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= -0.0554 X(o=-0.055,f=0) USER MOD Single : A -1 GLY N :NH3+ 180:sc= -0.0986 (180deg=-0.0986) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -83:sc= 1.33 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.158 -8.237 -1.072 1.00 0.00 N ATOM 2 CA GLY A -1 24.347 -8.444 0.114 1.00 0.00 C ATOM 3 C GLY A -1 23.824 -7.141 0.701 1.00 0.00 C ATOM 4 O GLY A -1 23.863 -6.099 0.044 1.00 0.00 O ATOM 0 H3 GLY A -1 25.489 -9.155 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A -1 23.505 -9.090 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A -1 24.938 -8.966 0.867 1.00 0.00 H new ATOM 8 N ASP A 1 23.332 -7.202 1.940 1.00 0.00 N ATOM 9 CA ASP A 1 22.795 -6.020 2.620 1.00 0.00 C ATOM 10 C ASP A 1 23.881 -4.971 2.885 1.00 0.00 C ATOM 11 O ASP A 1 23.602 -3.771 2.883 1.00 0.00 O ATOM 12 CB ASP A 1 22.124 -6.420 3.940 1.00 0.00 C ATOM 13 CG ASP A 1 23.098 -7.033 4.932 1.00 0.00 C ATOM 14 OD1 ASP A 1 23.344 -8.256 4.845 1.00 0.00 O ATOM 15 OD2 ASP A 1 23.614 -6.292 5.795 1.00 0.00 O ATOM 0 H ASP A 1 23.294 -8.058 2.494 1.00 0.00 H new ATOM 0 HA ASP A 1 22.053 -5.574 1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 1 21.661 -5.541 4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.325 -7.132 3.735 1.00 0.00 H new ATOM 20 N ALA A 2 25.115 -5.431 3.117 1.00 0.00 N ATOM 21 CA ALA A 2 26.240 -4.531 3.387 1.00 0.00 C ATOM 22 C ALA A 2 26.431 -3.510 2.264 1.00 0.00 C ATOM 23 O ALA A 2 26.748 -2.348 2.524 1.00 0.00 O ATOM 24 CB ALA A 2 27.523 -5.325 3.600 1.00 0.00 C ATOM 0 H ALA A 2 25.360 -6.421 3.123 1.00 0.00 H new ATOM 0 HA ALA A 2 26.006 -3.983 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 2 28.347 -4.639 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.398 -5.998 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.744 -5.907 2.705 1.00 0.00 H new ATOM 30 N TYR A 3 26.233 -3.949 1.017 1.00 0.00 N ATOM 31 CA TYR A 3 26.383 -3.068 -0.142 1.00 0.00 C ATOM 32 C TYR A 3 25.339 -1.950 -0.134 1.00 0.00 C ATOM 33 O TYR A 3 25.626 -0.826 -0.550 1.00 0.00 O ATOM 34 CB TYR A 3 26.285 -3.873 -1.442 1.00 0.00 C ATOM 35 CG TYR A 3 26.767 -3.117 -2.662 1.00 0.00 C ATOM 36 CD1 TYR A 3 28.125 -2.904 -2.885 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.865 -2.616 -3.592 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.564 -2.214 -4.000 1.00 0.00 C ATOM 39 CE2 TYR A 3 26.297 -1.926 -4.707 1.00 0.00 C ATOM 40 CZ TYR A 3 27.647 -1.728 -4.906 1.00 0.00 C ATOM 41 OH TYR A 3 28.081 -1.040 -6.016 1.00 0.00 O ATOM 0 H TYR A 3 25.969 -4.907 0.786 1.00 0.00 H new ATOM 0 HA TYR A 3 27.369 -2.607 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.869 -4.788 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 3 25.248 -4.172 -1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.846 -3.283 -2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.807 -2.769 -3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.620 -2.057 -4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.581 -1.543 -5.420 1.00 0.00 H new ATOM 0 HH TYR A 3 27.309 -0.766 -6.554 1.00 0.00 H new ATOM 51 N ALA A 4 24.131 -2.259 0.347 1.00 0.00 N ATOM 52 CA ALA A 4 23.055 -1.270 0.416 1.00 0.00 C ATOM 53 C ALA A 4 23.474 -0.068 1.261 1.00 0.00 C ATOM 54 O ALA A 4 23.265 1.081 0.866 1.00 0.00 O ATOM 55 CB ALA A 4 21.787 -1.900 0.980 1.00 0.00 C ATOM 0 H ALA A 4 23.876 -3.184 0.693 1.00 0.00 H new ATOM 0 HA ALA A 4 22.850 -0.920 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.997 -1.150 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.472 -2.722 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.984 -2.279 1.983 1.00 0.00 H new ATOM 61 N GLN A 5 24.078 -0.342 2.419 1.00 0.00 N ATOM 62 CA GLN A 5 24.541 0.713 3.320 1.00 0.00 C ATOM 63 C GLN A 5 25.792 1.398 2.766 1.00 0.00 C ATOM 64 O GLN A 5 25.987 2.598 2.964 1.00 0.00 O ATOM 65 CB GLN A 5 24.828 0.142 4.712 1.00 0.00 C ATOM 66 CG GLN A 5 23.706 0.380 5.710 1.00 0.00 C ATOM 67 CD GLN A 5 23.778 1.753 6.354 1.00 0.00 C ATOM 68 OE1 GLN A 5 24.367 1.918 7.423 1.00 0.00 O ATOM 69 NE2 GLN A 5 23.179 2.748 5.706 1.00 0.00 N ATOM 0 H GLN A 5 24.258 -1.288 2.755 1.00 0.00 H new ATOM 0 HA GLN A 5 23.749 1.457 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.006 -0.930 4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.746 0.587 5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 5 22.746 0.270 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 5 23.747 -0.384 6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 5 22.702 2.567 4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 5 23.197 3.692 6.092 1.00 0.00 H new ATOM 78 N TRP A 6 26.632 0.626 2.069 1.00 0.00 N ATOM 79 CA TRP A 6 27.862 1.155 1.478 1.00 0.00 C ATOM 80 C TRP A 6 27.552 2.294 0.505 1.00 0.00 C ATOM 81 O TRP A 6 28.186 3.350 0.554 1.00 0.00 O ATOM 82 CB TRP A 6 28.624 0.038 0.759 1.00 0.00 C ATOM 83 CG TRP A 6 29.925 0.485 0.161 1.00 0.00 C ATOM 84 CD1 TRP A 6 31.072 0.796 0.830 1.00 0.00 C ATOM 85 CD2 TRP A 6 30.209 0.670 -1.230 1.00 0.00 C ATOM 86 NE1 TRP A 6 32.050 1.167 -0.059 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.546 1.096 -1.329 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.463 0.515 -2.400 1.00 0.00 C ATOM 89 CZ2 TRP A 6 32.150 1.369 -2.554 1.00 0.00 C ATOM 90 CZ3 TRP A 6 30.066 0.786 -3.614 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.398 1.208 -3.680 1.00 0.00 C ATOM 0 H TRP A 6 26.481 -0.369 1.901 1.00 0.00 H new ATOM 0 HA TRP A 6 28.485 1.551 2.280 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.817 -0.771 1.464 1.00 0.00 H new ATOM 0 HB3 TRP A 6 27.993 -0.371 -0.030 1.00 0.00 H new ATOM 0 HD1 TRP A 6 31.193 0.756 1.902 1.00 0.00 H new ATOM 0 HE1 TRP A 6 32.999 1.450 0.187 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.434 0.189 -2.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.178 1.697 -2.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.500 0.670 -4.526 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.841 1.411 -4.644 1.00 0.00 H new ATOM 102 N LEU A 7 26.564 2.075 -0.369 1.00 0.00 N ATOM 103 CA LEU A 7 26.158 3.087 -1.343 1.00 0.00 C ATOM 104 C LEU A 7 25.618 4.330 -0.634 1.00 0.00 C ATOM 105 O LEU A 7 25.919 5.458 -1.028 1.00 0.00 O ATOM 106 CB LEU A 7 25.088 2.526 -2.288 1.00 0.00 C ATOM 107 CG LEU A 7 25.577 1.466 -3.284 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.400 0.849 -4.023 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.575 2.061 -4.273 1.00 0.00 C ATOM 0 H LEU A 7 26.033 1.206 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 7 27.036 3.365 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.288 2.093 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.653 3.353 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 7 26.086 0.683 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.764 0.099 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.727 0.378 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.864 1.627 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.905 1.288 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.099 2.868 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.435 2.453 -3.730 1.00 0.00 H new ATOM 121 N ALA A 8 24.829 4.109 0.423 1.00 0.00 N ATOM 122 CA ALA A 8 24.254 5.203 1.204 1.00 0.00 C ATOM 123 C ALA A 8 25.340 6.012 1.917 1.00 0.00 C ATOM 124 O ALA A 8 25.163 7.202 2.179 1.00 0.00 O ATOM 125 CB ALA A 8 23.248 4.666 2.211 1.00 0.00 C ATOM 0 H ALA A 8 24.575 3.179 0.756 1.00 0.00 H new ATOM 0 HA ALA A 8 23.739 5.870 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.830 5.493 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.447 4.148 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.746 3.971 2.888 1.00 0.00 H new ATOM 131 N ASP A 9 26.468 5.360 2.218 1.00 0.00 N ATOM 132 CA ASP A 9 27.588 6.020 2.890 1.00 0.00 C ATOM 133 C ASP A 9 28.429 6.850 1.908 1.00 0.00 C ATOM 134 O ASP A 9 29.402 7.489 2.309 1.00 0.00 O ATOM 135 CB ASP A 9 28.475 4.981 3.586 1.00 0.00 C ATOM 136 CG ASP A 9 29.084 5.506 4.873 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.432 5.386 5.931 1.00 0.00 O ATOM 138 OD2 ASP A 9 30.215 6.035 4.824 1.00 0.00 O ATOM 0 H ASP A 9 26.628 4.375 2.006 1.00 0.00 H new ATOM 0 HA ASP A 9 27.172 6.699 3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.884 4.091 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.272 4.676 2.908 1.00 0.00 H new ATOM 143 N GLY A 10 28.047 6.839 0.624 1.00 0.00 N ATOM 144 CA GLY A 10 28.776 7.595 -0.381 1.00 0.00 C ATOM 145 C GLY A 10 29.522 6.718 -1.379 1.00 0.00 C ATOM 146 O GLY A 10 30.283 7.234 -2.200 1.00 0.00 O ATOM 0 H GLY A 10 27.245 6.319 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 10 28.077 8.233 -0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.489 8.253 0.117 1.00 0.00 H new ATOM 150 N GLY A 11 29.310 5.395 -1.317 1.00 0.00 N ATOM 151 CA GLY A 11 29.983 4.490 -2.234 1.00 0.00 C ATOM 152 C GLY A 11 31.497 4.598 -2.141 1.00 0.00 C ATOM 153 O GLY A 11 32.041 4.629 -1.039 1.00 0.00 O ATOM 0 H GLY A 11 28.686 4.942 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.680 3.465 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.667 4.708 -3.254 1.00 0.00 H new ATOM 157 N PRO A 12 32.215 4.658 -3.284 1.00 0.00 N ATOM 158 CA PRO A 12 33.683 4.770 -3.290 1.00 0.00 C ATOM 159 C PRO A 12 34.196 5.907 -2.397 1.00 0.00 C ATOM 160 O PRO A 12 35.237 5.773 -1.751 1.00 0.00 O ATOM 161 CB PRO A 12 34.010 5.067 -4.759 1.00 0.00 C ATOM 162 CG PRO A 12 32.876 4.486 -5.529 1.00 0.00 C ATOM 163 CD PRO A 12 31.659 4.618 -4.654 1.00 0.00 C ATOM 0 HA PRO A 12 34.155 3.868 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 12 34.099 6.139 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.958 4.616 -5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.736 5.014 -6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 12 33.067 3.441 -5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 12 31.096 5.523 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.978 3.777 -4.785 1.00 0.00 H new ATOM 171 N SER A 13 33.463 7.025 -2.374 1.00 0.00 N ATOM 172 CA SER A 13 33.843 8.193 -1.570 1.00 0.00 C ATOM 173 C SER A 13 33.699 7.931 -0.067 1.00 0.00 C ATOM 174 O SER A 13 34.356 8.591 0.741 1.00 0.00 O ATOM 175 CB SER A 13 32.998 9.408 -1.965 1.00 0.00 C ATOM 176 OG SER A 13 32.896 9.528 -3.374 1.00 0.00 O ATOM 0 H SER A 13 32.600 7.146 -2.905 1.00 0.00 H new ATOM 0 HA SER A 13 34.895 8.395 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 13 32.002 9.317 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 13 33.443 10.313 -1.552 1.00 0.00 H new ATOM 0 HG SER A 13 32.350 10.311 -3.597 1.00 0.00 H new ATOM 182 N SER A 14 32.840 6.974 0.306 1.00 0.00 N ATOM 183 CA SER A 14 32.616 6.636 1.713 1.00 0.00 C ATOM 184 C SER A 14 33.936 6.391 2.451 1.00 0.00 C ATOM 185 O SER A 14 34.077 6.760 3.618 1.00 0.00 O ATOM 186 CB SER A 14 31.715 5.401 1.830 1.00 0.00 C ATOM 187 OG SER A 14 32.433 4.206 1.570 1.00 0.00 O ATOM 0 H SER A 14 32.289 6.420 -0.350 1.00 0.00 H new ATOM 0 HA SER A 14 32.121 7.488 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 14 31.284 5.357 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 14 30.885 5.488 1.129 1.00 0.00 H new ATOM 0 HG SER A 14 32.476 4.054 0.603 1.00 0.00 H new ATOM 193 N GLY A 15 34.896 5.763 1.765 1.00 0.00 N ATOM 194 CA GLY A 15 36.185 5.479 2.373 1.00 0.00 C ATOM 195 C GLY A 15 36.384 4.005 2.695 1.00 0.00 C ATOM 196 O GLY A 15 37.486 3.594 3.061 1.00 0.00 O ATOM 0 H GLY A 15 34.800 5.448 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 15 36.977 5.807 1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.283 6.061 3.289 1.00 0.00 H new ATOM 200 N ARG A 16 35.320 3.207 2.559 1.00 0.00 N ATOM 201 CA ARG A 16 35.392 1.773 2.838 1.00 0.00 C ATOM 202 C ARG A 16 35.244 0.964 1.549 1.00 0.00 C ATOM 203 O ARG A 16 34.688 1.452 0.563 1.00 0.00 O ATOM 204 CB ARG A 16 34.311 1.356 3.851 1.00 0.00 C ATOM 205 CG ARG A 16 33.088 2.266 3.880 1.00 0.00 C ATOM 206 CD ARG A 16 32.251 2.038 5.129 1.00 0.00 C ATOM 207 NE ARG A 16 30.816 2.126 4.858 1.00 0.00 N ATOM 208 CZ ARG A 16 29.871 1.617 5.654 1.00 0.00 C ATOM 209 NH1 ARG A 16 30.201 0.993 6.783 1.00 0.00 N ATOM 210 NH2 ARG A 16 28.590 1.734 5.320 1.00 0.00 N ATOM 0 H ARG A 16 34.401 3.531 2.258 1.00 0.00 H new ATOM 0 HA ARG A 16 36.370 1.565 3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 16 33.988 0.341 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 16 34.754 1.332 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.407 3.307 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.478 2.086 2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 16 32.481 1.057 5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 16 32.522 2.775 5.885 1.00 0.00 H new ATOM 0 HE ARG A 16 30.518 2.606 4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 16 31.182 0.900 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 16 29.473 0.608 7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 16 28.329 2.212 4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 16 27.867 1.346 5.926 1.00 0.00 H new ATOM 224 N PRO A 17 35.747 -0.288 1.533 1.00 0.00 N ATOM 225 CA PRO A 17 35.668 -1.157 0.351 1.00 0.00 C ATOM 226 C PRO A 17 34.261 -1.723 0.132 1.00 0.00 C ATOM 227 O PRO A 17 33.585 -2.102 1.089 1.00 0.00 O ATOM 228 CB PRO A 17 36.651 -2.281 0.683 1.00 0.00 C ATOM 229 CG PRO A 17 36.639 -2.361 2.169 1.00 0.00 C ATOM 230 CD PRO A 17 36.436 -0.952 2.659 1.00 0.00 C ATOM 0 HA PRO A 17 35.900 -0.620 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.342 -3.224 0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.649 -2.059 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 17 35.839 -3.014 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.575 -2.774 2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 17 35.835 -0.926 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.385 -0.467 2.890 1.00 0.00 H new ATOM 238 N PRO A 18 33.803 -1.786 -1.138 1.00 0.00 N ATOM 239 CA PRO A 18 32.471 -2.308 -1.476 1.00 0.00 C ATOM 240 C PRO A 18 32.335 -3.802 -1.166 1.00 0.00 C ATOM 241 O PRO A 18 32.957 -4.637 -1.826 1.00 0.00 O ATOM 242 CB PRO A 18 32.359 -2.070 -2.993 1.00 0.00 C ATOM 243 CG PRO A 18 33.765 -1.952 -3.470 1.00 0.00 C ATOM 244 CD PRO A 18 34.546 -1.351 -2.336 1.00 0.00 C ATOM 0 HA PRO A 18 31.689 -1.819 -0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.843 -2.895 -3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.792 -1.165 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.166 -2.928 -3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.823 -1.323 -4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.575 -1.710 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.589 -0.264 -2.409 1.00 0.00 H new ATOM 252 N PRO A 19 31.512 -4.159 -0.158 1.00 0.00 N ATOM 253 CA PRO A 19 31.292 -5.561 0.231 1.00 0.00 C ATOM 254 C PRO A 19 30.683 -6.387 -0.904 1.00 0.00 C ATOM 255 O PRO A 19 30.324 -5.850 -1.954 1.00 0.00 O ATOM 256 CB PRO A 19 30.298 -5.468 1.404 1.00 0.00 C ATOM 257 CG PRO A 19 30.382 -4.060 1.880 1.00 0.00 C ATOM 258 CD PRO A 19 30.731 -3.232 0.678 1.00 0.00 C ATOM 0 HA PRO A 19 32.228 -6.057 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.286 -5.715 1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.560 -6.168 2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.435 -3.738 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.139 -3.956 2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.839 -2.878 0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.311 -2.351 0.951 1.00 0.00 H new ATOM 266 N SER A 20 30.563 -7.696 -0.679 1.00 0.00 N ATOM 267 CA SER A 20 29.990 -8.598 -1.677 1.00 0.00 C ATOM 268 C SER A 20 28.489 -8.347 -1.846 1.00 0.00 C ATOM 269 O SER A 20 27.912 -7.499 -1.160 1.00 0.00 O ATOM 270 CB SER A 20 30.237 -10.058 -1.277 1.00 0.00 C ATOM 271 OG SER A 20 30.391 -10.882 -2.420 1.00 0.00 O ATOM 0 H SER A 20 30.855 -8.154 0.184 1.00 0.00 H new ATOM 0 HA SER A 20 30.479 -8.402 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.131 -10.122 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 20 29.404 -10.419 -0.674 1.00 0.00 H new ATOM 0 HG SER A 20 30.549 -11.807 -2.138 1.00 0.00 H new ATOM 277 N GLY A 21 27.864 -9.088 -2.764 1.00 0.00 N ATOM 278 CA GLY A 21 26.440 -8.934 -3.009 1.00 0.00 C ATOM 279 C GLY A 21 25.598 -9.270 -1.792 1.00 0.00 C ATOM 280 O GLY A 21 25.351 -10.443 -1.507 1.00 0.00 O ATOM 0 H GLY A 21 28.322 -9.793 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.237 -7.908 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 21 26.146 -9.578 -3.838 1.00 0.00 H new TER 284 GLY A 21