USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=3 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+ -113:sc= -0.463 (180deg=-0.666) USER MOD Single : A 6 LYS NZ :NH3+ -122:sc= -0.417 (180deg=-1.61!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 103:sc= -0.257 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.168 -3.636 -1.171 1.00 1.40 N ATOM 2 CA VAL A 1 0.056 -2.852 -1.048 1.00 35.22 C ATOM 3 C VAL A 1 -0.183 -1.397 -1.435 1.00 5.13 C ATOM 4 O VAL A 1 -1.278 -1.027 -1.857 1.00 21.42 O ATOM 5 CB VAL A 1 1.182 -3.428 -1.927 1.00 34.02 C ATOM 6 CG1 VAL A 1 1.560 -4.826 -1.462 1.00 74.35 C ATOM 7 CG2 VAL A 1 0.763 -3.438 -3.389 1.00 42.13 C ATOM 0 H1 VAL A 1 -1.481 -3.942 -0.227 1.00 1.40 H new ATOM 0 H2 VAL A 1 -1.910 -3.055 -1.610 1.00 1.40 H new ATOM 0 H3 VAL A 1 -0.987 -4.472 -1.763 1.00 1.40 H new ATOM 0 HA VAL A 1 0.361 -2.901 -0.003 1.00 35.22 H new ATOM 0 HB VAL A 1 2.060 -2.789 -1.829 1.00 34.02 H new ATOM 0 HG11 VAL A 1 2.357 -5.217 -2.095 1.00 74.35 H new ATOM 0 HG12 VAL A 1 1.904 -4.785 -0.429 1.00 74.35 H new ATOM 0 HG13 VAL A 1 0.690 -5.479 -1.529 1.00 74.35 H new ATOM 0 HG21 VAL A 1 1.570 -3.848 -3.996 1.00 42.13 H new ATOM 0 HG22 VAL A 1 -0.129 -4.053 -3.508 1.00 42.13 H new ATOM 0 HG23 VAL A 1 0.547 -2.420 -3.713 1.00 42.13 H new ATOM 17 N ALA A 2 0.851 -0.575 -1.288 1.00 43.33 N ATOM 18 CA ALA A 2 0.756 0.840 -1.625 1.00 13.31 C ATOM 19 C ALA A 2 1.627 1.178 -2.830 1.00 4.15 C ATOM 20 O ALA A 2 2.208 2.261 -2.903 1.00 53.44 O ATOM 21 CB ALA A 2 1.150 1.695 -0.429 1.00 71.14 C ATOM 0 H ALA A 2 1.764 -0.865 -0.938 1.00 43.33 H new ATOM 0 HA ALA A 2 -0.280 1.057 -1.887 1.00 13.31 H new ATOM 0 HB1 ALA A 2 1.074 2.749 -0.695 1.00 71.14 H new ATOM 0 HB2 ALA A 2 0.482 1.483 0.406 1.00 71.14 H new ATOM 0 HB3 ALA A 2 2.176 1.466 -0.140 1.00 71.14 H new ATOM 27 N ARG A 3 1.716 0.244 -3.771 1.00 15.21 N ATOM 28 CA ARG A 3 2.518 0.443 -4.971 1.00 64.25 C ATOM 29 C ARG A 3 1.629 0.596 -6.201 1.00 55.15 C ATOM 30 O ARG A 3 2.007 1.243 -7.177 1.00 72.44 O ATOM 31 CB ARG A 3 3.480 -0.731 -5.168 1.00 1.44 C ATOM 32 CG ARG A 3 4.724 -0.651 -4.298 1.00 11.34 C ATOM 33 CD ARG A 3 5.189 -2.032 -3.862 1.00 52.51 C ATOM 34 NE ARG A 3 6.632 -2.080 -3.644 1.00 0.52 N ATOM 35 CZ ARG A 3 7.332 -3.208 -3.606 1.00 44.40 C ATOM 36 NH1 ARG A 3 6.725 -4.375 -3.772 1.00 4.44 N ATOM 37 NH2 ARG A 3 8.643 -3.170 -3.403 1.00 2.32 N ATOM 0 H ARG A 3 1.242 -0.658 -3.725 1.00 15.21 H new ATOM 0 HA ARG A 3 3.094 1.360 -4.844 1.00 64.25 H new ATOM 0 HB2 ARG A 3 2.954 -1.661 -4.951 1.00 1.44 H new ATOM 0 HB3 ARG A 3 3.781 -0.772 -6.215 1.00 1.44 H new ATOM 0 HG2 ARG A 3 5.523 -0.154 -4.848 1.00 11.34 H new ATOM 0 HG3 ARG A 3 4.516 -0.042 -3.419 1.00 11.34 H new ATOM 0 HD2 ARG A 3 4.674 -2.315 -2.944 1.00 52.51 H new ATOM 0 HD3 ARG A 3 4.912 -2.764 -4.621 1.00 52.51 H new ATOM 0 HE ARG A 3 7.130 -1.199 -3.514 1.00 0.52 H new ATOM 0 HH11 ARG A 3 5.718 -4.408 -3.929 1.00 4.44 H new ATOM 0 HH12 ARG A 3 7.265 -5.240 -3.742 1.00 4.44 H new ATOM 0 HH21 ARG A 3 9.114 -2.274 -3.276 1.00 2.32 H new ATOM 0 HH22 ARG A 3 9.180 -4.037 -3.374 1.00 2.32 H new ATOM 51 N GLY A 4 0.443 -0.004 -6.147 1.00 24.31 N ATOM 52 CA GLY A 4 -0.481 0.077 -7.262 1.00 74.24 C ATOM 53 C GLY A 4 -1.304 1.350 -7.243 1.00 4.05 C ATOM 54 O GLY A 4 -2.437 1.358 -6.761 1.00 65.51 O ATOM 0 H GLY A 4 0.106 -0.545 -5.350 1.00 24.31 H new ATOM 0 HA2 GLY A 4 0.077 0.023 -8.197 1.00 74.24 H new ATOM 0 HA3 GLY A 4 -1.149 -0.784 -7.239 1.00 74.24 H new ATOM 58 N TRP A 5 -0.732 2.429 -7.765 1.00 13.12 N ATOM 59 CA TRP A 5 -1.420 3.715 -7.803 1.00 60.14 C ATOM 60 C TRP A 5 -2.075 3.941 -9.161 1.00 54.13 C ATOM 61 O TRP A 5 -2.555 5.036 -9.456 1.00 43.20 O ATOM 62 CB TRP A 5 -0.440 4.850 -7.501 1.00 32.33 C ATOM 63 CG TRP A 5 -0.368 5.199 -6.045 1.00 44.31 C ATOM 64 CD1 TRP A 5 0.322 4.530 -5.075 1.00 23.01 C ATOM 65 CD2 TRP A 5 -1.010 6.301 -5.395 1.00 52.53 C ATOM 66 NE1 TRP A 5 0.147 5.150 -3.861 1.00 62.31 N ATOM 67 CE2 TRP A 5 -0.665 6.239 -4.031 1.00 13.41 C ATOM 68 CE3 TRP A 5 -1.841 7.336 -5.833 1.00 74.24 C ATOM 69 CZ2 TRP A 5 -1.125 7.171 -3.104 1.00 43.42 C ATOM 70 CZ3 TRP A 5 -2.297 8.260 -4.912 1.00 63.13 C ATOM 71 CH2 TRP A 5 -1.937 8.173 -3.561 1.00 12.42 C ATOM 0 H TRP A 5 0.205 2.439 -8.167 1.00 13.12 H new ATOM 0 HA TRP A 5 -2.199 3.705 -7.041 1.00 60.14 H new ATOM 0 HB2 TRP A 5 0.553 4.566 -7.849 1.00 32.33 H new ATOM 0 HB3 TRP A 5 -0.734 5.735 -8.066 1.00 32.33 H new ATOM 0 HD1 TRP A 5 0.918 3.644 -5.238 1.00 23.01 H new ATOM 0 HE1 TRP A 5 0.556 4.848 -2.977 1.00 62.31 H new ATOM 0 HE3 TRP A 5 -2.122 7.412 -6.873 1.00 74.24 H new ATOM 0 HZ2 TRP A 5 -0.851 7.105 -2.062 1.00 43.42 H new ATOM 0 HZ3 TRP A 5 -2.942 9.062 -5.239 1.00 63.13 H new ATOM 0 HH2 TRP A 5 -2.308 8.912 -2.866 1.00 12.42 H new ATOM 82 N LYS A 6 -2.093 2.899 -9.986 1.00 15.23 N ATOM 83 CA LYS A 6 -2.692 2.983 -11.313 1.00 3.33 C ATOM 84 C LYS A 6 -3.907 2.068 -11.421 1.00 14.45 C ATOM 85 O LYS A 6 -4.326 1.704 -12.519 1.00 53.24 O ATOM 86 CB LYS A 6 -1.663 2.611 -12.383 1.00 31.41 C ATOM 87 CG LYS A 6 -1.084 1.217 -12.211 1.00 1.15 C ATOM 88 CD LYS A 6 0.308 1.263 -11.602 1.00 33.10 C ATOM 89 CE LYS A 6 1.333 1.790 -12.594 1.00 71.24 C ATOM 90 NZ LYS A 6 1.656 3.223 -12.350 1.00 71.20 N ATOM 0 H LYS A 6 -1.699 1.986 -9.759 1.00 15.23 H new ATOM 0 HA LYS A 6 -3.019 4.011 -11.473 1.00 3.33 H new ATOM 0 HB2 LYS A 6 -2.130 2.683 -13.365 1.00 31.41 H new ATOM 0 HB3 LYS A 6 -0.851 3.338 -12.363 1.00 31.41 H new ATOM 0 HG2 LYS A 6 -1.741 0.625 -11.574 1.00 1.15 H new ATOM 0 HG3 LYS A 6 -1.043 0.717 -13.179 1.00 1.15 H new ATOM 0 HD2 LYS A 6 0.298 1.898 -10.716 1.00 33.10 H new ATOM 0 HD3 LYS A 6 0.597 0.264 -11.275 1.00 33.10 H new ATOM 0 HE2 LYS A 6 2.244 1.196 -12.525 1.00 71.24 H new ATOM 0 HE3 LYS A 6 0.951 1.671 -13.608 1.00 71.24 H new ATOM 0 HZ1 LYS A 6 1.450 3.776 -13.206 1.00 71.20 H new ATOM 0 HZ2 LYS A 6 1.080 3.579 -11.561 1.00 71.20 H new ATOM 0 HZ3 LYS A 6 2.664 3.316 -12.112 1.00 71.20 H new ATOM 104 N ARG A 7 -4.470 1.702 -10.274 1.00 30.14 N ATOM 105 CA ARG A 7 -5.638 0.830 -10.240 1.00 21.11 C ATOM 106 C ARG A 7 -6.813 1.521 -9.555 1.00 10.32 C ATOM 107 O ARG A 7 -7.733 2.006 -10.214 1.00 43.33 O ATOM 108 CB ARG A 7 -5.306 -0.475 -9.513 1.00 41.24 C ATOM 109 CG ARG A 7 -4.716 -1.543 -10.419 1.00 64.12 C ATOM 110 CD ARG A 7 -3.382 -2.047 -9.890 1.00 71.42 C ATOM 111 NE ARG A 7 -3.553 -3.015 -8.810 1.00 5.15 N ATOM 112 CZ ARG A 7 -3.879 -4.287 -9.007 1.00 72.30 C ATOM 113 NH1 ARG A 7 -4.069 -4.743 -10.237 1.00 73.15 N ATOM 114 NH2 ARG A 7 -4.016 -5.107 -7.972 1.00 40.33 N ATOM 0 H ARG A 7 -4.136 1.996 -9.356 1.00 30.14 H new ATOM 0 HA ARG A 7 -5.921 0.604 -11.268 1.00 21.11 H new ATOM 0 HB2 ARG A 7 -4.602 -0.264 -8.708 1.00 41.24 H new ATOM 0 HB3 ARG A 7 -6.213 -0.864 -9.050 1.00 41.24 H new ATOM 0 HG2 ARG A 7 -5.414 -2.376 -10.503 1.00 64.12 H new ATOM 0 HG3 ARG A 7 -4.581 -1.137 -11.422 1.00 64.12 H new ATOM 0 HD2 ARG A 7 -2.820 -2.506 -10.703 1.00 71.42 H new ATOM 0 HD3 ARG A 7 -2.792 -1.204 -9.531 1.00 71.42 H new ATOM 0 HE ARG A 7 -3.414 -2.696 -7.851 1.00 5.15 H new ATOM 0 HH11 ARG A 7 -3.965 -4.116 -11.035 1.00 73.15 H new ATOM 0 HH12 ARG A 7 -4.319 -5.721 -10.385 1.00 73.15 H new ATOM 0 HH21 ARG A 7 -3.871 -4.760 -7.024 1.00 40.33 H new ATOM 0 HH22 ARG A 7 -4.266 -6.084 -8.125 1.00 40.33 H new ATOM 128 N LYS A 8 -6.776 1.562 -8.227 1.00 54.32 N ATOM 129 CA LYS A 8 -7.837 2.194 -7.451 1.00 43.42 C ATOM 130 C LYS A 8 -7.409 3.577 -6.970 1.00 25.01 C ATOM 131 O LYS A 8 -8.073 4.185 -6.130 1.00 3.41 O ATOM 132 CB LYS A 8 -8.211 1.319 -6.253 1.00 72.02 C ATOM 133 CG LYS A 8 -7.050 1.047 -5.312 1.00 73.33 C ATOM 134 CD LYS A 8 -7.175 1.847 -4.027 1.00 2.32 C ATOM 135 CE LYS A 8 -8.304 1.325 -3.152 1.00 71.00 C ATOM 136 NZ LYS A 8 -8.227 1.865 -1.766 1.00 74.23 N ATOM 0 H LYS A 8 -6.023 1.165 -7.666 1.00 54.32 H new ATOM 0 HA LYS A 8 -8.708 2.307 -8.097 1.00 43.42 H new ATOM 0 HB2 LYS A 8 -9.013 1.804 -5.696 1.00 72.02 H new ATOM 0 HB3 LYS A 8 -8.604 0.369 -6.616 1.00 72.02 H new ATOM 0 HG2 LYS A 8 -7.012 -0.017 -5.077 1.00 73.33 H new ATOM 0 HG3 LYS A 8 -6.112 1.297 -5.808 1.00 73.33 H new ATOM 0 HD2 LYS A 8 -6.236 1.801 -3.476 1.00 2.32 H new ATOM 0 HD3 LYS A 8 -7.354 2.895 -4.266 1.00 2.32 H new ATOM 0 HE2 LYS A 8 -9.262 1.597 -3.595 1.00 71.00 H new ATOM 0 HE3 LYS A 8 -8.265 0.236 -3.120 1.00 71.00 H new ATOM 0 HZ1 LYS A 8 -9.014 1.486 -1.201 1.00 74.23 H new ATOM 0 HZ2 LYS A 8 -7.324 1.584 -1.334 1.00 74.23 H new ATOM 0 HZ3 LYS A 8 -8.290 2.903 -1.794 1.00 74.23 H new ATOM 150 N CYS A 9 -6.297 4.068 -7.508 1.00 34.43 N ATOM 151 CA CYS A 9 -5.781 5.379 -7.133 1.00 53.52 C ATOM 152 C CYS A 9 -5.694 6.297 -8.349 1.00 22.43 C ATOM 153 O CYS A 9 -4.631 6.483 -8.942 1.00 21.54 O ATOM 154 CB CYS A 9 -4.404 5.242 -6.483 1.00 31.03 C ATOM 155 SG CYS A 9 -4.305 3.940 -5.232 1.00 13.35 S ATOM 0 H CYS A 9 -5.736 3.578 -8.205 1.00 34.43 H new ATOM 0 HA CYS A 9 -6.471 5.822 -6.414 1.00 53.52 H new ATOM 0 HB2 CYS A 9 -3.666 5.042 -7.260 1.00 31.03 H new ATOM 0 HB3 CYS A 9 -4.134 6.193 -6.024 1.00 31.03 H new ATOM 0 HG CYS A 9 -3.705 2.901 -5.733 1.00 13.35 H new ATOM 161 N PRO A 10 -6.838 6.883 -8.731 1.00 42.22 N ATOM 162 CA PRO A 10 -6.917 7.790 -9.880 1.00 63.13 C ATOM 163 C PRO A 10 -6.209 9.116 -9.622 1.00 63.45 C ATOM 164 O PRO A 10 -6.060 9.938 -10.527 1.00 61.04 O ATOM 165 CB PRO A 10 -8.421 8.012 -10.054 1.00 53.21 C ATOM 166 CG PRO A 10 -8.999 7.769 -8.702 1.00 44.53 C ATOM 167 CD PRO A 10 -8.142 6.707 -8.071 1.00 32.01 C ATOM 0 HA PRO A 10 -6.429 7.374 -10.761 1.00 63.13 H new ATOM 0 HB2 PRO A 10 -8.634 9.023 -10.400 1.00 53.21 H new ATOM 0 HB3 PRO A 10 -8.839 7.328 -10.792 1.00 53.21 H new ATOM 0 HG2 PRO A 10 -8.993 8.681 -8.105 1.00 44.53 H new ATOM 0 HG3 PRO A 10 -10.036 7.442 -8.774 1.00 44.53 H new ATOM 0 HD2 PRO A 10 -8.067 6.840 -6.992 1.00 32.01 H new ATOM 0 HD3 PRO A 10 -8.547 5.710 -8.242 1.00 32.01 H new ATOM 175 N LEU A 11 -5.773 9.317 -8.384 1.00 14.23 N ATOM 176 CA LEU A 11 -5.080 10.544 -8.007 1.00 23.13 C ATOM 177 C LEU A 11 -3.771 10.689 -8.777 1.00 74.45 C ATOM 178 O LEU A 11 -3.468 11.756 -9.311 1.00 24.12 O ATOM 179 CB LEU A 11 -4.803 10.555 -6.502 1.00 65.34 C ATOM 180 CG LEU A 11 -5.909 11.135 -5.620 1.00 64.42 C ATOM 181 CD1 LEU A 11 -5.881 10.495 -4.240 1.00 52.55 C ATOM 182 CD2 LEU A 11 -5.768 12.646 -5.513 1.00 21.02 C ATOM 0 H LEU A 11 -5.887 8.646 -7.624 1.00 14.23 H new ATOM 0 HA LEU A 11 -5.724 11.387 -8.258 1.00 23.13 H new ATOM 0 HB2 LEU A 11 -4.609 9.531 -6.181 1.00 65.34 H new ATOM 0 HB3 LEU A 11 -3.890 11.123 -6.325 1.00 65.34 H new ATOM 0 HG LEU A 11 -6.871 10.912 -6.082 1.00 64.42 H new ATOM 0 HD11 LEU A 11 -6.675 10.920 -3.626 1.00 52.55 H new ATOM 0 HD12 LEU A 11 -6.031 9.420 -4.335 1.00 52.55 H new ATOM 0 HD13 LEU A 11 -4.917 10.686 -3.770 1.00 52.55 H new ATOM 0 HD21 LEU A 11 -6.563 13.042 -4.882 1.00 21.02 H new ATOM 0 HD22 LEU A 11 -4.801 12.891 -5.074 1.00 21.02 H new ATOM 0 HD23 LEU A 11 -5.839 13.089 -6.506 1.00 21.02 H new ATOM 194 N PHE A 12 -3.001 9.607 -8.834 1.00 12.12 N ATOM 195 CA PHE A 12 -1.726 9.613 -9.541 1.00 22.13 C ATOM 196 C PHE A 12 -1.720 8.578 -10.662 1.00 35.44 C ATOM 197 O PHE A 12 -0.682 8.005 -10.988 1.00 24.02 O ATOM 198 CB PHE A 12 -0.578 9.334 -8.568 1.00 31.21 C ATOM 199 CG PHE A 12 -0.276 10.485 -7.651 1.00 60.43 C ATOM 200 CD1 PHE A 12 -1.174 10.855 -6.664 1.00 12.24 C ATOM 201 CD2 PHE A 12 0.906 11.196 -7.778 1.00 1.32 C ATOM 202 CE1 PHE A 12 -0.899 11.914 -5.818 1.00 71.51 C ATOM 203 CE2 PHE A 12 1.187 12.255 -6.935 1.00 52.21 C ATOM 204 CZ PHE A 12 0.283 12.615 -5.955 1.00 14.01 C ATOM 0 H PHE A 12 -3.238 8.715 -8.399 1.00 12.12 H new ATOM 0 HA PHE A 12 -1.588 10.600 -9.982 1.00 22.13 H new ATOM 0 HB2 PHE A 12 -0.825 8.458 -7.969 1.00 31.21 H new ATOM 0 HB3 PHE A 12 0.319 9.088 -9.137 1.00 31.21 H new ATOM 0 HD1 PHE A 12 -2.100 10.310 -6.554 1.00 12.24 H new ATOM 0 HD2 PHE A 12 1.616 10.920 -8.544 1.00 1.32 H new ATOM 0 HE1 PHE A 12 -1.607 12.192 -5.052 1.00 71.51 H new ATOM 0 HE2 PHE A 12 2.113 12.800 -7.043 1.00 52.21 H new ATOM 0 HZ PHE A 12 0.500 13.443 -5.297 1.00 14.01 H new ATOM 214 N GLY A 13 -2.891 8.342 -11.248 1.00 3.35 N ATOM 215 CA GLY A 13 -3.000 7.376 -12.325 1.00 1.02 C ATOM 216 C GLY A 13 -2.880 8.017 -13.693 1.00 41.11 C ATOM 217 O GLY A 13 -2.547 7.350 -14.673 1.00 0.11 O ATOM 0 H GLY A 13 -3.765 8.803 -10.996 1.00 3.35 H new ATOM 0 HA2 GLY A 13 -2.222 6.621 -12.212 1.00 1.02 H new ATOM 0 HA3 GLY A 13 -3.958 6.861 -12.251 1.00 1.02 H new ATOM 221 N LYS A 14 -3.153 9.316 -13.762 1.00 72.43 N ATOM 222 CA LYS A 14 -3.075 10.048 -15.020 1.00 41.44 C ATOM 223 C LYS A 14 -1.640 10.473 -15.314 1.00 64.24 C ATOM 224 O LYS A 14 -1.141 11.444 -14.748 1.00 3.04 O ATOM 225 CB LYS A 14 -3.983 11.280 -14.975 1.00 22.54 C ATOM 226 CG LYS A 14 -5.125 11.230 -15.974 1.00 53.32 C ATOM 227 CD LYS A 14 -6.155 10.180 -15.593 1.00 14.45 C ATOM 228 CE LYS A 14 -7.366 10.807 -14.918 1.00 72.01 C ATOM 229 NZ LYS A 14 -8.265 11.474 -15.901 1.00 30.25 N ATOM 0 H LYS A 14 -3.430 9.883 -12.961 1.00 72.43 H new ATOM 0 HA LYS A 14 -3.411 9.385 -15.818 1.00 41.44 H new ATOM 0 HB2 LYS A 14 -4.394 11.382 -13.971 1.00 22.54 H new ATOM 0 HB3 LYS A 14 -3.383 12.170 -15.165 1.00 22.54 H new ATOM 0 HG2 LYS A 14 -5.604 12.207 -16.029 1.00 53.32 H new ATOM 0 HG3 LYS A 14 -4.732 11.011 -16.967 1.00 53.32 H new ATOM 0 HD2 LYS A 14 -6.473 9.640 -16.485 1.00 14.45 H new ATOM 0 HD3 LYS A 14 -5.701 9.450 -14.923 1.00 14.45 H new ATOM 0 HE2 LYS A 14 -7.921 10.038 -14.381 1.00 72.01 H new ATOM 0 HE3 LYS A 14 -7.033 11.535 -14.178 1.00 72.01 H new ATOM 0 HZ1 LYS A 14 -9.078 11.889 -15.402 1.00 30.25 H new ATOM 0 HZ2 LYS A 14 -7.742 12.225 -16.396 1.00 30.25 H new ATOM 0 HZ3 LYS A 14 -8.603 10.775 -16.592 1.00 30.25 H new ATOM 243 N GLY A 15 -0.981 9.739 -16.206 1.00 62.40 N ATOM 244 CA GLY A 15 0.390 10.056 -16.561 1.00 22.15 C ATOM 245 C GLY A 15 0.483 10.910 -17.809 1.00 3.50 C ATOM 246 O GLY A 15 1.175 11.928 -17.823 1.00 60.33 O ATOM 0 H GLY A 15 -1.372 8.930 -16.689 1.00 62.40 H new ATOM 0 HA2 GLY A 15 0.865 10.578 -15.731 1.00 22.15 H new ATOM 0 HA3 GLY A 15 0.945 9.131 -16.715 1.00 22.15 H new ATOM 250 N GLY A 16 -0.215 10.496 -18.862 1.00 23.40 N ATOM 251 CA GLY A 16 -0.193 11.241 -20.107 1.00 64.20 C ATOM 252 C GLY A 16 -1.208 12.366 -20.127 1.00 72.14 C ATOM 253 O GLY A 16 -0.930 13.471 -19.662 1.00 23.23 O ATOM 0 H GLY A 16 -0.796 9.657 -18.875 1.00 23.40 H new ATOM 0 HA2 GLY A 16 0.804 11.653 -20.263 1.00 64.20 H new ATOM 0 HA3 GLY A 16 -0.391 10.562 -20.937 1.00 64.20 H new TER 257 GLY A 16