USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 133 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 VAL N :NH3+ -160:sc= -0.139 (180deg=-0.701) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 111:sc= -0.125 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.443 3.015 -0.361 1.00 24.22 N ATOM 2 CA VAL A 1 4.032 2.788 -1.675 1.00 43.22 C ATOM 3 C VAL A 1 3.124 3.312 -2.782 1.00 2.00 C ATOM 4 O VAL A 1 1.901 3.315 -2.646 1.00 2.52 O ATOM 5 CB VAL A 1 4.307 1.292 -1.917 1.00 1.03 C ATOM 6 CG1 VAL A 1 5.082 1.093 -3.211 1.00 15.23 C ATOM 7 CG2 VAL A 1 5.059 0.692 -0.738 1.00 72.22 C ATOM 0 H1 VAL A 1 4.187 2.973 0.365 1.00 24.22 H new ATOM 0 H2 VAL A 1 2.992 3.952 -0.340 1.00 24.22 H new ATOM 0 H3 VAL A 1 2.730 2.283 -0.169 1.00 24.22 H new ATOM 0 HA VAL A 1 4.977 3.331 -1.696 1.00 43.22 H new ATOM 0 HB VAL A 1 3.352 0.775 -2.011 1.00 1.03 H new ATOM 0 HG11 VAL A 1 5.267 0.030 -3.365 1.00 15.23 H new ATOM 0 HG12 VAL A 1 4.502 1.485 -4.046 1.00 15.23 H new ATOM 0 HG13 VAL A 1 6.033 1.621 -3.150 1.00 15.23 H new ATOM 0 HG21 VAL A 1 5.245 -0.366 -0.925 1.00 72.22 H new ATOM 0 HG22 VAL A 1 6.009 1.211 -0.610 1.00 72.22 H new ATOM 0 HG23 VAL A 1 4.462 0.800 0.168 1.00 72.22 H new ATOM 17 N ALA A 2 3.731 3.754 -3.879 1.00 24.24 N ATOM 18 CA ALA A 2 2.977 4.278 -5.011 1.00 25.33 C ATOM 19 C ALA A 2 2.907 3.258 -6.143 1.00 3.34 C ATOM 20 O ALA A 2 3.246 3.562 -7.286 1.00 41.54 O ATOM 21 CB ALA A 2 3.600 5.575 -5.504 1.00 42.33 C ATOM 0 H ALA A 2 4.743 3.759 -4.007 1.00 24.24 H new ATOM 0 HA ALA A 2 1.960 4.481 -4.677 1.00 25.33 H new ATOM 0 HB1 ALA A 2 3.027 5.955 -6.350 1.00 42.33 H new ATOM 0 HB2 ALA A 2 3.592 6.311 -4.700 1.00 42.33 H new ATOM 0 HB3 ALA A 2 4.628 5.389 -5.816 1.00 42.33 H new ATOM 27 N ARG A 3 2.466 2.048 -5.816 1.00 64.10 N ATOM 28 CA ARG A 3 2.354 0.983 -6.806 1.00 10.05 C ATOM 29 C ARG A 3 0.895 0.586 -7.013 1.00 64.50 C ATOM 30 O ARG A 3 0.508 0.151 -8.097 1.00 20.22 O ATOM 31 CB ARG A 3 3.169 -0.236 -6.369 1.00 52.10 C ATOM 32 CG ARG A 3 4.668 -0.061 -6.546 1.00 23.23 C ATOM 33 CD ARG A 3 5.443 -1.190 -5.883 1.00 15.21 C ATOM 34 NE ARG A 3 5.609 -2.336 -6.773 1.00 43.51 N ATOM 35 CZ ARG A 3 6.188 -3.474 -6.406 1.00 13.53 C ATOM 36 NH1 ARG A 3 6.652 -3.617 -5.172 1.00 33.10 N ATOM 37 NH2 ARG A 3 6.302 -4.471 -7.273 1.00 65.11 N ATOM 0 H ARG A 3 2.181 1.780 -4.874 1.00 64.10 H new ATOM 0 HA ARG A 3 2.749 1.355 -7.751 1.00 10.05 H new ATOM 0 HB2 ARG A 3 2.958 -0.447 -5.321 1.00 52.10 H new ATOM 0 HB3 ARG A 3 2.843 -1.105 -6.941 1.00 52.10 H new ATOM 0 HG2 ARG A 3 4.909 -0.028 -7.609 1.00 23.23 H new ATOM 0 HG3 ARG A 3 4.977 0.893 -6.119 1.00 23.23 H new ATOM 0 HD2 ARG A 3 6.423 -0.825 -5.575 1.00 15.21 H new ATOM 0 HD3 ARG A 3 4.922 -1.505 -4.979 1.00 15.21 H new ATOM 0 HE ARG A 3 5.261 -2.258 -7.729 1.00 43.51 H new ATOM 0 HH11 ARG A 3 6.565 -2.852 -4.503 1.00 33.10 H new ATOM 0 HH12 ARG A 3 7.096 -4.492 -4.892 1.00 33.10 H new ATOM 0 HH21 ARG A 3 5.945 -4.364 -8.223 1.00 65.11 H new ATOM 0 HH22 ARG A 3 6.747 -5.344 -6.990 1.00 65.11 H new ATOM 51 N GLY A 4 0.091 0.738 -5.965 1.00 71.53 N ATOM 52 CA GLY A 4 -1.315 0.389 -6.053 1.00 52.40 C ATOM 53 C GLY A 4 -2.213 1.610 -6.101 1.00 63.10 C ATOM 54 O GLY A 4 -3.196 1.695 -5.365 1.00 71.43 O ATOM 0 H GLY A 4 0.388 1.096 -5.057 1.00 71.53 H new ATOM 0 HA2 GLY A 4 -1.481 -0.216 -6.944 1.00 52.40 H new ATOM 0 HA3 GLY A 4 -1.588 -0.226 -5.195 1.00 52.40 H new ATOM 58 N TRP A 5 -1.874 2.558 -6.967 1.00 64.32 N ATOM 59 CA TRP A 5 -2.656 3.781 -7.107 1.00 22.14 C ATOM 60 C TRP A 5 -3.291 3.866 -8.490 1.00 44.32 C ATOM 61 O TRP A 5 -3.842 4.900 -8.869 1.00 0.02 O ATOM 62 CB TRP A 5 -1.773 5.006 -6.860 1.00 74.33 C ATOM 63 CG TRP A 5 -1.769 5.457 -5.431 1.00 31.10 C ATOM 64 CD1 TRP A 5 -1.055 4.912 -4.402 1.00 13.52 C ATOM 65 CD2 TRP A 5 -2.515 6.544 -4.873 1.00 52.24 C ATOM 66 NE1 TRP A 5 -1.313 5.596 -3.238 1.00 23.11 N ATOM 67 CE2 TRP A 5 -2.204 6.602 -3.501 1.00 14.04 C ATOM 68 CE3 TRP A 5 -3.414 7.476 -5.400 1.00 63.22 C ATOM 69 CZ2 TRP A 5 -2.762 7.554 -2.651 1.00 20.41 C ATOM 70 CZ3 TRP A 5 -3.967 8.419 -4.555 1.00 45.45 C ATOM 71 CH2 TRP A 5 -3.639 8.453 -3.194 1.00 2.35 C ATOM 0 H TRP A 5 -1.063 2.503 -7.583 1.00 64.32 H new ATOM 0 HA TRP A 5 -3.453 3.761 -6.364 1.00 22.14 H new ATOM 0 HB2 TRP A 5 -0.752 4.776 -7.164 1.00 74.33 H new ATOM 0 HB3 TRP A 5 -2.116 5.826 -7.491 1.00 74.33 H new ATOM 0 HD1 TRP A 5 -0.387 4.068 -4.490 1.00 13.52 H new ATOM 0 HE1 TRP A 5 -0.907 5.388 -2.326 1.00 23.11 H new ATOM 0 HE3 TRP A 5 -3.672 7.459 -6.449 1.00 63.22 H new ATOM 0 HZ2 TRP A 5 -2.511 7.582 -1.601 1.00 20.41 H new ATOM 0 HZ3 TRP A 5 -4.664 9.142 -4.951 1.00 45.45 H new ATOM 0 HH2 TRP A 5 -4.087 9.204 -2.560 1.00 2.35 H new ATOM 82 N LYS A 6 -3.210 2.774 -9.242 1.00 31.31 N ATOM 83 CA LYS A 6 -3.778 2.724 -10.584 1.00 11.01 C ATOM 84 C LYS A 6 -4.912 1.707 -10.657 1.00 71.54 C ATOM 85 O LYS A 6 -5.274 1.243 -11.739 1.00 44.11 O ATOM 86 CB LYS A 6 -2.695 2.371 -11.606 1.00 0.12 C ATOM 87 CG LYS A 6 -1.978 1.066 -11.306 1.00 2.22 C ATOM 88 CD LYS A 6 -2.353 -0.018 -12.302 1.00 21.11 C ATOM 89 CE LYS A 6 -1.314 -1.128 -12.335 1.00 64.22 C ATOM 90 NZ LYS A 6 -1.458 -1.987 -13.543 1.00 34.53 N ATOM 0 H LYS A 6 -2.756 1.910 -8.945 1.00 31.31 H new ATOM 0 HA LYS A 6 -4.182 3.709 -10.818 1.00 11.01 H new ATOM 0 HB2 LYS A 6 -3.148 2.308 -12.596 1.00 0.12 H new ATOM 0 HB3 LYS A 6 -1.963 3.178 -11.641 1.00 0.12 H new ATOM 0 HG2 LYS A 6 -0.900 1.228 -11.331 1.00 2.22 H new ATOM 0 HG3 LYS A 6 -2.227 0.736 -10.297 1.00 2.22 H new ATOM 0 HD2 LYS A 6 -3.325 -0.435 -12.038 1.00 21.11 H new ATOM 0 HD3 LYS A 6 -2.453 0.418 -13.296 1.00 21.11 H new ATOM 0 HE2 LYS A 6 -0.315 -0.691 -12.317 1.00 64.22 H new ATOM 0 HE3 LYS A 6 -1.410 -1.742 -11.439 1.00 64.22 H new ATOM 0 HZ1 LYS A 6 -0.732 -2.731 -13.528 1.00 34.53 H new ATOM 0 HZ2 LYS A 6 -2.402 -2.424 -13.548 1.00 34.53 H new ATOM 0 HZ3 LYS A 6 -1.341 -1.406 -14.398 1.00 34.53 H new ATOM 104 N ARG A 7 -5.470 1.365 -9.501 1.00 31.54 N ATOM 105 CA ARG A 7 -6.563 0.402 -9.435 1.00 13.23 C ATOM 106 C ARG A 7 -7.807 1.034 -8.817 1.00 32.03 C ATOM 107 O ARG A 7 -8.752 1.389 -9.522 1.00 34.55 O ATOM 108 CB ARG A 7 -6.143 -0.824 -8.622 1.00 15.22 C ATOM 109 CG ARG A 7 -5.015 -1.619 -9.258 1.00 75.41 C ATOM 110 CD ARG A 7 -5.372 -2.060 -10.669 1.00 63.03 C ATOM 111 NE ARG A 7 -4.362 -2.950 -11.236 1.00 61.00 N ATOM 112 CZ ARG A 7 -4.274 -4.243 -10.943 1.00 52.24 C ATOM 113 NH1 ARG A 7 -5.132 -4.794 -10.095 1.00 44.52 N ATOM 114 NH2 ARG A 7 -3.328 -4.987 -11.500 1.00 65.51 N ATOM 0 H ARG A 7 -5.183 1.740 -8.597 1.00 31.54 H new ATOM 0 HA ARG A 7 -6.801 0.090 -10.452 1.00 13.23 H new ATOM 0 HB2 ARG A 7 -5.833 -0.502 -7.628 1.00 15.22 H new ATOM 0 HB3 ARG A 7 -7.007 -1.476 -8.491 1.00 15.22 H new ATOM 0 HG2 ARG A 7 -4.110 -1.012 -9.283 1.00 75.41 H new ATOM 0 HG3 ARG A 7 -4.795 -2.494 -8.647 1.00 75.41 H new ATOM 0 HD2 ARG A 7 -6.337 -2.567 -10.657 1.00 63.03 H new ATOM 0 HD3 ARG A 7 -5.481 -1.183 -11.306 1.00 63.03 H new ATOM 0 HE ARG A 7 -3.687 -2.557 -11.893 1.00 61.00 H new ATOM 0 HH11 ARG A 7 -5.862 -4.225 -9.666 1.00 44.52 H new ATOM 0 HH12 ARG A 7 -5.062 -5.787 -9.872 1.00 44.52 H new ATOM 0 HH21 ARG A 7 -2.667 -4.567 -12.154 1.00 65.51 H new ATOM 0 HH22 ARG A 7 -3.261 -5.980 -11.275 1.00 65.51 H new ATOM 128 N LYS A 8 -7.800 1.171 -7.495 1.00 52.52 N ATOM 129 CA LYS A 8 -8.926 1.761 -6.781 1.00 34.22 C ATOM 130 C LYS A 8 -8.628 3.205 -6.390 1.00 65.33 C ATOM 131 O LYS A 8 -9.362 3.811 -5.609 1.00 41.13 O ATOM 132 CB LYS A 8 -9.250 0.940 -5.530 1.00 62.35 C ATOM 133 CG LYS A 8 -8.127 0.921 -4.508 1.00 21.01 C ATOM 134 CD LYS A 8 -7.517 -0.465 -4.374 1.00 55.52 C ATOM 135 CE LYS A 8 -8.042 -1.188 -3.143 1.00 54.15 C ATOM 136 NZ LYS A 8 -9.476 -1.564 -3.291 1.00 23.34 N ATOM 0 H LYS A 8 -7.027 0.881 -6.896 1.00 52.52 H new ATOM 0 HA LYS A 8 -9.789 1.754 -7.447 1.00 34.22 H new ATOM 0 HB2 LYS A 8 -10.148 1.344 -5.063 1.00 62.35 H new ATOM 0 HB3 LYS A 8 -9.478 -0.084 -5.826 1.00 62.35 H new ATOM 0 HG2 LYS A 8 -7.355 1.632 -4.801 1.00 21.01 H new ATOM 0 HG3 LYS A 8 -8.509 1.246 -3.540 1.00 21.01 H new ATOM 0 HD2 LYS A 8 -7.743 -1.051 -5.265 1.00 55.52 H new ATOM 0 HD3 LYS A 8 -6.432 -0.382 -4.313 1.00 55.52 H new ATOM 0 HE2 LYS A 8 -7.448 -2.085 -2.967 1.00 54.15 H new ATOM 0 HE3 LYS A 8 -7.922 -0.549 -2.268 1.00 54.15 H new ATOM 0 HZ1 LYS A 8 -9.797 -2.054 -2.432 1.00 23.34 H new ATOM 0 HZ2 LYS A 8 -10.047 -0.706 -3.434 1.00 23.34 H new ATOM 0 HZ3 LYS A 8 -9.587 -2.194 -4.111 1.00 23.34 H new ATOM 150 N CYS A 9 -7.547 3.750 -6.939 1.00 34.52 N ATOM 151 CA CYS A 9 -7.152 5.123 -6.648 1.00 53.20 C ATOM 152 C CYS A 9 -7.109 5.958 -7.924 1.00 11.24 C ATOM 153 O CYS A 9 -6.051 6.187 -8.510 1.00 22.13 O ATOM 154 CB CYS A 9 -5.786 5.148 -5.961 1.00 51.31 C ATOM 155 SG CYS A 9 -5.614 3.953 -4.615 1.00 54.13 S ATOM 0 H CYS A 9 -6.929 3.262 -7.588 1.00 34.52 H new ATOM 0 HA CYS A 9 -7.895 5.555 -5.978 1.00 53.20 H new ATOM 0 HB2 CYS A 9 -5.014 4.954 -6.705 1.00 51.31 H new ATOM 0 HB3 CYS A 9 -5.607 6.149 -5.569 1.00 51.31 H new ATOM 0 HG CYS A 9 -4.779 3.020 -4.967 1.00 54.13 H new ATOM 161 N PRO A 10 -8.286 6.424 -8.366 1.00 75.25 N ATOM 162 CA PRO A 10 -8.410 7.240 -9.578 1.00 61.30 C ATOM 163 C PRO A 10 -7.814 8.632 -9.402 1.00 51.34 C ATOM 164 O PRO A 10 -7.709 9.399 -10.361 1.00 3.14 O ATOM 165 CB PRO A 10 -9.923 7.329 -9.793 1.00 62.41 C ATOM 166 CG PRO A 10 -10.510 7.135 -8.438 1.00 32.31 C ATOM 167 CD PRO A 10 -9.588 6.190 -7.718 1.00 42.11 C ATOM 0 HA PRO A 10 -7.871 6.804 -10.420 1.00 61.30 H new ATOM 0 HB2 PRO A 10 -10.207 8.294 -10.213 1.00 62.41 H new ATOM 0 HB3 PRO A 10 -10.270 6.564 -10.488 1.00 62.41 H new ATOM 0 HG2 PRO A 10 -10.588 8.084 -7.907 1.00 32.31 H new ATOM 0 HG3 PRO A 10 -11.517 6.723 -8.504 1.00 32.31 H new ATOM 0 HD2 PRO A 10 -9.549 6.402 -6.650 1.00 42.11 H new ATOM 0 HD3 PRO A 10 -9.910 5.154 -7.826 1.00 42.11 H new ATOM 175 N LEU A 11 -7.425 8.953 -8.173 1.00 52.54 N ATOM 176 CA LEU A 11 -6.839 10.255 -7.872 1.00 63.21 C ATOM 177 C LEU A 11 -5.525 10.447 -8.623 1.00 53.24 C ATOM 178 O LEU A 11 -5.293 11.492 -9.231 1.00 51.44 O ATOM 179 CB LEU A 11 -6.604 10.394 -6.367 1.00 44.00 C ATOM 180 CG LEU A 11 -7.779 10.933 -5.551 1.00 73.31 C ATOM 181 CD1 LEU A 11 -8.503 9.797 -4.843 1.00 44.44 C ATOM 182 CD2 LEU A 11 -7.300 11.971 -4.547 1.00 33.55 C ATOM 0 H LEU A 11 -7.505 8.330 -7.369 1.00 52.54 H new ATOM 0 HA LEU A 11 -7.538 11.025 -8.197 1.00 63.21 H new ATOM 0 HB2 LEU A 11 -6.331 9.416 -5.970 1.00 44.00 H new ATOM 0 HB3 LEU A 11 -5.748 11.051 -6.212 1.00 44.00 H new ATOM 0 HG LEU A 11 -8.480 11.414 -6.233 1.00 73.31 H new ATOM 0 HD11 LEU A 11 -9.336 10.200 -4.267 1.00 44.44 H new ATOM 0 HD12 LEU A 11 -8.880 9.090 -5.582 1.00 44.44 H new ATOM 0 HD13 LEU A 11 -7.812 9.287 -4.172 1.00 44.44 H new ATOM 0 HD21 LEU A 11 -8.150 12.344 -3.975 1.00 33.55 H new ATOM 0 HD22 LEU A 11 -6.578 11.515 -3.869 1.00 33.55 H new ATOM 0 HD23 LEU A 11 -6.828 12.799 -5.076 1.00 33.55 H new ATOM 194 N PHE A 12 -4.670 9.431 -8.579 1.00 2.31 N ATOM 195 CA PHE A 12 -3.380 9.488 -9.256 1.00 63.14 C ATOM 196 C PHE A 12 -3.261 8.375 -10.293 1.00 65.41 C ATOM 197 O PHE A 12 -2.844 7.261 -9.979 1.00 21.43 O ATOM 198 CB PHE A 12 -2.241 9.378 -8.240 1.00 41.24 C ATOM 199 CG PHE A 12 -2.065 10.612 -7.402 1.00 64.11 C ATOM 200 CD1 PHE A 12 -3.021 10.972 -6.467 1.00 2.44 C ATOM 201 CD2 PHE A 12 -0.943 11.412 -7.550 1.00 63.51 C ATOM 202 CE1 PHE A 12 -2.861 12.107 -5.693 1.00 75.12 C ATOM 203 CE2 PHE A 12 -0.778 12.547 -6.779 1.00 63.23 C ATOM 204 CZ PHE A 12 -1.739 12.896 -5.851 1.00 22.43 C ATOM 0 H PHE A 12 -4.847 8.558 -8.082 1.00 2.31 H new ATOM 0 HA PHE A 12 -3.309 10.447 -9.768 1.00 63.14 H new ATOM 0 HB2 PHE A 12 -2.430 8.527 -7.585 1.00 41.24 H new ATOM 0 HB3 PHE A 12 -1.311 9.172 -8.770 1.00 41.24 H new ATOM 0 HD1 PHE A 12 -3.902 10.360 -6.341 1.00 2.44 H new ATOM 0 HD2 PHE A 12 -0.189 11.145 -8.276 1.00 63.51 H new ATOM 0 HE1 PHE A 12 -3.613 12.376 -4.966 1.00 75.12 H new ATOM 0 HE2 PHE A 12 0.102 13.161 -6.902 1.00 63.23 H new ATOM 0 HZ PHE A 12 -1.613 13.784 -5.250 1.00 22.43 H new ATOM 214 N GLY A 13 -3.631 8.685 -11.532 1.00 4.31 N ATOM 215 CA GLY A 13 -3.559 7.701 -12.596 1.00 41.53 C ATOM 216 C GLY A 13 -2.441 7.990 -13.578 1.00 44.11 C ATOM 217 O GLY A 13 -2.567 7.720 -14.773 1.00 32.55 O ATOM 0 H GLY A 13 -3.979 9.600 -11.818 1.00 4.31 H new ATOM 0 HA2 GLY A 13 -3.411 6.712 -12.163 1.00 41.53 H new ATOM 0 HA3 GLY A 13 -4.509 7.677 -13.129 1.00 41.53 H new ATOM 221 N LYS A 14 -1.342 8.543 -13.075 1.00 61.22 N ATOM 222 CA LYS A 14 -0.196 8.869 -13.915 1.00 42.53 C ATOM 223 C LYS A 14 0.295 7.638 -14.669 1.00 21.50 C ATOM 224 O LYS A 14 0.849 6.714 -14.074 1.00 70.13 O ATOM 225 CB LYS A 14 0.938 9.446 -13.065 1.00 24.44 C ATOM 226 CG LYS A 14 1.213 10.915 -13.332 1.00 13.53 C ATOM 227 CD LYS A 14 -0.020 11.768 -13.078 1.00 64.34 C ATOM 228 CE LYS A 14 0.256 12.854 -12.050 1.00 50.34 C ATOM 229 NZ LYS A 14 -0.555 14.077 -12.305 1.00 1.11 N ATOM 0 H LYS A 14 -1.221 8.775 -12.089 1.00 61.22 H new ATOM 0 HA LYS A 14 -0.512 9.616 -14.643 1.00 42.53 H new ATOM 0 HB2 LYS A 14 0.692 9.317 -12.011 1.00 24.44 H new ATOM 0 HB3 LYS A 14 1.847 8.875 -13.252 1.00 24.44 H new ATOM 0 HG2 LYS A 14 2.029 11.255 -12.695 1.00 13.53 H new ATOM 0 HG3 LYS A 14 1.539 11.043 -14.364 1.00 13.53 H new ATOM 0 HD2 LYS A 14 -0.347 12.225 -14.012 1.00 64.34 H new ATOM 0 HD3 LYS A 14 -0.836 11.135 -12.730 1.00 64.34 H new ATOM 0 HE2 LYS A 14 0.037 12.474 -11.052 1.00 50.34 H new ATOM 0 HE3 LYS A 14 1.315 13.110 -12.068 1.00 50.34 H new ATOM 0 HZ1 LYS A 14 -0.339 14.794 -11.583 1.00 1.11 H new ATOM 0 HZ2 LYS A 14 -0.327 14.454 -13.247 1.00 1.11 H new ATOM 0 HZ3 LYS A 14 -1.566 13.838 -12.263 1.00 1.11 H new ATOM 243 N GLY A 15 0.089 7.632 -15.983 1.00 21.34 N ATOM 244 CA GLY A 15 0.518 6.509 -16.796 1.00 21.23 C ATOM 245 C GLY A 15 1.855 6.756 -17.466 1.00 22.52 C ATOM 246 O GLY A 15 2.907 6.505 -16.879 1.00 41.11 O ATOM 0 H GLY A 15 -0.367 8.385 -16.498 1.00 21.34 H new ATOM 0 HA2 GLY A 15 0.587 5.618 -16.172 1.00 21.23 H new ATOM 0 HA3 GLY A 15 -0.235 6.307 -17.558 1.00 21.23 H new ATOM 250 N GLY A 16 1.815 7.247 -18.701 1.00 0.14 N ATOM 251 CA GLY A 16 3.039 7.518 -19.432 1.00 22.35 C ATOM 252 C GLY A 16 3.320 9.001 -19.563 1.00 51.44 C ATOM 253 O GLY A 16 4.408 9.399 -19.979 1.00 1.43 O ATOM 0 H GLY A 16 0.957 7.462 -19.208 1.00 0.14 H new ATOM 0 HA2 GLY A 16 3.875 7.036 -18.925 1.00 22.35 H new ATOM 0 HA3 GLY A 16 2.971 7.075 -20.426 1.00 22.35 H new TER 257 GLY A 16