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+ -150:sc= -0.0918 (180deg=-0.684) 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 108:sc= -0.0867 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.527 2.859 -0.561 1.00 2.04 N ATOM 2 CA VAL A 1 4.711 2.498 -1.961 1.00 73.22 C ATOM 3 C VAL A 1 3.589 3.063 -2.826 1.00 23.12 C ATOM 4 O VAL A 1 2.453 3.200 -2.374 1.00 51.43 O ATOM 5 CB VAL A 1 4.765 0.969 -2.144 1.00 53.52 C ATOM 6 CG1 VAL A 1 5.137 0.616 -3.576 1.00 74.21 C ATOM 7 CG2 VAL A 1 5.747 0.350 -1.161 1.00 75.01 C ATOM 0 H1 VAL A 1 5.455 2.936 -0.097 1.00 2.04 H new ATOM 0 H2 VAL A 1 4.033 3.772 -0.500 1.00 2.04 H new ATOM 0 H3 VAL A 1 3.962 2.127 -0.085 1.00 2.04 H new ATOM 0 HA VAL A 1 5.661 2.928 -2.277 1.00 73.22 H new ATOM 0 HB VAL A 1 3.775 0.560 -1.940 1.00 53.52 H new ATOM 0 HG11 VAL A 1 5.170 -0.468 -3.687 1.00 74.21 H new ATOM 0 HG12 VAL A 1 4.392 1.028 -4.257 1.00 74.21 H new ATOM 0 HG13 VAL A 1 6.115 1.035 -3.812 1.00 74.21 H new ATOM 0 HG21 VAL A 1 5.773 -0.730 -1.304 1.00 75.01 H new ATOM 0 HG22 VAL A 1 6.741 0.762 -1.332 1.00 75.01 H new ATOM 0 HG23 VAL A 1 5.431 0.574 -0.142 1.00 75.01 H new ATOM 17 N ALA A 2 3.917 3.388 -4.072 1.00 2.41 N ATOM 18 CA ALA A 2 2.937 3.936 -5.001 1.00 41.34 C ATOM 19 C ALA A 2 2.620 2.942 -6.113 1.00 53.45 C ATOM 20 O ALA A 2 2.715 3.269 -7.297 1.00 24.14 O ATOM 21 CB ALA A 2 3.442 5.246 -5.589 1.00 72.33 C ATOM 0 H ALA A 2 4.854 3.281 -4.461 1.00 2.41 H new ATOM 0 HA ALA A 2 2.017 4.129 -4.449 1.00 41.34 H new ATOM 0 HB1 ALA A 2 2.700 5.644 -6.281 1.00 72.33 H new ATOM 0 HB2 ALA A 2 3.611 5.964 -4.786 1.00 72.33 H new ATOM 0 HB3 ALA A 2 4.377 5.070 -6.121 1.00 72.33 H new ATOM 27 N ARG A 3 2.242 1.728 -5.726 1.00 5.41 N ATOM 28 CA ARG A 3 1.913 0.686 -6.691 1.00 10.32 C ATOM 29 C ARG A 3 0.419 0.378 -6.669 1.00 32.21 C ATOM 30 O ARG A 3 -0.159 -0.018 -7.681 1.00 2.25 O ATOM 31 CB ARG A 3 2.711 -0.584 -6.394 1.00 24.32 C ATOM 32 CG ARG A 3 4.042 -0.652 -7.125 1.00 61.41 C ATOM 33 CD ARG A 3 3.854 -1.007 -8.592 1.00 23.43 C ATOM 34 NE ARG A 3 5.114 -1.378 -9.231 1.00 21.32 N ATOM 35 CZ ARG A 3 6.036 -0.498 -9.604 1.00 2.23 C ATOM 36 NH1 ARG A 3 5.840 0.798 -9.402 1.00 23.11 N ATOM 37 NH2 ARG A 3 7.157 -0.913 -10.179 1.00 43.03 N ATOM 0 H ARG A 3 2.156 1.442 -4.751 1.00 5.41 H new ATOM 0 HA ARG A 3 2.177 1.049 -7.684 1.00 10.32 H new ATOM 0 HB2 ARG A 3 2.892 -0.647 -5.321 1.00 24.32 H new ATOM 0 HB3 ARG A 3 2.111 -1.452 -6.667 1.00 24.32 H new ATOM 0 HG2 ARG A 3 4.552 0.308 -7.044 1.00 61.41 H new ATOM 0 HG3 ARG A 3 4.682 -1.395 -6.649 1.00 61.41 H new ATOM 0 HD2 ARG A 3 3.147 -1.832 -8.678 1.00 23.43 H new ATOM 0 HD3 ARG A 3 3.417 -0.158 -9.117 1.00 23.43 H new ATOM 0 HE ARG A 3 5.296 -2.367 -9.400 1.00 21.32 H new ATOM 0 HH11 ARG A 3 4.980 1.121 -8.959 1.00 23.11 H new ATOM 0 HH12 ARG A 3 6.550 1.472 -9.689 1.00 23.11 H new ATOM 0 HH21 ARG A 3 7.312 -1.909 -10.335 1.00 43.03 H new ATOM 0 HH22 ARG A 3 7.864 -0.236 -10.465 1.00 43.03 H new ATOM 51 N GLY A 4 -0.201 0.561 -5.507 1.00 54.51 N ATOM 52 CA GLY A 4 -1.622 0.297 -5.375 1.00 12.52 C ATOM 53 C GLY A 4 -2.462 1.549 -5.536 1.00 40.11 C ATOM 54 O GLY A 4 -3.476 1.716 -4.858 1.00 70.44 O ATOM 0 H GLY A 4 0.255 0.887 -4.655 1.00 54.51 H new ATOM 0 HA2 GLY A 4 -1.923 -0.437 -6.122 1.00 12.52 H new ATOM 0 HA3 GLY A 4 -1.817 -0.145 -4.398 1.00 12.52 H new ATOM 58 N TRP A 5 -2.039 2.431 -6.434 1.00 1.41 N ATOM 59 CA TRP A 5 -2.759 3.676 -6.680 1.00 62.35 C ATOM 60 C TRP A 5 -3.365 3.686 -8.080 1.00 23.04 C ATOM 61 O TRP A 5 -3.860 4.713 -8.545 1.00 63.44 O ATOM 62 CB TRP A 5 -1.823 4.873 -6.508 1.00 10.23 C ATOM 63 CG TRP A 5 -1.822 5.430 -5.116 1.00 41.33 C ATOM 64 CD1 TRP A 5 -1.152 4.934 -4.035 1.00 64.41 C ATOM 65 CD2 TRP A 5 -2.526 6.589 -4.657 1.00 11.13 C ATOM 66 NE1 TRP A 5 -1.397 5.714 -2.931 1.00 24.21 N ATOM 67 CE2 TRP A 5 -2.236 6.736 -3.286 1.00 51.31 C ATOM 68 CE3 TRP A 5 -3.371 7.518 -5.270 1.00 34.33 C ATOM 69 CZ2 TRP A 5 -2.763 7.773 -2.521 1.00 52.53 C ATOM 70 CZ3 TRP A 5 -3.894 8.546 -4.509 1.00 50.31 C ATOM 71 CH2 TRP A 5 -3.588 8.668 -3.147 1.00 51.22 C ATOM 0 H TRP A 5 -1.202 2.308 -7.004 1.00 1.41 H new ATOM 0 HA TRP A 5 -3.568 3.749 -5.953 1.00 62.35 H new ATOM 0 HB2 TRP A 5 -0.809 4.573 -6.773 1.00 10.23 H new ATOM 0 HB3 TRP A 5 -2.116 5.658 -7.206 1.00 10.23 H new ATOM 0 HD1 TRP A 5 -0.522 4.057 -4.046 1.00 64.41 H new ATOM 0 HE1 TRP A 5 -1.016 5.557 -1.998 1.00 24.21 H new ATOM 0 HE3 TRP A 5 -3.611 7.434 -6.320 1.00 34.33 H new ATOM 0 HZ2 TRP A 5 -2.529 7.868 -1.471 1.00 52.53 H new ATOM 0 HZ3 TRP A 5 -4.550 9.268 -4.972 1.00 50.31 H new ATOM 0 HH2 TRP A 5 -4.011 9.484 -2.580 1.00 51.22 H new ATOM 82 N LYS A 6 -3.323 2.537 -8.746 1.00 40.32 N ATOM 83 CA LYS A 6 -3.869 2.413 -10.092 1.00 53.13 C ATOM 84 C LYS A 6 -5.048 1.446 -10.114 1.00 34.32 C ATOM 85 O LYS A 6 -5.412 0.919 -11.166 1.00 14.44 O ATOM 86 CB LYS A 6 -2.786 1.936 -11.062 1.00 73.54 C ATOM 87 CG LYS A 6 -2.121 0.637 -10.640 1.00 74.22 C ATOM 88 CD LYS A 6 -2.472 -0.502 -11.583 1.00 54.33 C ATOM 89 CE LYS A 6 -1.564 -0.515 -12.803 1.00 61.31 C ATOM 90 NZ LYS A 6 -0.634 -1.678 -12.789 1.00 23.00 N ATOM 0 H LYS A 6 -2.916 1.678 -8.375 1.00 40.32 H new ATOM 0 HA LYS A 6 -4.222 3.395 -10.406 1.00 53.13 H new ATOM 0 HB2 LYS A 6 -3.227 1.804 -12.050 1.00 73.54 H new ATOM 0 HB3 LYS A 6 -2.025 2.711 -11.154 1.00 73.54 H new ATOM 0 HG2 LYS A 6 -1.040 0.772 -10.617 1.00 74.22 H new ATOM 0 HG3 LYS A 6 -2.432 0.381 -9.627 1.00 74.22 H new ATOM 0 HD2 LYS A 6 -2.388 -1.452 -11.055 1.00 54.33 H new ATOM 0 HD3 LYS A 6 -3.510 -0.405 -11.902 1.00 54.33 H new ATOM 0 HE2 LYS A 6 -2.171 -0.546 -13.708 1.00 61.31 H new ATOM 0 HE3 LYS A 6 -0.988 0.410 -12.837 1.00 61.31 H new ATOM 0 HZ1 LYS A 6 -0.032 -1.651 -13.637 1.00 23.00 H new ATOM 0 HZ2 LYS A 6 -0.037 -1.635 -11.939 1.00 23.00 H new ATOM 0 HZ3 LYS A 6 -1.183 -2.561 -12.782 1.00 23.00 H new ATOM 104 N ARG A 7 -5.642 1.217 -8.947 1.00 2.11 N ATOM 105 CA ARG A 7 -6.780 0.313 -8.833 1.00 0.24 C ATOM 106 C ARG A 7 -8.003 1.046 -8.289 1.00 74.42 C ATOM 107 O ARG A 7 -8.919 1.389 -9.038 1.00 23.42 O ATOM 108 CB ARG A 7 -6.432 -0.866 -7.922 1.00 74.25 C ATOM 109 CG ARG A 7 -5.332 -1.758 -8.474 1.00 41.42 C ATOM 110 CD ARG A 7 -5.683 -2.286 -9.856 1.00 74.20 C ATOM 111 NE ARG A 7 -4.712 -3.269 -10.330 1.00 13.15 N ATOM 112 CZ ARG A 7 -4.654 -3.699 -11.585 1.00 51.51 C ATOM 113 NH1 ARG A 7 -5.506 -3.234 -12.488 1.00 51.15 N ATOM 114 NH2 ARG A 7 -3.742 -4.594 -11.939 1.00 64.44 N ATOM 0 H ARG A 7 -5.354 1.645 -8.067 1.00 2.11 H new ATOM 0 HA ARG A 7 -7.016 -0.063 -9.829 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -6.124 -0.484 -6.949 1.00 74.25 H new ATOM 0 HB3 ARG A 7 -7.328 -1.466 -7.760 1.00 74.25 H new ATOM 0 HG2 ARG A 7 -4.398 -1.198 -8.524 1.00 41.42 H new ATOM 0 HG3 ARG A 7 -5.166 -2.595 -7.795 1.00 41.42 H new ATOM 0 HD2 ARG A 7 -6.674 -2.739 -9.830 1.00 74.20 H new ATOM 0 HD3 ARG A 7 -5.731 -1.455 -10.560 1.00 74.20 H new ATOM 0 HE ARG A 7 -4.042 -3.646 -9.660 1.00 13.15 H new ATOM 0 HH11 ARG A 7 -6.208 -2.544 -12.219 1.00 51.15 H new ATOM 0 HH12 ARG A 7 -5.460 -3.566 -13.451 1.00 51.15 H new ATOM 0 HH21 ARG A 7 -3.084 -4.953 -11.247 1.00 64.44 H new ATOM 0 HH22 ARG A 7 -3.698 -4.924 -12.903 1.00 64.44 H new ATOM 128 N LYS A 8 -8.013 1.282 -6.982 1.00 23.23 N ATOM 129 CA LYS A 8 -9.122 1.974 -6.337 1.00 32.34 C ATOM 130 C LYS A 8 -8.763 3.428 -6.049 1.00 21.13 C ATOM 131 O LYS A 8 -9.482 4.124 -5.331 1.00 4.23 O ATOM 132 CB LYS A 8 -9.505 1.265 -5.036 1.00 32.34 C ATOM 133 CG LYS A 8 -9.633 -0.242 -5.179 1.00 25.12 C ATOM 134 CD LYS A 8 -8.455 -0.964 -4.545 1.00 40.15 C ATOM 135 CE LYS A 8 -8.677 -2.468 -4.511 1.00 23.33 C ATOM 136 NZ LYS A 8 -7.398 -3.221 -4.641 1.00 51.54 N ATOM 0 H LYS A 8 -7.264 1.004 -6.348 1.00 23.23 H new ATOM 0 HA LYS A 8 -9.973 1.956 -7.018 1.00 32.34 H new ATOM 0 HB2 LYS A 8 -8.755 1.487 -4.277 1.00 32.34 H new ATOM 0 HB3 LYS A 8 -10.451 1.669 -4.677 1.00 32.34 H new ATOM 0 HG2 LYS A 8 -10.560 -0.575 -4.712 1.00 25.12 H new ATOM 0 HG3 LYS A 8 -9.696 -0.504 -6.235 1.00 25.12 H new ATOM 0 HD2 LYS A 8 -7.546 -0.742 -5.105 1.00 40.15 H new ATOM 0 HD3 LYS A 8 -8.303 -0.594 -3.531 1.00 40.15 H new ATOM 0 HE2 LYS A 8 -9.166 -2.742 -3.576 1.00 23.33 H new ATOM 0 HE3 LYS A 8 -9.351 -2.754 -5.319 1.00 23.33 H new ATOM 0 HZ1 LYS A 8 -7.592 -4.242 -4.613 1.00 51.54 H new ATOM 0 HZ2 LYS A 8 -6.943 -2.979 -5.545 1.00 51.54 H new ATOM 0 HZ3 LYS A 8 -6.765 -2.968 -3.856 1.00 51.54 H new ATOM 150 N CYS A 9 -7.649 3.880 -6.614 1.00 10.15 N ATOM 151 CA CYS A 9 -7.195 5.252 -6.418 1.00 11.53 C ATOM 152 C CYS A 9 -7.091 5.986 -7.751 1.00 2.12 C ATOM 153 O CYS A 9 -6.013 6.121 -8.330 1.00 40.15 O ATOM 154 CB CYS A 9 -5.841 5.267 -5.706 1.00 53.23 C ATOM 155 SG CYS A 9 -5.749 4.170 -4.272 1.00 12.20 S ATOM 0 H CYS A 9 -7.044 3.317 -7.211 1.00 10.15 H new ATOM 0 HA CYS A 9 -7.929 5.766 -5.797 1.00 11.53 H new ATOM 0 HB2 CYS A 9 -5.065 4.983 -6.417 1.00 53.23 H new ATOM 0 HB3 CYS A 9 -5.622 6.286 -5.385 1.00 53.23 H new ATOM 0 HG CYS A 9 -4.994 3.150 -4.554 1.00 12.20 H new ATOM 161 N PRO A 10 -8.237 6.471 -8.251 1.00 71.31 N ATOM 162 CA PRO A 10 -8.301 7.198 -9.522 1.00 71.23 C ATOM 163 C PRO A 10 -7.643 8.571 -9.439 1.00 30.23 C ATOM 164 O PRO A 10 -7.486 9.258 -10.449 1.00 22.21 O ATOM 165 CB PRO A 10 -9.804 7.340 -9.774 1.00 73.24 C ATOM 166 CG PRO A 10 -10.423 7.276 -8.421 1.00 31.33 C ATOM 167 CD PRO A 10 -9.559 6.347 -7.614 1.00 22.41 C ATOM 0 HA PRO A 10 -7.769 6.676 -10.317 1.00 71.23 H new ATOM 0 HB2 PRO A 10 -10.035 8.282 -10.271 1.00 73.24 H new ATOM 0 HB3 PRO A 10 -10.175 6.542 -10.417 1.00 73.24 H new ATOM 0 HG2 PRO A 10 -10.466 8.265 -7.964 1.00 31.33 H new ATOM 0 HG3 PRO A 10 -11.447 6.906 -8.477 1.00 31.33 H new ATOM 0 HD2 PRO A 10 -9.528 6.638 -6.564 1.00 22.41 H new ATOM 0 HD3 PRO A 10 -9.928 5.322 -7.650 1.00 22.41 H new ATOM 175 N LEU A 11 -7.260 8.965 -8.229 1.00 44.15 N ATOM 176 CA LEU A 11 -6.617 10.257 -8.014 1.00 12.00 C ATOM 177 C LEU A 11 -5.283 10.331 -8.749 1.00 41.13 C ATOM 178 O LEU A 11 -4.991 11.315 -9.430 1.00 21.32 O ATOM 179 CB LEU A 11 -6.403 10.499 -6.519 1.00 23.01 C ATOM 180 CG LEU A 11 -7.566 11.151 -5.771 1.00 0.02 C ATOM 181 CD1 LEU A 11 -7.632 10.643 -4.339 1.00 61.50 C ATOM 182 CD2 LEU A 11 -7.433 12.667 -5.795 1.00 22.22 C ATOM 0 H LEU A 11 -7.383 8.409 -7.383 1.00 44.15 H new ATOM 0 HA LEU A 11 -7.272 11.032 -8.411 1.00 12.00 H new ATOM 0 HB2 LEU A 11 -6.183 9.543 -6.045 1.00 23.01 H new ATOM 0 HB3 LEU A 11 -5.521 11.127 -6.396 1.00 23.01 H new ATOM 0 HG LEU A 11 -8.494 10.879 -6.274 1.00 0.02 H new ATOM 0 HD11 LEU A 11 -8.466 11.118 -3.822 1.00 61.50 H new ATOM 0 HD12 LEU A 11 -7.776 9.563 -4.342 1.00 61.50 H new ATOM 0 HD13 LEU A 11 -6.702 10.884 -3.824 1.00 61.50 H new ATOM 0 HD21 LEU A 11 -8.269 13.114 -5.258 1.00 22.22 H new ATOM 0 HD22 LEU A 11 -6.498 12.958 -5.317 1.00 22.22 H new ATOM 0 HD23 LEU A 11 -7.437 13.016 -6.828 1.00 22.22 H new ATOM 194 N PHE A 12 -4.477 9.284 -8.609 1.00 71.44 N ATOM 195 CA PHE A 12 -3.174 9.229 -9.261 1.00 41.14 C ATOM 196 C PHE A 12 -3.089 8.035 -10.208 1.00 2.31 C ATOM 197 O PHE A 12 -2.793 6.917 -9.789 1.00 75.12 O ATOM 198 CB PHE A 12 -2.060 9.146 -8.216 1.00 21.33 C ATOM 199 CG PHE A 12 -1.841 10.430 -7.469 1.00 14.41 C ATOM 200 CD1 PHE A 12 -2.796 10.903 -6.583 1.00 12.10 C ATOM 201 CD2 PHE A 12 -0.681 11.165 -7.652 1.00 70.12 C ATOM 202 CE1 PHE A 12 -2.598 12.085 -5.895 1.00 42.32 C ATOM 203 CE2 PHE A 12 -0.477 12.348 -6.967 1.00 21.22 C ATOM 204 CZ PHE A 12 -1.436 12.808 -6.086 1.00 72.14 C ATOM 0 H PHE A 12 -4.703 8.462 -8.050 1.00 71.44 H new ATOM 0 HA PHE A 12 -3.049 10.142 -9.844 1.00 41.14 H new ATOM 0 HB2 PHE A 12 -2.300 8.357 -7.503 1.00 21.33 H new ATOM 0 HB3 PHE A 12 -1.131 8.859 -8.709 1.00 21.33 H new ATOM 0 HD1 PHE A 12 -3.705 10.341 -6.428 1.00 12.10 H new ATOM 0 HD2 PHE A 12 0.073 10.809 -8.338 1.00 70.12 H new ATOM 0 HE1 PHE A 12 -3.351 12.443 -5.209 1.00 42.32 H new ATOM 0 HE2 PHE A 12 0.431 12.912 -7.120 1.00 21.22 H new ATOM 0 HZ PHE A 12 -1.278 13.731 -5.548 1.00 72.14 H new ATOM 214 N GLY A 13 -3.351 8.283 -11.488 1.00 22.51 N ATOM 215 CA GLY A 13 -3.300 7.219 -12.474 1.00 45.33 C ATOM 216 C GLY A 13 -1.964 7.155 -13.189 1.00 12.22 C ATOM 217 O GLY A 13 -1.247 6.159 -13.093 1.00 73.22 O ATOM 0 H GLY A 13 -3.597 9.201 -11.859 1.00 22.51 H new ATOM 0 HA2 GLY A 13 -3.493 6.264 -11.984 1.00 45.33 H new ATOM 0 HA3 GLY A 13 -4.094 7.368 -13.206 1.00 45.33 H new ATOM 221 N LYS A 14 -1.629 8.220 -13.909 1.00 5.10 N ATOM 222 CA LYS A 14 -0.371 8.282 -14.644 1.00 4.03 C ATOM 223 C LYS A 14 0.813 8.389 -13.688 1.00 1.23 C ATOM 224 O LYS A 14 1.904 7.901 -13.978 1.00 44.24 O ATOM 225 CB LYS A 14 -0.375 9.474 -15.603 1.00 3.40 C ATOM 226 CG LYS A 14 0.980 9.756 -16.229 1.00 61.34 C ATOM 227 CD LYS A 14 1.597 11.029 -15.675 1.00 62.21 C ATOM 228 CE LYS A 14 1.597 12.144 -16.709 1.00 12.41 C ATOM 229 NZ LYS A 14 0.357 12.967 -16.637 1.00 62.54 N ATOM 0 H LYS A 14 -2.211 9.053 -13.999 1.00 5.10 H new ATOM 0 HA LYS A 14 -0.269 7.362 -15.219 1.00 4.03 H new ATOM 0 HB2 LYS A 14 -1.101 9.290 -16.395 1.00 3.40 H new ATOM 0 HB3 LYS A 14 -0.709 10.361 -15.065 1.00 3.40 H new ATOM 0 HG2 LYS A 14 1.649 8.916 -16.044 1.00 61.34 H new ATOM 0 HG3 LYS A 14 0.871 9.844 -17.310 1.00 61.34 H new ATOM 0 HD2 LYS A 14 1.043 11.349 -14.793 1.00 62.21 H new ATOM 0 HD3 LYS A 14 2.619 10.829 -15.354 1.00 62.21 H new ATOM 0 HE2 LYS A 14 2.466 12.783 -16.554 1.00 12.41 H new ATOM 0 HE3 LYS A 14 1.690 11.714 -17.706 1.00 12.41 H new ATOM 0 HZ1 LYS A 14 0.395 13.716 -17.357 1.00 62.54 H new ATOM 0 HZ2 LYS A 14 -0.471 12.362 -16.810 1.00 62.54 H new ATOM 0 HZ3 LYS A 14 0.281 13.398 -15.693 1.00 62.54 H new ATOM 243 N GLY A 15 0.589 9.030 -12.545 1.00 10.34 N ATOM 244 CA GLY A 15 1.646 9.188 -11.563 1.00 41.30 C ATOM 245 C GLY A 15 2.171 7.859 -11.057 1.00 52.30 C ATOM 246 O GLY A 15 3.101 7.293 -11.629 1.00 22.11 O ATOM 0 H GLY A 15 -0.306 9.443 -12.281 1.00 10.34 H new ATOM 0 HA2 GLY A 15 2.466 9.755 -12.004 1.00 41.30 H new ATOM 0 HA3 GLY A 15 1.272 9.771 -10.722 1.00 41.30 H new ATOM 250 N GLY A 16 1.573 7.360 -9.979 1.00 43.30 N ATOM 251 CA GLY A 16 2.001 6.094 -9.413 1.00 51.30 C ATOM 252 C GLY A 16 1.843 4.942 -10.385 1.00 33.22 C ATOM 253 O GLY A 16 2.804 4.535 -11.037 1.00 51.14 O ATOM 0 H GLY A 16 0.800 7.810 -9.488 1.00 43.30 H new ATOM 0 HA2 GLY A 16 3.045 6.169 -9.110 1.00 51.30 H new ATOM 0 HA3 GLY A 16 1.422 5.888 -8.513 1.00 51.30 H new TER 257 GLY A 16