 C ATOM 40 CZ TYR A 3 27.598 -1.535 -5.150 1.00 0.00 C ATOM 41 OH TYR A 3 28.125 -0.837 -6.211 1.00 0.00 O ATOM 0 H TYR A 3 25.626 -4.876 0.326 1.00 0.00 H new ATOM 0 HA TYR A 3 27.147 -2.630 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.428 -4.689 -1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 3 24.892 -3.877 -2.008 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.565 -3.445 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.641 -2.260 -3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.505 -2.200 -4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.580 -1.019 -5.622 1.00 0.00 H new ATOM 0 HH TYR A 3 27.400 -0.416 -6.718 1.00 0.00 H new ATOM 51 N ALA A 4 23.931 -2.074 0.039 1.00 0.00 N ATOM 52 CA ALA A 4 22.927 -1.020 0.180 1.00 0.00 C ATOM 53 C ALA A 4 23.408 0.063 1.146 1.00 0.00 C ATOM 54 O ALA A 4 23.315 1.255 0.847 1.00 0.00 O ATOM 55 CB ALA A 4 21.602 -1.604 0.650 1.00 0.00 C ATOM 0 H ALA A 4 23.602 -3.005 0.293 1.00 0.00 H new ATOM 0 HA ALA A 4 22.776 -0.562 -0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.867 -0.805 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.248 -2.334 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.741 -2.091 1.615 1.00 0.00 H new ATOM 61 N GLN A 5 23.936 -0.362 2.298 1.00 0.00 N ATOM 62 CA GLN A 5 24.449 0.571 3.301 1.00 0.00 C ATOM 63 C GLN A 5 25.715 1.262 2.798 1.00 0.00 C ATOM 64 O GLN A 5 25.943 2.440 3.081 1.00 0.00 O ATOM 65 CB GLN A 5 24.742 -0.161 4.615 1.00 0.00 C ATOM 66 CG GLN A 5 23.497 -0.473 5.431 1.00 0.00 C ATOM 67 CD GLN A 5 23.301 -1.961 5.654 1.00 0.00 C ATOM 68 OE1 GLN A 5 22.561 -2.618 4.920 1.00 0.00 O ATOM 69 NE2 GLN A 5 23.963 -2.503 6.672 1.00 0.00 N ATOM 0 H GLN A 5 24.018 -1.345 2.557 1.00 0.00 H new ATOM 0 HA GLN A 5 23.685 1.328 3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.263 -1.092 4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.417 0.447 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 5 23.565 0.029 6.396 1.00 0.00 H new ATOM 0 HG3 GLN A 5 22.623 -0.068 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 5 24.566 -1.923 7.255 1.00 0.00 H new ATOM 0 HE22 GLN A 5 23.868 -3.499 6.870 1.00 0.00 H new ATOM 78 N TRP A 6 26.530 0.520 2.043 1.00 0.00 N ATOM 79 CA TRP A 6 27.771 1.053 1.484 1.00 0.00 C ATOM 80 C TRP A 6 27.485 2.252 0.579 1.00 0.00 C ATOM 81 O TRP A 6 28.145 3.288 0.684 1.00 0.00 O ATOM 82 CB TRP A 6 28.508 -0.041 0.702 1.00 0.00 C ATOM 83 CG TRP A 6 29.808 0.414 0.112 1.00 0.00 C ATOM 84 CD1 TRP A 6 30.954 0.716 0.788 1.00 0.00 C ATOM 85 CD2 TRP A 6 30.094 0.619 -1.276 1.00 0.00 C ATOM 86 NE1 TRP A 6 31.933 1.102 -0.094 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.431 1.049 -1.367 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.351 0.481 -2.451 1.00 0.00 C ATOM 89 CZ2 TRP A 6 32.037 1.341 -2.586 1.00 0.00 C ATOM 90 CZ3 TRP A 6 29.955 0.772 -3.659 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.288 1.198 -3.716 1.00 0.00 C ATOM 0 H TRP A 6 26.350 -0.455 1.805 1.00 0.00 H new ATOM 0 HA TRP A 6 28.405 1.388 2.305 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.696 -0.886 1.365 1.00 0.00 H new ATOM 0 HB3 TRP A 6 27.862 -0.401 -0.099 1.00 0.00 H new ATOM 0 HD1 TRP A 6 31.074 0.660 1.860 1.00 0.00 H new ATOM 0 HE1 TRP A 6 32.881 1.383 0.158 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.323 0.153 -2.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.065 1.669 -2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.390 0.669 -4.574 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.732 1.418 -4.676 1.00 0.00 H new ATOM 102 N LEU A 7 26.485 2.110 -0.295 1.00 0.00 N ATOM 103 CA LEU A 7 26.097 3.186 -1.206 1.00 0.00 C ATOM 104 C LEU A 7 25.547 4.381 -0.425 1.00 0.00 C ATOM 105 O LEU A 7 25.798 5.533 -0.782 1.00 0.00 O ATOM 106 CB LEU A 7 25.045 2.693 -2.205 1.00 0.00 C ATOM 107 CG LEU A 7 25.535 1.657 -3.225 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.367 1.119 -4.038 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.594 2.254 -4.145 1.00 0.00 C ATOM 0 H LEU A 7 25.930 1.259 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 7 26.985 3.501 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.214 2.262 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.653 3.554 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 7 25.989 0.831 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.731 0.385 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.646 0.646 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.885 1.940 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.924 1.499 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.171 3.102 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.445 2.589 -3.551 1.00 0.00 H new ATOM 121 N ALA A 8 24.802 4.093 0.648 1.00 0.00 N ATOM 122 CA ALA A 8 24.220 5.137 1.491 1.00 0.00 C ATOM 123 C ALA A 8 25.300 5.982 2.170 1.00 0.00 C ATOM 124 O ALA A 8 25.084 7.160 2.455 1.00 0.00 O ATOM 125 CB ALA A 8 23.298 4.522 2.533 1.00 0.00 C ATOM 0 H ALA A 8 24.589 3.143 0.952 1.00 0.00 H new ATOM 0 HA ALA A 8 23.639 5.797 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.872 5.311 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.495 3.980 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.865 3.834 3.160 1.00 0.00 H new ATOM 131 N ASP A 9 26.465 5.374 2.421 1.00 0.00 N ATOM 132 CA ASP A 9 27.579 6.075 3.060 1.00 0.00 C ATOM 133 C ASP A 9 28.361 6.938 2.057 1.00 0.00 C ATOM 134 O ASP A 9 29.334 7.596 2.431 1.00 0.00 O ATOM 135 CB ASP A 9 28.523 5.071 3.734 1.00 0.00 C ATOM 136 CG ASP A 9 29.139 5.620 5.007 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.504 5.496 6.075 1.00 0.00 O ATOM 138 OD2 ASP A 9 30.257 6.173 4.935 1.00 0.00 O ATOM 0 H ASP A 9 26.658 4.399 2.191 1.00 0.00 H new ATOM 0 HA ASP A 9 27.158 6.739 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.974 4.158 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.316 4.799 3.038 1.00 0.00 H new ATOM 143 N GLY A 10 27.933 6.938 0.789 1.00 0.00 N ATOM 144 CA GLY A 10 28.606 7.727 -0.230 1.00 0.00 C ATOM 145 C GLY A 10 29.336 6.884 -1.269 1.00 0.00 C ATOM 146 O GLY A 10 29.995 7.433 -2.153 1.00 0.00 O ATOM 0 H GLY A 10 27.131 6.404 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.872 8.356 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.321 8.394 0.252 1.00 0.00 H new ATOM 150 N GLY A 11 29.222 5.554 -1.171 1.00 0.00 N ATOM 151 CA GLY A 11 29.889 4.681 -2.122 1.00 0.00 C ATOM 152 C GLY A 11 31.403 4.818 -2.071 1.00 0.00 C ATOM 153 O GLY A 11 31.974 4.898 -0.984 1.00 0.00 O ATOM 0 H GLY A 11 28.682 5.072 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.613 3.647 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.540 4.910 -3.129 1.00 0.00 H new ATOM 157 N PRO A 12 32.088 4.845 -3.234 1.00 0.00 N ATOM 158 CA PRO A 12 33.554 4.977 -3.293 1.00 0.00 C ATOM 159 C PRO A 12 34.090 6.146 -2.457 1.00 0.00 C ATOM 160 O PRO A 12 35.156 6.040 -1.849 1.00 0.00 O ATOM 161 CB PRO A 12 33.827 5.230 -4.781 1.00 0.00 C ATOM 162 CG PRO A 12 32.681 4.601 -5.491 1.00 0.00 C ATOM 163 CD PRO A 12 31.490 4.744 -4.583 1.00 0.00 C ATOM 0 HA PRO A 12 34.047 4.094 -2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 12 33.888 6.297 -4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.774 4.788 -5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.501 5.091 -6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 12 32.884 3.551 -5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 12 30.903 5.629 -4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.821 3.887 -4.662 1.00 0.00 H new ATOM 171 N SER A 13 33.350 7.260 -2.440 1.00 0.00 N ATOM 172 CA SER A 13 33.756 8.453 -1.690 1.00 0.00 C ATOM 173 C SER A 13 33.882 8.175 -0.188 1.00 0.00 C ATOM 174 O SER A 13 34.704 8.794 0.492 1.00 0.00 O ATOM 175 CB SER A 13 32.766 9.599 -1.930 1.00 0.00 C ATOM 176 OG SER A 13 31.592 9.440 -1.150 1.00 0.00 O ATOM 0 H SER A 13 32.465 7.360 -2.938 1.00 0.00 H new ATOM 0 HA SER A 13 34.741 8.743 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 13 33.241 10.549 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 13 32.500 9.637 -2.986 1.00 0.00 H new ATOM 0 HG SER A 13 31.098 8.652 -1.460 1.00 0.00 H new ATOM 182 N SER A 14 33.067 7.248 0.325 1.00 0.00 N ATOM 183 CA SER A 14 33.089 6.896 1.746 1.00 0.00 C ATOM 184 C SER A 14 34.488 6.472 2.208 1.00 0.00 C ATOM 185 O SER A 14 34.845 6.664 3.373 1.00 0.00 O ATOM 186 CB SER A 14 32.088 5.772 2.030 1.00 0.00 C ATOM 187 OG SER A 14 32.580 4.515 1.595 1.00 0.00 O ATOM 0 H SER A 14 32.383 6.728 -0.225 1.00 0.00 H new ATOM 0 HA SER A 14 32.807 7.787 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 14 31.878 5.732 3.099 1.00 0.00 H new ATOM 0 HB3 SER A 14 31.145 5.988 1.528 1.00 0.00 H new ATOM 0 HG SER A 14 32.557 4.476 0.616 1.00 0.00 H new ATOM 193 N GLY A 15 35.269 5.885 1.298 1.00 0.00 N ATOM 194 CA GLY A 15 36.609 5.434 1.641 1.00 0.00 C ATOM 195 C GLY A 15 36.618 4.013 2.184 1.00 0.00 C ATOM 196 O GLY A 15 37.545 3.622 2.897 1.00 0.00 O ATOM 0 H GLY A 15 34.996 5.715 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.245 5.487 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.038 6.107 2.383 1.00 0.00 H new ATOM 200 N ARG A 16 35.578 3.244 1.847 1.00 0.00 N ATOM 201 CA ARG A 16 35.453 1.861 2.298 1.00 0.00 C ATOM 202 C ARG A 16 35.276 0.928 1.095 1.00 0.00 C ATOM 203 O ARG A 16 34.626 1.301 0.117 1.00 0.00 O ATOM 204 CB ARG A 16 34.256 1.742 3.258 1.00 0.00 C ATOM 205 CG ARG A 16 33.873 0.313 3.622 1.00 0.00 C ATOM 206 CD ARG A 16 34.070 0.045 5.107 1.00 0.00 C ATOM 207 NE ARG A 16 33.114 0.787 5.931 1.00 0.00 N ATOM 208 CZ ARG A 16 33.247 0.973 7.247 1.00 0.00 C ATOM 209 NH1 ARG A 16 34.289 0.467 7.902 1.00 0.00 N ATOM 210 NH2 ARG A 16 32.329 1.669 7.912 1.00 0.00 N ATOM 0 H ARG A 16 34.807 3.562 1.259 1.00 0.00 H new ATOM 0 HA ARG A 16 36.360 1.568 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 16 34.486 2.287 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 16 33.394 2.231 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 16 32.832 0.135 3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 16 34.476 -0.386 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 16 33.963 -1.022 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 16 35.085 0.320 5.393 1.00 0.00 H new ATOM 0 HE ARG A 16 32.296 1.187 5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 16 34.996 -0.069 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 16 34.381 0.615 8.907 1.00 0.00 H new ATOM 0 HH21 ARG A 16 31.527 2.059 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 16 32.427 1.813 8.917 1.00 0.00 H new ATOM 224 N PRO A 17 35.849 -0.295 1.134 1.00 0.00 N ATOM 225 CA PRO A 17 35.725 -1.242 0.020 1.00 0.00 C ATOM 226 C PRO A 17 34.309 -1.810 -0.096 1.00 0.00 C ATOM 227 O PRO A 17 33.663 -2.092 0.916 1.00 0.00 O ATOM 228 CB PRO A 17 36.729 -2.344 0.367 1.00 0.00 C ATOM 229 CG PRO A 17 36.865 -2.288 1.849 1.00 0.00 C ATOM 230 CD PRO A 17 36.655 -0.850 2.244 1.00 0.00 C ATOM 0 HA PRO A 17 35.921 -0.770 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.372 -3.321 0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.687 -2.174 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 17 36.131 -2.934 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.849 -2.636 2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 17 36.133 -0.769 3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.603 -0.322 2.354 1.00 0.00 H new ATOM 238 N PRO A 18 33.802 -1.976 -1.335 1.00 0.00 N ATOM 239 CA PRO A 18 32.452 -2.504 -1.577 1.00 0.00 C ATOM 240 C PRO A 18 32.271 -3.921 -1.022 1.00 0.00 C ATOM 241 O PRO A 18 32.980 -4.845 -1.424 1.00 0.00 O ATOM 242 CB PRO A 18 32.325 -2.507 -3.112 1.00 0.00 C ATOM 243 CG PRO A 18 33.726 -2.438 -3.619 1.00 0.00 C ATOM 244 CD PRO A 18 34.499 -1.659 -2.594 1.00 0.00 C ATOM 0 HA PRO A 18 31.691 -1.903 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.823 -3.408 -3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.738 -1.658 -3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.144 -3.436 -3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.765 -1.949 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.545 -1.962 -2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.483 -0.590 -2.805 1.00 0.00 H new ATOM 252 N PRO A 19 31.314 -4.106 -0.086 1.00 0.00 N ATOM 253 CA PRO A 19 31.036 -5.415 0.529 1.00 0.00 C ATOM 254 C PRO A 19 30.748 -6.504 -0.505 1.00 0.00 C ATOM 255 O PRO A 19 30.312 -6.215 -1.622 1.00 0.00 O ATOM 256 CB PRO A 19 29.783 -5.156 1.377 1.00 0.00 C ATOM 257 CG PRO A 19 29.799 -3.693 1.649 1.00 0.00 C ATOM 258 CD PRO A 19 30.433 -3.052 0.448 1.00 0.00 C ATOM 0 HA PRO A 19 31.893 -5.778 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.878 -5.449 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.807 -5.730 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.789 -3.315 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.365 -3.471 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.686 -2.746 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.996 -2.160 0.721 1.00 0.00 H new ATOM 266 N SER A 20 30.988 -7.757 -0.117 1.00 0.00 N ATOM 267 CA SER A 20 30.751 -8.896 -1.000 1.00 0.00 C ATOM 268 C SER A 20 29.587 -9.746 -0.483 1.00 0.00 C ATOM 269 O SER A 20 29.796 -10.776 0.165 1.00 0.00 O ATOM 270 CB SER A 20 32.020 -9.747 -1.119 1.00 0.00 C ATOM 271 OG SER A 20 33.037 -9.054 -1.823 1.00 0.00 O ATOM 0 H SER A 20 31.347 -8.007 0.804 1.00 0.00 H new ATOM 0 HA SER A 20 30.488 -8.518 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.378 -10.012 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.789 -10.680 -1.633 1.00 0.00 H new ATOM 0 HG SER A 20 33.836 -9.618 -1.883 1.00 0.00 H new ATOM 277 N GLY A 21 28.359 -9.305 -0.767 1.00 0.00 N ATOM 278 CA GLY A 21 27.181 -10.033 -0.319 1.00 0.00 C ATOM 279 C GLY A 21 25.900 -9.536 -0.964 1.00 0.00 C ATOM 280 O GLY A 21 25.468 -10.073 -1.986 1.00 0.00 O ATOM 0 H GLY A 21 28.161 -8.457 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.308 -11.092 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 21 27.095 -9.944 0.764 1.00 0.00 H new TER 284 GLY A 21