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 H2 : 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= 1.16 USER MOD Single : A 14 SER OG : rot -73:sc= 0.756 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0251 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.614 -7.716 -1.346 1.00 0.00 N ATOM 2 CA GLY A -1 24.647 -8.198 -0.372 1.00 0.00 C ATOM 3 C GLY A -1 23.952 -7.069 0.375 1.00 0.00 C ATOM 4 O GLY A -1 23.880 -5.944 -0.125 1.00 0.00 O ATOM 0 H3 GLY A -1 26.057 -8.526 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A -1 23.899 -8.807 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A -1 25.152 -8.846 0.345 1.00 0.00 H new ATOM 8 N ASP A 1 23.439 -7.365 1.576 1.00 0.00 N ATOM 9 CA ASP A 1 22.749 -6.361 2.389 1.00 0.00 C ATOM 10 C ASP A 1 23.700 -5.238 2.810 1.00 0.00 C ATOM 11 O ASP A 1 23.315 -4.066 2.831 1.00 0.00 O ATOM 12 CB ASP A 1 22.129 -7.010 3.630 1.00 0.00 C ATOM 13 CG ASP A 1 21.016 -7.980 3.283 1.00 0.00 C ATOM 14 OD1 ASP A 1 19.860 -7.529 3.130 1.00 0.00 O ATOM 15 OD2 ASP A 1 21.298 -9.191 3.161 1.00 0.00 O ATOM 0 H ASP A 1 23.490 -8.290 2.004 1.00 0.00 H new ATOM 0 HA ASP A 1 21.957 -5.928 1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 1 22.904 -7.536 4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.738 -6.232 4.286 1.00 0.00 H new ATOM 20 N ALA A 2 24.944 -5.602 3.137 1.00 0.00 N ATOM 21 CA ALA A 2 25.953 -4.624 3.549 1.00 0.00 C ATOM 22 C ALA A 2 26.212 -3.593 2.448 1.00 0.00 C ATOM 23 O ALA A 2 26.503 -2.430 2.735 1.00 0.00 O ATOM 24 CB ALA A 2 27.252 -5.323 3.932 1.00 0.00 C ATOM 0 H ALA A 2 25.275 -6.567 3.124 1.00 0.00 H new ATOM 0 HA ALA A 2 25.566 -4.097 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.989 -4.580 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.066 -6.008 4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.631 -5.882 3.076 1.00 0.00 H new ATOM 30 N TYR A 3 26.099 -4.026 1.188 1.00 0.00 N ATOM 31 CA TYR A 3 26.316 -3.141 0.044 1.00 0.00 C ATOM 32 C TYR A 3 25.322 -1.977 0.041 1.00 0.00 C ATOM 33 O TYR A 3 25.659 -0.870 -0.383 1.00 0.00 O ATOM 34 CB TYR A 3 26.210 -3.927 -1.266 1.00 0.00 C ATOM 35 CG TYR A 3 26.735 -3.180 -2.473 1.00 0.00 C ATOM 36 CD1 TYR A 3 28.101 -3.034 -2.685 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.865 -2.621 -3.402 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.583 -2.354 -3.785 1.00 0.00 C ATOM 39 CE2 TYR A 3 26.342 -1.940 -4.505 1.00 0.00 C ATOM 40 CZ TYR A 3 27.700 -1.809 -4.692 1.00 0.00 C ATOM 41 OH TYR A 3 28.179 -1.130 -5.789 1.00 0.00 O ATOM 0 H TYR A 3 25.858 -4.985 0.937 1.00 0.00 H new ATOM 0 HA TYR A 3 27.320 -2.726 0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.760 -4.863 -1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 3 25.166 -4.188 -1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.797 -3.460 -1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.799 -2.721 -3.259 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.647 -2.249 -3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.653 -1.512 -5.218 1.00 0.00 H new ATOM 0 HH TYR A 3 27.427 -0.809 -6.329 1.00 0.00 H new ATOM 51 N ALA A 4 24.100 -2.232 0.522 1.00 0.00 N ATOM 52 CA ALA A 4 23.066 -1.199 0.579 1.00 0.00 C ATOM 53 C ALA A 4 23.527 -0.013 1.428 1.00 0.00 C ATOM 54 O ALA A 4 23.410 1.140 1.010 1.00 0.00 O ATOM 55 CB ALA A 4 21.765 -1.773 1.126 1.00 0.00 C ATOM 0 H ALA A 4 23.806 -3.142 0.876 1.00 0.00 H new ATOM 0 HA ALA A 4 22.887 -0.842 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 4 21.008 -0.990 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.423 -2.580 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.932 -2.161 2.131 1.00 0.00 H new ATOM 61 N GLN A 5 24.068 -0.309 2.614 1.00 0.00 N ATOM 62 CA GLN A 5 24.565 0.729 3.517 1.00 0.00 C ATOM 63 C GLN A 5 25.816 1.392 2.942 1.00 0.00 C ATOM 64 O GLN A 5 26.009 2.600 3.088 1.00 0.00 O ATOM 65 CB GLN A 5 24.877 0.139 4.895 1.00 0.00 C ATOM 66 CG GLN A 5 23.637 -0.223 5.700 1.00 0.00 C ATOM 67 CD GLN A 5 23.746 -1.587 6.358 1.00 0.00 C ATOM 68 OE1 GLN A 5 24.180 -1.700 7.504 1.00 0.00 O ATOM 69 NE2 GLN A 5 23.355 -2.631 5.633 1.00 0.00 N ATOM 0 H GLN A 5 24.172 -1.259 2.969 1.00 0.00 H new ATOM 0 HA GLN A 5 23.786 1.484 3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.490 -0.753 4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.471 0.856 5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 5 23.472 0.534 6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 5 22.766 -0.208 5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 5 23.001 -2.491 4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 5 23.409 -3.572 6.023 1.00 0.00 H new ATOM 78 N TRP A 6 26.654 0.591 2.280 1.00 0.00 N ATOM 79 CA TRP A 6 27.884 1.090 1.668 1.00 0.00 C ATOM 80 C TRP A 6 27.573 2.166 0.626 1.00 0.00 C ATOM 81 O TRP A 6 28.255 3.191 0.561 1.00 0.00 O ATOM 82 CB TRP A 6 28.658 -0.067 1.028 1.00 0.00 C ATOM 83 CG TRP A 6 29.961 0.342 0.411 1.00 0.00 C ATOM 84 CD1 TRP A 6 31.120 0.648 1.063 1.00 0.00 C ATOM 85 CD2 TRP A 6 30.235 0.488 -0.985 1.00 0.00 C ATOM 86 NE1 TRP A 6 32.097 0.978 0.156 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.578 0.887 -1.109 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.473 0.319 -2.142 1.00 0.00 C ATOM 89 CZ2 TRP A 6 32.173 1.120 -2.345 1.00 0.00 C ATOM 90 CZ3 TRP A 6 30.066 0.552 -3.368 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.405 0.948 -3.459 1.00 0.00 C ATOM 0 H TRP A 6 26.501 -0.410 2.155 1.00 0.00 H new ATOM 0 HA TRP A 6 28.501 1.540 2.446 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.849 -0.827 1.786 1.00 0.00 H new ATOM 0 HB3 TRP A 6 28.034 -0.529 0.263 1.00 0.00 H new ATOM 0 HD1 TRP A 6 31.250 0.633 2.135 1.00 0.00 H new ATOM 0 HE1 TRP A 6 33.053 1.247 0.386 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.439 0.012 -2.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.206 1.426 -2.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.487 0.426 -4.271 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.840 1.121 -4.432 1.00 0.00 H new ATOM 102 N LEU A 7 26.528 1.934 -0.175 1.00 0.00 N ATOM 103 CA LEU A 7 26.115 2.893 -1.200 1.00 0.00 C ATOM 104 C LEU A 7 25.571 4.166 -0.553 1.00 0.00 C ATOM 105 O LEU A 7 25.840 5.273 -1.022 1.00 0.00 O ATOM 106 CB LEU A 7 25.043 2.282 -2.111 1.00 0.00 C ATOM 107 CG LEU A 7 25.566 1.399 -3.250 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.407 0.726 -3.970 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.409 2.207 -4.234 1.00 0.00 C ATOM 0 H LEU A 7 25.955 1.091 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 7 26.990 3.143 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.365 1.689 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.455 3.091 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 7 26.205 0.630 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.793 0.102 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.852 0.107 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.745 1.487 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.765 1.553 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 7 25.802 3.004 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.262 2.641 -3.712 1.00 0.00 H new ATOM 121 N ALA A 8 24.809 3.996 0.533 1.00 0.00 N ATOM 122 CA ALA A 8 24.227 5.124 1.260 1.00 0.00 C ATOM 123 C ALA A 8 25.308 6.045 1.827 1.00 0.00 C ATOM 124 O ALA A 8 25.084 7.246 1.989 1.00 0.00 O ATOM 125 CB ALA A 8 23.323 4.625 2.376 1.00 0.00 C ATOM 0 H ALA A 8 24.582 3.083 0.927 1.00 0.00 H new ATOM 0 HA ALA A 8 23.633 5.703 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.898 5.476 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.519 4.024 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.903 4.017 3.070 1.00 0.00 H new ATOM 131 N ASP A 9 26.482 5.477 2.124 1.00 0.00 N ATOM 132 CA ASP A 9 27.599 6.250 2.668 1.00 0.00 C ATOM 133 C ASP A 9 28.396 6.959 1.561 1.00 0.00 C ATOM 134 O ASP A 9 29.449 7.542 1.828 1.00 0.00 O ATOM 135 CB ASP A 9 28.527 5.337 3.477 1.00 0.00 C ATOM 136 CG ASP A 9 29.149 6.051 4.662 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.506 6.096 5.731 1.00 0.00 O ATOM 138 OD2 ASP A 9 30.278 6.566 4.520 1.00 0.00 O ATOM 0 H ASP A 9 26.681 4.485 1.996 1.00 0.00 H new ATOM 0 HA ASP A 9 27.182 7.017 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.965 4.473 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.317 4.959 2.828 1.00 0.00 H new ATOM 143 N GLY A 10 27.888 6.914 0.324 1.00 0.00 N ATOM 144 CA GLY A 10 28.565 7.561 -0.789 1.00 0.00 C ATOM 145 C GLY A 10 29.328 6.588 -1.677 1.00 0.00 C ATOM 146 O GLY A 10 30.072 7.016 -2.563 1.00 0.00 O ATOM 0 H GLY A 10 27.019 6.440 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.830 8.093 -1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.258 8.307 -0.400 1.00 0.00 H new ATOM 150 N GLY A 11 29.150 5.282 -1.450 1.00 0.00 N ATOM 151 CA GLY A 11 29.842 4.290 -2.253 1.00 0.00 C ATOM 152 C GLY A 11 31.353 4.391 -2.107 1.00 0.00 C ATOM 153 O GLY A 11 31.853 4.463 -0.987 1.00 0.00 O ATOM 0 H GLY A 11 28.541 4.900 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.515 3.293 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.570 4.418 -3.301 1.00 0.00 H new ATOM 157 N PRO A 12 32.117 4.405 -3.222 1.00 0.00 N ATOM 158 CA PRO A 12 33.585 4.508 -3.174 1.00 0.00 C ATOM 159 C PRO A 12 34.077 5.660 -2.290 1.00 0.00 C ATOM 160 O PRO A 12 35.087 5.528 -1.596 1.00 0.00 O ATOM 161 CB PRO A 12 33.968 4.768 -4.636 1.00 0.00 C ATOM 162 CG PRO A 12 32.870 4.157 -5.430 1.00 0.00 C ATOM 163 CD PRO A 12 31.617 4.317 -4.611 1.00 0.00 C ATOM 0 HA PRO A 12 34.034 3.613 -2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 12 34.056 5.835 -4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.930 4.317 -4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.768 4.650 -6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 12 33.073 3.105 -5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 12 31.064 5.212 -4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.942 3.471 -4.741 1.00 0.00 H new ATOM 171 N SER A 13 33.363 6.791 -2.332 1.00 0.00 N ATOM 172 CA SER A 13 33.730 7.973 -1.546 1.00 0.00 C ATOM 173 C SER A 13 33.631 7.726 -0.036 1.00 0.00 C ATOM 174 O SER A 13 34.309 8.396 0.746 1.00 0.00 O ATOM 175 CB SER A 13 32.847 9.164 -1.937 1.00 0.00 C ATOM 176 OG SER A 13 31.543 9.041 -1.394 1.00 0.00 O ATOM 0 H SER A 13 32.527 6.912 -2.903 1.00 0.00 H new ATOM 0 HA SER A 13 34.773 8.196 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 13 33.304 10.089 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 13 32.786 9.232 -3.023 1.00 0.00 H new ATOM 0 HG SER A 13 31.041 8.366 -1.898 1.00 0.00 H new ATOM 182 N SER A 14 32.787 6.770 0.370 1.00 0.00 N ATOM 183 CA SER A 14 32.604 6.443 1.785 1.00 0.00 C ATOM 184 C SER A 14 33.941 6.231 2.499 1.00 0.00 C ATOM 185 O SER A 14 34.097 6.609 3.661 1.00 0.00 O ATOM 186 CB SER A 14 31.734 5.191 1.927 1.00 0.00 C ATOM 187 OG SER A 14 32.437 4.026 1.531 1.00 0.00 O ATOM 0 H SER A 14 32.219 6.209 -0.265 1.00 0.00 H new ATOM 0 HA SER A 14 32.106 7.291 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 14 31.409 5.087 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 14 30.835 5.300 1.320 1.00 0.00 H new ATOM 0 HG SER A 14 32.520 4.010 0.555 1.00 0.00 H new ATOM 193 N GLY A 15 34.900 5.622 1.796 1.00 0.00 N ATOM 194 CA GLY A 15 36.207 5.366 2.378 1.00 0.00 C ATOM 195 C GLY A 15 36.357 3.941 2.887 1.00 0.00 C ATOM 196 O GLY A 15 37.212 3.669 3.731 1.00 0.00 O ATOM 0 H GLY A 15 34.792 5.302 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 15 36.977 5.563 1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.375 6.060 3.201 1.00 0.00 H new ATOM 200 N ARG A 16 35.524 3.031 2.375 1.00 0.00 N ATOM 201 CA ARG A 16 35.567 1.628 2.779 1.00 0.00 C ATOM 202 C ARG A 16 35.400 0.713 1.566 1.00 0.00 C ATOM 203 O ARG A 16 34.854 1.125 0.540 1.00 0.00 O ATOM 204 CB ARG A 16 34.479 1.325 3.821 1.00 0.00 C ATOM 205 CG ARG A 16 33.254 2.225 3.722 1.00 0.00 C ATOM 206 CD ARG A 16 32.293 1.998 4.880 1.00 0.00 C ATOM 207 NE ARG A 16 31.735 0.643 4.879 1.00 0.00 N ATOM 208 CZ ARG A 16 30.450 0.353 5.117 1.00 0.00 C ATOM 209 NH1 ARG A 16 29.575 1.316 5.400 1.00 0.00 N ATOM 210 NH2 ARG A 16 30.041 -0.910 5.078 1.00 0.00 N ATOM 0 H ARG A 16 34.811 3.244 1.678 1.00 0.00 H new ATOM 0 HA ARG A 16 36.541 1.438 3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 16 34.164 0.287 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 16 34.909 1.423 4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.569 3.268 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.739 2.037 2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 16 32.813 2.174 5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 16 31.481 2.723 4.824 1.00 0.00 H new ATOM 0 HE ARG A 16 32.369 -0.132 4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 16 29.881 2.288 5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 16 28.599 1.081 5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 16 30.705 -1.655 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 16 29.063 -1.135 5.259 1.00 0.00 H new ATOM 224 N PRO A 17 35.871 -0.547 1.662 1.00 0.00 N ATOM 225 CA PRO A 17 35.767 -1.511 0.563 1.00 0.00 C ATOM 226 C PRO A 17 34.337 -2.020 0.370 1.00 0.00 C ATOM 227 O PRO A 17 33.629 -2.277 1.347 1.00 0.00 O ATOM 228 CB PRO A 17 36.687 -2.651 1.005 1.00 0.00 C ATOM 229 CG PRO A 17 36.688 -2.581 2.494 1.00 0.00 C ATOM 230 CD PRO A 17 36.541 -1.126 2.846 1.00 0.00 C ATOM 0 HA PRO A 17 36.042 -1.070 -0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.319 -3.615 0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.692 -2.527 0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 17 35.869 -3.167 2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.613 -2.989 2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 17 35.946 -0.990 3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.508 -0.658 3.028 1.00 0.00 H new ATOM 238 N PRO A 18 33.890 -2.171 -0.894 1.00 0.00 N ATOM 239 CA PRO A 18 32.536 -2.652 -1.205 1.00 0.00 C ATOM 240 C PRO A 18 32.307 -4.085 -0.712 1.00 0.00 C ATOM 241 O PRO A 18 32.905 -5.025 -1.235 1.00 0.00 O ATOM 242 CB PRO A 18 32.468 -2.597 -2.742 1.00 0.00 C ATOM 243 CG PRO A 18 33.889 -2.588 -3.193 1.00 0.00 C ATOM 244 CD PRO A 18 34.667 -1.887 -2.115 1.00 0.00 C ATOM 0 HA PRO A 18 31.771 -2.050 -0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.932 -3.457 -3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.941 -1.706 -3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.257 -3.603 -3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.991 -2.070 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.685 -2.269 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.741 -0.816 -2.304 1.00 0.00 H new ATOM 252 N PRO A 19 31.437 -4.271 0.307 1.00 0.00 N ATOM 253 CA PRO A 19 31.134 -5.598 0.866 1.00 0.00 C ATOM 254 C PRO A 19 30.311 -6.462 -0.097 1.00 0.00 C ATOM 255 O PRO A 19 29.141 -6.754 0.163 1.00 0.00 O ATOM 256 CB PRO A 19 30.317 -5.297 2.141 1.00 0.00 C ATOM 257 CG PRO A 19 30.363 -3.816 2.329 1.00 0.00 C ATOM 258 CD PRO A 19 30.689 -3.211 0.994 1.00 0.00 C ATOM 0 HA PRO A 19 32.046 -6.163 1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.289 -5.644 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.739 -5.812 3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.407 -3.445 2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.116 -3.545 3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.787 -2.938 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.285 -2.304 1.100 1.00 0.00 H new ATOM 266 N SER A 20 30.938 -6.877 -1.204 1.00 0.00 N ATOM 267 CA SER A 20 30.275 -7.717 -2.212 1.00 0.00 C ATOM 268 C SER A 20 28.885 -7.173 -2.576 1.00 0.00 C ATOM 269 O SER A 20 28.594 -5.996 -2.356 1.00 0.00 O ATOM 270 CB SER A 20 30.173 -9.152 -1.691 1.00 0.00 C ATOM 271 OG SER A 20 30.210 -10.088 -2.755 1.00 0.00 O ATOM 0 H SER A 20 31.906 -6.645 -1.426 1.00 0.00 H new ATOM 0 HA SER A 20 30.875 -7.703 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 20 30.993 -9.350 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 20 29.247 -9.273 -1.129 1.00 0.00 H new ATOM 0 HG SER A 20 30.145 -10.997 -2.394 1.00 0.00 H new ATOM 277 N GLY A 21 28.034 -8.035 -3.136 1.00 0.00 N ATOM 278 CA GLY A 21 26.692 -7.623 -3.514 1.00 0.00 C ATOM 279 C GLY A 21 25.635 -8.197 -2.591 1.00 0.00 C ATOM 280 O GLY A 21 24.858 -9.065 -2.993 1.00 0.00 O ATOM 0 H GLY A 21 28.252 -9.012 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.631 -6.535 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 21 26.491 -7.942 -4.537 1.00 0.00 H new TER 284 GLY A 21