USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, 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 NoAdj-H: A -1 GLY H3 : 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) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -75:sc= 1.22 USER MOD Single : A 14 SER OG : rot -86:sc= 1.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.419 -9.528 -0.184 1.00 0.00 N ATOM 2 CA GLY A -1 24.703 -9.159 1.022 1.00 0.00 C ATOM 3 C GLY A -1 24.099 -7.767 0.938 1.00 0.00 C ATOM 4 O GLY A -1 24.357 -7.026 -0.013 1.00 0.00 O ATOM 0 H2 GLY A -1 25.811 -10.485 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A -1 23.911 -9.885 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A -1 25.383 -9.206 1.873 1.00 0.00 H new ATOM 8 N ASP A 1 23.294 -7.411 1.939 1.00 0.00 N ATOM 9 CA ASP A 1 22.647 -6.098 1.985 1.00 0.00 C ATOM 10 C ASP A 1 23.633 -4.981 2.361 1.00 0.00 C ATOM 11 O ASP A 1 23.262 -3.806 2.376 1.00 0.00 O ATOM 12 CB ASP A 1 21.481 -6.113 2.979 1.00 0.00 C ATOM 13 CG ASP A 1 20.349 -7.017 2.529 1.00 0.00 C ATOM 14 OD1 ASP A 1 19.486 -6.548 1.756 1.00 0.00 O ATOM 15 OD2 ASP A 1 20.324 -8.193 2.949 1.00 0.00 O ATOM 0 H ASP A 1 23.073 -8.015 2.731 1.00 0.00 H new ATOM 0 HA ASP A 1 22.272 -5.889 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 1 21.842 -6.444 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.103 -5.099 3.107 1.00 0.00 H new ATOM 20 N ALA A 2 24.887 -5.346 2.662 1.00 0.00 N ATOM 21 CA ALA A 2 25.909 -4.364 3.032 1.00 0.00 C ATOM 22 C ALA A 2 26.122 -3.329 1.924 1.00 0.00 C ATOM 23 O ALA A 2 26.426 -2.170 2.206 1.00 0.00 O ATOM 24 CB ALA A 2 27.224 -5.058 3.366 1.00 0.00 C ATOM 0 H ALA A 2 25.215 -6.312 2.656 1.00 0.00 H new ATOM 0 HA ALA A 2 25.553 -3.838 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.970 -4.312 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.073 -5.742 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.571 -5.618 2.497 1.00 0.00 H new ATOM 30 N TYR A 3 25.957 -3.753 0.665 1.00 0.00 N ATOM 31 CA TYR A 3 26.125 -2.855 -0.479 1.00 0.00 C ATOM 32 C TYR A 3 25.147 -1.683 -0.408 1.00 0.00 C ATOM 33 O TYR A 3 25.502 -0.553 -0.747 1.00 0.00 O ATOM 34 CB TYR A 3 25.940 -3.617 -1.795 1.00 0.00 C ATOM 35 CG TYR A 3 26.409 -2.849 -3.010 1.00 0.00 C ATOM 36 CD1 TYR A 3 27.764 -2.705 -3.288 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.496 -2.263 -3.879 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.193 -1.999 -4.396 1.00 0.00 C ATOM 39 CE2 TYR A 3 25.918 -1.558 -4.988 1.00 0.00 C ATOM 40 CZ TYR A 3 27.267 -1.428 -5.242 1.00 0.00 C ATOM 41 OH TYR A 3 27.690 -0.725 -6.346 1.00 0.00 O ATOM 0 H TYR A 3 25.708 -4.710 0.415 1.00 0.00 H new ATOM 0 HA TYR A 3 27.139 -2.457 -0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.484 -4.560 -1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 3 24.885 -3.865 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.492 -3.152 -2.628 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.438 -2.361 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.249 -1.895 -4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.195 -1.110 -5.654 1.00 0.00 H new ATOM 0 HH TYR A 3 26.912 -0.388 -6.837 1.00 0.00 H new ATOM 51 N ALA A 4 23.920 -1.955 0.046 1.00 0.00 N ATOM 52 CA ALA A 4 22.902 -0.914 0.178 1.00 0.00 C ATOM 53 C ALA A 4 23.384 0.188 1.119 1.00 0.00 C ATOM 54 O ALA A 4 23.221 1.376 0.833 1.00 0.00 O ATOM 55 CB ALA A 4 21.591 -1.508 0.679 1.00 0.00 C ATOM 0 H ALA A 4 23.610 -2.885 0.327 1.00 0.00 H new ATOM 0 HA ALA A 4 22.728 -0.477 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.845 -0.718 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.238 -2.259 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.750 -1.972 1.652 1.00 0.00 H new ATOM 61 N GLN A 5 23.997 -0.218 2.235 1.00 0.00 N ATOM 62 CA GLN A 5 24.527 0.726 3.215 1.00 0.00 C ATOM 63 C GLN A 5 25.770 1.431 2.670 1.00 0.00 C ATOM 64 O GLN A 5 25.992 2.612 2.944 1.00 0.00 O ATOM 65 CB GLN A 5 24.868 0.007 4.526 1.00 0.00 C ATOM 66 CG GLN A 5 24.011 0.446 5.702 1.00 0.00 C ATOM 67 CD GLN A 5 24.267 -0.379 6.950 1.00 0.00 C ATOM 68 OE1 GLN A 5 23.477 -1.256 7.300 1.00 0.00 O ATOM 69 NE2 GLN A 5 25.377 -0.103 7.629 1.00 0.00 N ATOM 0 H GLN A 5 24.137 -1.198 2.480 1.00 0.00 H new ATOM 0 HA GLN A 5 23.759 1.474 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 5 24.750 -1.067 4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.917 0.184 4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 5 24.208 1.496 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 5 22.959 0.368 5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 5 26.004 0.632 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 5 25.601 -0.627 8.475 1.00 0.00 H new ATOM 78 N TRP A 6 26.571 0.697 1.893 1.00 0.00 N ATOM 79 CA TRP A 6 27.788 1.242 1.294 1.00 0.00 C ATOM 80 C TRP A 6 27.463 2.446 0.411 1.00 0.00 C ATOM 81 O TRP A 6 28.096 3.498 0.528 1.00 0.00 O ATOM 82 CB TRP A 6 28.506 0.162 0.475 1.00 0.00 C ATOM 83 CG TRP A 6 29.798 0.626 -0.128 1.00 0.00 C ATOM 84 CD1 TRP A 6 30.944 0.948 0.537 1.00 0.00 C ATOM 85 CD2 TRP A 6 30.073 0.821 -1.520 1.00 0.00 C ATOM 86 NE1 TRP A 6 31.913 1.336 -0.355 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.404 1.265 -1.625 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.323 0.664 -2.689 1.00 0.00 C ATOM 89 CZ2 TRP A 6 31.998 1.553 -2.850 1.00 0.00 C ATOM 90 CZ3 TRP A 6 29.916 0.949 -3.904 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.244 1.390 -3.975 1.00 0.00 C ATOM 0 H TRP A 6 26.395 -0.281 1.664 1.00 0.00 H new ATOM 0 HA TRP A 6 28.448 1.572 2.096 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.702 -0.698 1.116 1.00 0.00 H new ATOM 0 HB3 TRP A 6 27.844 -0.178 -0.322 1.00 0.00 H new ATOM 0 HD1 TRP A 6 31.071 0.904 1.609 1.00 0.00 H new ATOM 0 HE1 TRP A 6 32.859 1.630 -0.111 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.298 0.326 -2.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.021 1.894 -2.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.347 0.830 -4.814 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.679 1.605 -4.940 1.00 0.00 H new ATOM 102 N LEU A 7 26.465 2.289 -0.462 1.00 0.00 N ATOM 103 CA LEU A 7 26.041 3.366 -1.355 1.00 0.00 C ATOM 104 C LEU A 7 25.473 4.538 -0.554 1.00 0.00 C ATOM 105 O LEU A 7 25.728 5.699 -0.875 1.00 0.00 O ATOM 106 CB LEU A 7 24.991 2.860 -2.349 1.00 0.00 C ATOM 107 CG LEU A 7 25.491 1.840 -3.379 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.326 1.293 -4.190 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.537 2.459 -4.300 1.00 0.00 C ATOM 0 H LEU A 7 25.935 1.424 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 7 26.915 3.709 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.172 2.411 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.579 3.717 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 7 25.961 1.017 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.696 0.570 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.616 0.805 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.830 2.111 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.874 1.714 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.100 3.305 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.386 2.802 -3.708 1.00 0.00 H new ATOM 121 N ALA A 8 24.706 4.221 0.495 1.00 0.00 N ATOM 122 CA ALA A 8 24.104 5.241 1.352 1.00 0.00 C ATOM 123 C ALA A 8 25.170 6.052 2.094 1.00 0.00 C ATOM 124 O ALA A 8 24.961 7.227 2.401 1.00 0.00 O ATOM 125 CB ALA A 8 23.144 4.602 2.341 1.00 0.00 C ATOM 0 H ALA A 8 24.489 3.263 0.769 1.00 0.00 H new ATOM 0 HA ALA A 8 23.549 5.927 0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.704 5.374 2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.354 4.083 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.684 3.889 2.964 1.00 0.00 H new ATOM 131 N ASP A 9 26.314 5.419 2.376 1.00 0.00 N ATOM 132 CA ASP A 9 27.413 6.085 3.078 1.00 0.00 C ATOM 133 C ASP A 9 28.242 6.969 2.133 1.00 0.00 C ATOM 134 O ASP A 9 29.179 7.637 2.572 1.00 0.00 O ATOM 135 CB ASP A 9 28.317 5.049 3.755 1.00 0.00 C ATOM 136 CG ASP A 9 28.911 5.560 5.055 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.231 5.460 6.097 1.00 0.00 O ATOM 138 OD2 ASP A 9 30.055 6.060 5.028 1.00 0.00 O ATOM 0 H ASP A 9 26.501 4.447 2.129 1.00 0.00 H new ATOM 0 HA ASP A 9 26.972 6.731 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.743 4.144 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.123 4.774 3.074 1.00 0.00 H new ATOM 143 N GLY A 10 27.891 6.977 0.840 1.00 0.00 N ATOM 144 CA GLY A 10 28.613 7.791 -0.126 1.00 0.00 C ATOM 145 C GLY A 10 29.330 6.980 -1.198 1.00 0.00 C ATOM 146 O GLY A 10 29.977 7.556 -2.074 1.00 0.00 O ATOM 0 H GLY A 10 27.121 6.434 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.913 8.474 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.343 8.404 0.403 1.00 0.00 H new ATOM 150 N GLY A 11 29.224 5.647 -1.138 1.00 0.00 N ATOM 151 CA GLY A 11 29.882 4.807 -2.123 1.00 0.00 C ATOM 152 C GLY A 11 31.397 4.928 -2.062 1.00 0.00 C ATOM 153 O GLY A 11 31.966 4.956 -0.972 1.00 0.00 O ATOM 0 H GLY A 11 28.696 5.141 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.596 3.768 -1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.537 5.081 -3.120 1.00 0.00 H new ATOM 157 N PRO A 12 32.084 5.004 -3.221 1.00 0.00 N ATOM 158 CA PRO A 12 33.550 5.128 -3.268 1.00 0.00 C ATOM 159 C PRO A 12 34.088 6.254 -2.375 1.00 0.00 C ATOM 160 O PRO A 12 35.148 6.113 -1.764 1.00 0.00 O ATOM 161 CB PRO A 12 33.832 5.445 -4.742 1.00 0.00 C ATOM 162 CG PRO A 12 32.685 4.855 -5.484 1.00 0.00 C ATOM 163 CD PRO A 12 31.491 4.970 -4.575 1.00 0.00 C ATOM 0 HA PRO A 12 34.037 4.224 -2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 12 33.900 6.520 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.778 5.011 -5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.513 5.386 -6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 12 32.881 3.813 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 12 30.915 5.872 -4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.814 4.124 -4.695 1.00 0.00 H new ATOM 171 N SER A 13 33.356 7.372 -2.315 1.00 0.00 N ATOM 172 CA SER A 13 33.765 8.528 -1.509 1.00 0.00 C ATOM 173 C SER A 13 33.798 8.207 -0.010 1.00 0.00 C ATOM 174 O SER A 13 34.591 8.793 0.731 1.00 0.00 O ATOM 175 CB SER A 13 32.831 9.717 -1.768 1.00 0.00 C ATOM 176 OG SER A 13 31.593 9.560 -1.095 1.00 0.00 O ATOM 0 H SER A 13 32.477 7.501 -2.815 1.00 0.00 H new ATOM 0 HA SER A 13 34.779 8.788 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 13 33.312 10.638 -1.438 1.00 0.00 H new ATOM 0 HB3 SER A 13 32.654 9.816 -2.839 1.00 0.00 H new ATOM 0 HG SER A 13 31.046 8.897 -1.566 1.00 0.00 H new ATOM 182 N SER A 14 32.939 7.283 0.433 1.00 0.00 N ATOM 183 CA SER A 14 32.876 6.894 1.843 1.00 0.00 C ATOM 184 C SER A 14 34.245 6.446 2.367 1.00 0.00 C ATOM 185 O SER A 14 34.557 6.639 3.543 1.00 0.00 O ATOM 186 CB SER A 14 31.851 5.770 2.041 1.00 0.00 C ATOM 187 OG SER A 14 32.369 4.515 1.632 1.00 0.00 O ATOM 0 H SER A 14 32.277 6.791 -0.167 1.00 0.00 H new ATOM 0 HA SER A 14 32.566 7.771 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 14 31.562 5.721 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 14 30.949 5.995 1.472 1.00 0.00 H new ATOM 0 HG SER A 14 32.219 4.397 0.671 1.00 0.00 H new ATOM 193 N GLY A 15 35.051 5.841 1.491 1.00 0.00 N ATOM 194 CA GLY A 15 36.368 5.367 1.886 1.00 0.00 C ATOM 195 C GLY A 15 36.342 3.937 2.403 1.00 0.00 C ATOM 196 O GLY A 15 37.246 3.518 3.126 1.00 0.00 O ATOM 0 H GLY A 15 34.813 5.672 0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.044 5.429 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.769 6.022 2.659 1.00 0.00 H new ATOM 200 N ARG A 16 35.301 3.189 2.026 1.00 0.00 N ATOM 201 CA ARG A 16 35.146 1.801 2.447 1.00 0.00 C ATOM 202 C ARG A 16 35.061 0.884 1.222 1.00 0.00 C ATOM 203 O ARG A 16 34.531 1.288 0.186 1.00 0.00 O ATOM 204 CB ARG A 16 33.879 1.664 3.303 1.00 0.00 C ATOM 205 CG ARG A 16 33.706 0.298 3.945 1.00 0.00 C ATOM 206 CD ARG A 16 32.612 0.311 5.003 1.00 0.00 C ATOM 207 NE ARG A 16 31.514 -0.604 4.673 1.00 0.00 N ATOM 208 CZ ARG A 16 31.531 -1.917 4.926 1.00 0.00 C ATOM 209 NH1 ARG A 16 32.582 -2.481 5.515 1.00 0.00 N ATOM 210 NH2 ARG A 16 30.488 -2.669 4.586 1.00 0.00 N ATOM 0 H ARG A 16 34.550 3.528 1.425 1.00 0.00 H new ATOM 0 HA ARG A 16 36.012 1.506 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 16 33.900 2.421 4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 16 33.009 1.873 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.462 -0.437 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 16 34.647 -0.014 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 16 33.038 0.033 5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 16 32.221 1.323 5.107 1.00 0.00 H new ATOM 0 HE ARG A 16 30.686 -0.214 4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 16 33.386 -1.911 5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 16 32.584 -3.483 5.703 1.00 0.00 H new ATOM 0 HH21 ARG A 16 29.679 -2.244 4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 16 30.498 -3.671 4.777 1.00 0.00 H new ATOM 224 N PRO A 17 35.579 -0.362 1.307 1.00 0.00 N ATOM 225 CA PRO A 17 35.534 -1.295 0.179 1.00 0.00 C ATOM 226 C PRO A 17 34.127 -1.854 -0.045 1.00 0.00 C ATOM 227 O PRO A 17 33.444 -2.229 0.911 1.00 0.00 O ATOM 228 CB PRO A 17 36.502 -2.404 0.591 1.00 0.00 C ATOM 229 CG PRO A 17 36.502 -2.383 2.081 1.00 0.00 C ATOM 230 CD PRO A 17 36.242 -0.956 2.490 1.00 0.00 C ATOM 0 HA PRO A 17 35.803 -0.817 -0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.178 -3.372 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.501 -2.224 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 17 35.734 -3.046 2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.457 -2.731 2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 17 35.606 -0.903 3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.168 -0.435 2.733 1.00 0.00 H new ATOM 238 N PRO A 18 33.669 -1.910 -1.315 1.00 0.00 N ATOM 239 CA PRO A 18 32.332 -2.419 -1.652 1.00 0.00 C ATOM 240 C PRO A 18 32.164 -3.895 -1.280 1.00 0.00 C ATOM 241 O PRO A 18 32.854 -4.762 -1.820 1.00 0.00 O ATOM 242 CB PRO A 18 32.240 -2.232 -3.177 1.00 0.00 C ATOM 243 CG PRO A 18 33.652 -2.121 -3.639 1.00 0.00 C ATOM 244 CD PRO A 18 34.410 -1.477 -2.514 1.00 0.00 C ATOM 0 HA PRO A 18 31.549 -1.895 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.736 -3.076 -3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.670 -1.338 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.063 -3.103 -3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.719 -1.522 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.448 -1.808 -2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.424 -0.391 -2.608 1.00 0.00 H new ATOM 252 N PRO A 19 31.238 -4.195 -0.343 1.00 0.00 N ATOM 253 CA PRO A 19 30.972 -5.570 0.111 1.00 0.00 C ATOM 254 C PRO A 19 30.718 -6.536 -1.046 1.00 0.00 C ATOM 255 O PRO A 19 30.195 -6.144 -2.092 1.00 0.00 O ATOM 256 CB PRO A 19 29.705 -5.421 0.964 1.00 0.00 C ATOM 257 CG PRO A 19 29.739 -4.015 1.447 1.00 0.00 C ATOM 258 CD PRO A 19 30.382 -3.213 0.349 1.00 0.00 C ATOM 0 HA PRO A 19 31.824 -5.989 0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.807 -5.617 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.702 -6.126 1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.734 -3.651 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.308 -3.935 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.638 -2.786 -0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.966 -2.383 0.748 1.00 0.00 H new ATOM 266 N SER A 20 31.090 -7.800 -0.847 1.00 0.00 N ATOM 267 CA SER A 20 30.905 -8.829 -1.868 1.00 0.00 C ATOM 268 C SER A 20 29.761 -9.773 -1.493 1.00 0.00 C ATOM 269 O SER A 20 29.989 -10.853 -0.942 1.00 0.00 O ATOM 270 CB SER A 20 32.203 -9.620 -2.061 1.00 0.00 C ATOM 271 OG SER A 20 33.174 -8.849 -2.750 1.00 0.00 O ATOM 0 H SER A 20 31.522 -8.136 0.014 1.00 0.00 H new ATOM 0 HA SER A 20 30.646 -8.337 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.596 -9.922 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.996 -10.533 -2.619 1.00 0.00 H new ATOM 0 HG SER A 20 33.993 -9.376 -2.859 1.00 0.00 H new ATOM 277 N GLY A 21 28.527 -9.356 -1.792 1.00 0.00 N ATOM 278 CA GLY A 21 27.365 -10.173 -1.479 1.00 0.00 C ATOM 279 C GLY A 21 26.726 -9.797 -0.155 1.00 0.00 C ATOM 280 O GLY A 21 27.401 -9.752 0.875 1.00 0.00 O ATOM 0 H GLY A 21 28.314 -8.467 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.628 -10.070 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 21 27.660 -11.222 -1.451 1.00 0.00 H new TER 284 GLY A 21