USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=4 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+ 142:sc= -0.363 (180deg=-0.539) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= -0.0468 (180deg=-0.337) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0104 (180deg=-0.106) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.994 -2.237 0.800 1.00 71.52 N ATOM 2 CA VAL A 1 1.884 -1.554 -0.130 1.00 44.33 C ATOM 3 C VAL A 1 1.146 -0.460 -0.895 1.00 24.34 C ATOM 4 O VAL A 1 -0.032 -0.603 -1.218 1.00 54.52 O ATOM 5 CB VAL A 1 2.507 -2.538 -1.138 1.00 31.30 C ATOM 6 CG1 VAL A 1 3.509 -3.449 -0.445 1.00 45.34 C ATOM 7 CG2 VAL A 1 1.422 -3.353 -1.826 1.00 51.54 C ATOM 0 H1 VAL A 1 1.221 -3.252 0.816 1.00 71.52 H new ATOM 0 H2 VAL A 1 1.117 -1.840 1.753 1.00 71.52 H new ATOM 0 H3 VAL A 1 0.008 -2.108 0.495 1.00 71.52 H new ATOM 0 HA VAL A 1 2.678 -1.105 0.466 1.00 44.33 H new ATOM 0 HB VAL A 1 3.038 -1.965 -1.898 1.00 31.30 H new ATOM 0 HG11 VAL A 1 3.939 -4.137 -1.173 1.00 45.34 H new ATOM 0 HG12 VAL A 1 4.302 -2.847 -0.002 1.00 45.34 H new ATOM 0 HG13 VAL A 1 3.005 -4.016 0.337 1.00 45.34 H new ATOM 0 HG21 VAL A 1 1.880 -4.043 -2.535 1.00 51.54 H new ATOM 0 HG22 VAL A 1 0.863 -3.917 -1.080 1.00 51.54 H new ATOM 0 HG23 VAL A 1 0.745 -2.683 -2.357 1.00 51.54 H new ATOM 17 N ALA A 2 1.849 0.631 -1.180 1.00 54.25 N ATOM 18 CA ALA A 2 1.261 1.748 -1.909 1.00 51.52 C ATOM 19 C ALA A 2 1.950 1.950 -3.254 1.00 65.03 C ATOM 20 O ALA A 2 2.637 2.949 -3.467 1.00 5.33 O ATOM 21 CB ALA A 2 1.339 3.020 -1.078 1.00 3.40 C ATOM 0 H ALA A 2 2.825 0.765 -0.917 1.00 54.25 H new ATOM 0 HA ALA A 2 0.213 1.514 -2.099 1.00 51.52 H new ATOM 0 HB1 ALA A 2 0.896 3.846 -1.635 1.00 3.40 H new ATOM 0 HB2 ALA A 2 0.795 2.879 -0.144 1.00 3.40 H new ATOM 0 HB3 ALA A 2 2.382 3.248 -0.859 1.00 3.40 H new ATOM 27 N ARG A 3 1.763 0.995 -4.159 1.00 63.40 N ATOM 28 CA ARG A 3 2.369 1.067 -5.483 1.00 63.10 C ATOM 29 C ARG A 3 1.300 1.182 -6.565 1.00 75.10 C ATOM 30 O ARG A 3 1.548 1.719 -7.644 1.00 22.14 O ATOM 31 CB ARG A 3 3.237 -0.167 -5.738 1.00 42.21 C ATOM 32 CG ARG A 3 4.352 -0.348 -4.721 1.00 30.01 C ATOM 33 CD ARG A 3 5.059 -1.682 -4.901 1.00 61.22 C ATOM 34 NE ARG A 3 6.383 -1.688 -4.284 1.00 35.14 N ATOM 35 CZ ARG A 3 7.441 -1.082 -4.809 1.00 3.22 C ATOM 36 NH1 ARG A 3 7.332 -0.424 -5.955 1.00 21.21 N ATOM 37 NH2 ARG A 3 8.612 -1.132 -4.187 1.00 24.01 N ATOM 0 H ARG A 3 1.196 0.162 -3.999 1.00 63.40 H new ATOM 0 HA ARG A 3 2.996 1.958 -5.520 1.00 63.10 H new ATOM 0 HB2 ARG A 3 2.603 -1.054 -5.732 1.00 42.21 H new ATOM 0 HB3 ARG A 3 3.674 -0.094 -6.734 1.00 42.21 H new ATOM 0 HG2 ARG A 3 5.073 0.463 -4.821 1.00 30.01 H new ATOM 0 HG3 ARG A 3 3.941 -0.286 -3.714 1.00 30.01 H new ATOM 0 HD2 ARG A 3 4.452 -2.475 -4.465 1.00 61.22 H new ATOM 0 HD3 ARG A 3 5.154 -1.901 -5.964 1.00 61.22 H new ATOM 0 HE ARG A 3 6.501 -2.185 -3.401 1.00 35.14 H new ATOM 0 HH11 ARG A 3 6.433 -0.382 -6.436 1.00 21.21 H new ATOM 0 HH12 ARG A 3 8.147 0.041 -6.356 1.00 21.21 H new ATOM 0 HH21 ARG A 3 8.700 -1.636 -3.305 1.00 24.01 H new ATOM 0 HH22 ARG A 3 9.424 -0.666 -4.591 1.00 24.01 H new ATOM 51 N GLY A 4 0.108 0.673 -6.268 1.00 75.23 N ATOM 52 CA GLY A 4 -0.982 0.728 -7.226 1.00 22.15 C ATOM 53 C GLY A 4 -1.856 1.952 -7.040 1.00 3.34 C ATOM 54 O GLY A 4 -2.937 1.869 -6.457 1.00 22.42 O ATOM 0 H GLY A 4 -0.123 0.224 -5.382 1.00 75.23 H new ATOM 0 HA2 GLY A 4 -0.574 0.727 -8.237 1.00 22.15 H new ATOM 0 HA3 GLY A 4 -1.593 -0.169 -7.128 1.00 22.15 H new ATOM 58 N TRP A 5 -1.387 3.092 -7.534 1.00 42.20 N ATOM 59 CA TRP A 5 -2.133 4.340 -7.418 1.00 30.14 C ATOM 60 C TRP A 5 -3.080 4.520 -8.599 1.00 34.14 C ATOM 61 O TRP A 5 -3.690 5.577 -8.763 1.00 35.40 O ATOM 62 CB TRP A 5 -1.172 5.527 -7.333 1.00 70.13 C ATOM 63 CG TRP A 5 -0.708 5.818 -5.938 1.00 71.41 C ATOM 64 CD1 TRP A 5 0.434 5.364 -5.343 1.00 21.51 C ATOM 65 CD2 TRP A 5 -1.377 6.626 -4.964 1.00 24.13 C ATOM 66 NE1 TRP A 5 0.516 5.841 -4.057 1.00 31.10 N ATOM 67 CE2 TRP A 5 -0.582 6.618 -3.800 1.00 52.54 C ATOM 68 CE3 TRP A 5 -2.568 7.357 -4.961 1.00 64.11 C ATOM 69 CZ2 TRP A 5 -0.943 7.313 -2.649 1.00 20.54 C ATOM 70 CZ3 TRP A 5 -2.924 8.045 -3.817 1.00 74.11 C ATOM 71 CH2 TRP A 5 -2.114 8.020 -2.674 1.00 73.30 C ATOM 0 H TRP A 5 -0.494 3.178 -8.019 1.00 42.20 H new ATOM 0 HA TRP A 5 -2.726 4.296 -6.505 1.00 30.14 H new ATOM 0 HB2 TRP A 5 -0.305 5.329 -7.963 1.00 70.13 H new ATOM 0 HB3 TRP A 5 -1.663 6.412 -7.737 1.00 70.13 H new ATOM 0 HD1 TRP A 5 1.165 4.724 -5.814 1.00 21.51 H new ATOM 0 HE1 TRP A 5 1.272 5.648 -3.400 1.00 31.10 H new ATOM 0 HE3 TRP A 5 -3.199 7.384 -5.837 1.00 64.11 H new ATOM 0 HZ2 TRP A 5 -0.320 7.295 -1.767 1.00 20.54 H new ATOM 0 HZ3 TRP A 5 -3.843 8.612 -3.804 1.00 74.11 H new ATOM 0 HH2 TRP A 5 -2.420 8.569 -1.796 1.00 73.30 H new ATOM 82 N LYS A 6 -3.200 3.482 -9.419 1.00 62.23 N ATOM 83 CA LYS A 6 -4.074 3.524 -10.585 1.00 54.12 C ATOM 84 C LYS A 6 -5.138 2.433 -10.507 1.00 42.45 C ATOM 85 O LYS A 6 -5.720 2.048 -11.521 1.00 70.24 O ATOM 86 CB LYS A 6 -3.256 3.363 -11.868 1.00 72.13 C ATOM 87 CG LYS A 6 -2.267 2.212 -11.818 1.00 63.32 C ATOM 88 CD LYS A 6 -0.891 2.678 -11.372 1.00 30.31 C ATOM 89 CE LYS A 6 0.161 1.602 -11.595 1.00 3.41 C ATOM 90 NZ LYS A 6 0.385 1.337 -13.043 1.00 73.21 N ATOM 0 H LYS A 6 -2.702 2.600 -9.297 1.00 62.23 H new ATOM 0 HA LYS A 6 -4.573 4.493 -10.599 1.00 54.12 H new ATOM 0 HB2 LYS A 6 -3.936 3.210 -12.706 1.00 72.13 H new ATOM 0 HB3 LYS A 6 -2.714 4.289 -12.062 1.00 72.13 H new ATOM 0 HG2 LYS A 6 -2.632 1.447 -11.133 1.00 63.32 H new ATOM 0 HG3 LYS A 6 -2.194 1.750 -12.803 1.00 63.32 H new ATOM 0 HD2 LYS A 6 -0.615 3.578 -11.921 1.00 30.31 H new ATOM 0 HD3 LYS A 6 -0.921 2.946 -10.316 1.00 30.31 H new ATOM 0 HE2 LYS A 6 1.099 1.910 -11.133 1.00 3.41 H new ATOM 0 HE3 LYS A 6 -0.151 0.682 -11.101 1.00 3.41 H new ATOM 0 HZ1 LYS A 6 1.307 0.874 -13.173 1.00 73.21 H new ATOM 0 HZ2 LYS A 6 -0.368 0.716 -13.403 1.00 73.21 H new ATOM 0 HZ3 LYS A 6 0.372 2.236 -13.566 1.00 73.21 H new ATOM 104 N ARG A 7 -5.387 1.941 -9.298 1.00 51.33 N ATOM 105 CA ARG A 7 -6.381 0.895 -9.089 1.00 41.31 C ATOM 106 C ARG A 7 -7.475 1.368 -8.136 1.00 72.24 C ATOM 107 O ARG A 7 -8.569 1.737 -8.564 1.00 74.50 O ATOM 108 CB ARG A 7 -5.716 -0.366 -8.534 1.00 11.41 C ATOM 109 CG ARG A 7 -5.153 -1.281 -9.609 1.00 33.11 C ATOM 110 CD ARG A 7 -3.639 -1.380 -9.519 1.00 24.30 C ATOM 111 NE ARG A 7 -3.213 -2.433 -8.601 1.00 65.41 N ATOM 112 CZ ARG A 7 -3.368 -3.730 -8.847 1.00 3.41 C ATOM 113 NH1 ARG A 7 -3.936 -4.130 -9.976 1.00 25.30 N ATOM 114 NH2 ARG A 7 -2.954 -4.628 -7.962 1.00 50.03 N ATOM 0 H ARG A 7 -4.914 2.250 -8.448 1.00 51.33 H new ATOM 0 HA ARG A 7 -6.837 0.663 -10.052 1.00 41.31 H new ATOM 0 HB2 ARG A 7 -4.911 -0.075 -7.859 1.00 11.41 H new ATOM 0 HB3 ARG A 7 -6.444 -0.920 -7.942 1.00 11.41 H new ATOM 0 HG2 ARG A 7 -5.590 -2.274 -9.508 1.00 33.11 H new ATOM 0 HG3 ARG A 7 -5.436 -0.906 -10.592 1.00 33.11 H new ATOM 0 HD2 ARG A 7 -3.229 -1.575 -10.510 1.00 24.30 H new ATOM 0 HD3 ARG A 7 -3.232 -0.424 -9.188 1.00 24.30 H new ATOM 0 HE ARG A 7 -2.772 -2.158 -7.723 1.00 65.41 H new ATOM 0 HH11 ARG A 7 -4.255 -3.442 -10.658 1.00 25.30 H new ATOM 0 HH12 ARG A 7 -4.054 -5.126 -10.163 1.00 25.30 H new ATOM 0 HH21 ARG A 7 -2.517 -4.323 -7.092 1.00 50.03 H new ATOM 0 HH22 ARG A 7 -3.073 -5.623 -8.151 1.00 50.03 H new ATOM 128 N LYS A 8 -7.173 1.354 -6.843 1.00 22.33 N ATOM 129 CA LYS A 8 -8.129 1.781 -5.828 1.00 61.02 C ATOM 130 C LYS A 8 -7.862 3.221 -5.401 1.00 71.21 C ATOM 131 O LYS A 8 -8.501 3.734 -4.482 1.00 20.14 O ATOM 132 CB LYS A 8 -8.060 0.856 -4.611 1.00 72.32 C ATOM 133 CG LYS A 8 -8.046 -0.620 -4.969 1.00 61.33 C ATOM 134 CD LYS A 8 -6.641 -1.196 -4.906 1.00 40.24 C ATOM 135 CE LYS A 8 -6.641 -2.604 -4.331 1.00 42.12 C ATOM 136 NZ LYS A 8 -7.246 -3.587 -5.272 1.00 31.25 N ATOM 0 H LYS A 8 -6.272 1.051 -6.472 1.00 22.33 H new ATOM 0 HA LYS A 8 -9.128 1.728 -6.261 1.00 61.02 H new ATOM 0 HB2 LYS A 8 -7.163 1.091 -4.037 1.00 72.32 H new ATOM 0 HB3 LYS A 8 -8.914 1.056 -3.964 1.00 72.32 H new ATOM 0 HG2 LYS A 8 -8.695 -1.167 -4.286 1.00 61.33 H new ATOM 0 HG3 LYS A 8 -8.451 -0.756 -5.972 1.00 61.33 H new ATOM 0 HD2 LYS A 8 -6.207 -1.210 -5.906 1.00 40.24 H new ATOM 0 HD3 LYS A 8 -6.010 -0.552 -4.294 1.00 40.24 H new ATOM 0 HE2 LYS A 8 -5.618 -2.903 -4.102 1.00 42.12 H new ATOM 0 HE3 LYS A 8 -7.194 -2.613 -3.392 1.00 42.12 H new ATOM 0 HZ1 LYS A 8 -7.227 -4.534 -4.844 1.00 31.25 H new ATOM 0 HZ2 LYS A 8 -8.230 -3.316 -5.471 1.00 31.25 H new ATOM 0 HZ3 LYS A 8 -6.704 -3.597 -6.159 1.00 31.25 H new ATOM 150 N CYS A 9 -6.917 3.867 -6.074 1.00 41.13 N ATOM 151 CA CYS A 9 -6.566 5.249 -5.765 1.00 34.35 C ATOM 152 C CYS A 9 -6.769 6.147 -6.980 1.00 73.24 C ATOM 153 O CYS A 9 -5.820 6.538 -7.659 1.00 44.13 O ATOM 154 CB CYS A 9 -5.116 5.334 -5.289 1.00 5.25 C ATOM 155 SG CYS A 9 -4.676 4.105 -4.037 1.00 45.52 S ATOM 0 H CYS A 9 -6.380 3.456 -6.838 1.00 41.13 H new ATOM 0 HA CYS A 9 -7.223 5.595 -4.967 1.00 34.35 H new ATOM 0 HB2 CYS A 9 -4.455 5.215 -6.148 1.00 5.25 H new ATOM 0 HB3 CYS A 9 -4.936 6.330 -4.884 1.00 5.25 H new ATOM 0 HG CYS A 9 -3.430 4.256 -3.700 1.00 45.52 H new ATOM 161 N PRO A 10 -8.037 6.481 -7.265 1.00 2.14 N ATOM 162 CA PRO A 10 -8.394 7.336 -8.401 1.00 34.15 C ATOM 163 C PRO A 10 -7.955 8.782 -8.199 1.00 0.02 C ATOM 164 O PRO A 10 -8.782 9.668 -7.978 1.00 21.10 O ATOM 165 CB PRO A 10 -9.922 7.243 -8.448 1.00 24.34 C ATOM 166 CG PRO A 10 -10.324 6.906 -7.053 1.00 43.22 C ATOM 167 CD PRO A 10 -9.218 6.051 -6.498 1.00 74.24 C ATOM 0 HA PRO A 10 -7.905 7.016 -9.321 1.00 34.15 H new ATOM 0 HB2 PRO A 10 -10.366 8.184 -8.772 1.00 24.34 H new ATOM 0 HB3 PRO A 10 -10.251 6.477 -9.151 1.00 24.34 H new ATOM 0 HG2 PRO A 10 -10.456 7.808 -6.456 1.00 43.22 H new ATOM 0 HG3 PRO A 10 -11.274 6.372 -7.039 1.00 43.22 H new ATOM 0 HD2 PRO A 10 -9.083 6.213 -5.429 1.00 74.24 H new ATOM 0 HD3 PRO A 10 -9.423 4.989 -6.637 1.00 74.24 H new ATOM 175 N LEU A 11 -6.649 9.015 -8.276 1.00 74.12 N ATOM 176 CA LEU A 11 -6.100 10.355 -8.103 1.00 3.04 C ATOM 177 C LEU A 11 -5.332 10.794 -9.345 1.00 63.33 C ATOM 178 O LEU A 11 -5.808 11.622 -10.122 1.00 4.12 O ATOM 179 CB LEU A 11 -5.181 10.396 -6.880 1.00 40.33 C ATOM 180 CG LEU A 11 -5.851 10.151 -5.528 1.00 74.31 C ATOM 181 CD1 LEU A 11 -5.987 8.659 -5.262 1.00 44.53 C ATOM 182 CD2 LEU A 11 -5.065 10.824 -4.413 1.00 21.02 C ATOM 0 H LEU A 11 -5.951 8.293 -8.457 1.00 74.12 H new ATOM 0 HA LEU A 11 -6.930 11.044 -7.950 1.00 3.04 H new ATOM 0 HB2 LEU A 11 -4.397 9.651 -7.015 1.00 40.33 H new ATOM 0 HB3 LEU A 11 -4.693 11.370 -6.850 1.00 40.33 H new ATOM 0 HG LEU A 11 -6.850 10.587 -5.555 1.00 74.31 H new ATOM 0 HD11 LEU A 11 -6.466 8.504 -4.295 1.00 44.53 H new ATOM 0 HD12 LEU A 11 -6.594 8.204 -6.045 1.00 44.53 H new ATOM 0 HD13 LEU A 11 -4.999 8.199 -5.255 1.00 44.53 H new ATOM 0 HD21 LEU A 11 -5.557 10.639 -3.458 1.00 21.02 H new ATOM 0 HD22 LEU A 11 -4.054 10.419 -4.385 1.00 21.02 H new ATOM 0 HD23 LEU A 11 -5.021 11.898 -4.596 1.00 21.02 H new ATOM 194 N PHE A 12 -4.142 10.231 -9.528 1.00 43.24 N ATOM 195 CA PHE A 12 -3.308 10.563 -10.678 1.00 2.23 C ATOM 196 C PHE A 12 -3.828 9.885 -11.941 1.00 74.15 C ATOM 197 O PHE A 12 -3.434 8.766 -12.266 1.00 64.12 O ATOM 198 CB PHE A 12 -1.859 10.145 -10.421 1.00 24.01 C ATOM 199 CG PHE A 12 -1.339 10.577 -9.080 1.00 22.15 C ATOM 200 CD1 PHE A 12 -0.763 11.826 -8.914 1.00 43.14 C ATOM 201 CD2 PHE A 12 -1.426 9.733 -7.984 1.00 2.22 C ATOM 202 CE1 PHE A 12 -0.284 12.227 -7.681 1.00 64.23 C ATOM 203 CE2 PHE A 12 -0.949 10.129 -6.748 1.00 61.43 C ATOM 204 CZ PHE A 12 -0.376 11.376 -6.597 1.00 50.31 C ATOM 0 H PHE A 12 -3.734 9.543 -8.895 1.00 43.24 H new ATOM 0 HA PHE A 12 -3.347 11.642 -10.824 1.00 2.23 H new ATOM 0 HB2 PHE A 12 -1.783 9.060 -10.499 1.00 24.01 H new ATOM 0 HB3 PHE A 12 -1.224 10.566 -11.201 1.00 24.01 H new ATOM 0 HD1 PHE A 12 -0.687 12.495 -9.759 1.00 43.14 H new ATOM 0 HD2 PHE A 12 -1.871 8.755 -8.097 1.00 2.22 H new ATOM 0 HE1 PHE A 12 0.161 13.204 -7.565 1.00 64.23 H new ATOM 0 HE2 PHE A 12 -1.025 9.463 -5.901 1.00 61.43 H new ATOM 0 HZ PHE A 12 -0.000 11.686 -5.633 1.00 50.31 H new ATOM 214 N GLY A 13 -4.719 10.572 -12.651 1.00 21.21 N ATOM 215 CA GLY A 13 -5.280 10.021 -13.870 1.00 73.44 C ATOM 216 C GLY A 13 -4.594 10.549 -15.115 1.00 33.53 C ATOM 217 O GLY A 13 -5.199 10.617 -16.185 1.00 30.10 O ATOM 0 H GLY A 13 -5.062 11.500 -12.403 1.00 21.21 H new ATOM 0 HA2 GLY A 13 -5.196 8.934 -13.846 1.00 73.44 H new ATOM 0 HA3 GLY A 13 -6.343 10.258 -13.917 1.00 73.44 H new ATOM 221 N LYS A 14 -3.328 10.925 -14.975 1.00 64.05 N ATOM 222 CA LYS A 14 -2.557 11.450 -16.097 1.00 15.45 C ATOM 223 C LYS A 14 -2.233 10.347 -17.099 1.00 13.04 C ATOM 224 O LYS A 14 -2.145 10.593 -18.301 1.00 12.23 O ATOM 225 CB LYS A 14 -1.263 12.095 -15.595 1.00 72.12 C ATOM 226 CG LYS A 14 -0.291 12.450 -16.706 1.00 44.44 C ATOM 227 CD LYS A 14 0.937 11.555 -16.681 1.00 11.23 C ATOM 228 CE LYS A 14 2.165 12.307 -16.189 1.00 73.35 C ATOM 229 NZ LYS A 14 2.626 13.321 -17.178 1.00 25.44 N ATOM 0 H LYS A 14 -2.813 10.876 -14.096 1.00 64.05 H new ATOM 0 HA LYS A 14 -3.161 12.205 -16.599 1.00 15.45 H new ATOM 0 HB2 LYS A 14 -1.510 12.998 -15.037 1.00 72.12 H new ATOM 0 HB3 LYS A 14 -0.773 11.414 -14.899 1.00 72.12 H new ATOM 0 HG2 LYS A 14 -0.790 12.357 -17.671 1.00 44.44 H new ATOM 0 HG3 LYS A 14 0.015 13.491 -16.604 1.00 44.44 H new ATOM 0 HD2 LYS A 14 0.751 10.698 -16.034 1.00 11.23 H new ATOM 0 HD3 LYS A 14 1.125 11.165 -17.681 1.00 11.23 H new ATOM 0 HE2 LYS A 14 1.935 12.799 -15.244 1.00 73.35 H new ATOM 0 HE3 LYS A 14 2.970 11.599 -15.992 1.00 73.35 H new ATOM 0 HZ1 LYS A 14 3.607 13.592 -16.966 1.00 25.44 H new ATOM 0 HZ2 LYS A 14 2.578 12.919 -18.136 1.00 25.44 H new ATOM 0 HZ3 LYS A 14 2.015 14.161 -17.124 1.00 25.44 H new ATOM 243 N GLY A 15 -2.058 9.129 -16.595 1.00 71.11 N ATOM 244 CA GLY A 15 -1.747 8.006 -17.460 1.00 52.14 C ATOM 245 C GLY A 15 -2.974 7.459 -18.163 1.00 44.05 C ATOM 246 O GLY A 15 -2.898 7.028 -19.313 1.00 71.12 O ATOM 0 H GLY A 15 -2.126 8.900 -15.603 1.00 71.11 H new ATOM 0 HA2 GLY A 15 -1.014 8.317 -18.204 1.00 52.14 H new ATOM 0 HA3 GLY A 15 -1.286 7.214 -16.870 1.00 52.14 H new ATOM 250 N GLY A 16 -4.108 7.475 -17.470 1.00 30.41 N ATOM 251 CA GLY A 16 -5.339 6.972 -18.050 1.00 74.14 C ATOM 252 C GLY A 16 -5.451 5.463 -17.956 1.00 12.21 C ATOM 253 O GLY A 16 -6.524 4.899 -18.169 1.00 14.23 O ATOM 0 H GLY A 16 -4.196 7.827 -16.517 1.00 30.41 H new ATOM 0 HA2 GLY A 16 -6.189 7.428 -17.543 1.00 74.14 H new ATOM 0 HA3 GLY A 16 -5.393 7.273 -19.096 1.00 74.14 H new TER 257 GLY A 16