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+ 139:sc= -0.33 (180deg=-0.558) 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 105:sc= -0.118 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.030 -2.989 0.759 1.00 72.14 N ATOM 2 CA VAL A 1 0.390 -1.582 0.636 1.00 2.31 C ATOM 3 C VAL A 1 -0.144 -0.989 -0.663 1.00 2.31 C ATOM 4 O VAL A 1 -0.600 -1.714 -1.547 1.00 3.53 O ATOM 5 CB VAL A 1 1.917 -1.387 0.687 1.00 43.12 C ATOM 6 CG1 VAL A 1 2.445 -1.663 2.087 1.00 53.04 C ATOM 7 CG2 VAL A 1 2.602 -2.281 -0.336 1.00 3.31 C ATOM 0 H1 VAL A 1 0.837 -3.522 1.141 1.00 72.14 H new ATOM 0 H2 VAL A 1 -0.783 -3.085 1.401 1.00 72.14 H new ATOM 0 H3 VAL A 1 -0.222 -3.366 -0.177 1.00 72.14 H new ATOM 0 HA VAL A 1 -0.064 -1.064 1.481 1.00 2.31 H new ATOM 0 HB VAL A 1 2.142 -0.350 0.438 1.00 43.12 H new ATOM 0 HG11 VAL A 1 3.525 -1.520 2.103 1.00 53.04 H new ATOM 0 HG12 VAL A 1 1.978 -0.977 2.794 1.00 53.04 H new ATOM 0 HG13 VAL A 1 2.211 -2.690 2.368 1.00 53.04 H new ATOM 0 HG21 VAL A 1 3.680 -2.131 -0.286 1.00 3.31 H new ATOM 0 HG22 VAL A 1 2.371 -3.324 -0.120 1.00 3.31 H new ATOM 0 HG23 VAL A 1 2.246 -2.030 -1.335 1.00 3.31 H new ATOM 17 N ALA A 2 -0.084 0.334 -0.772 1.00 4.53 N ATOM 18 CA ALA A 2 -0.559 1.025 -1.964 1.00 2.41 C ATOM 19 C ALA A 2 0.585 1.292 -2.936 1.00 41.24 C ATOM 20 O ALA A 2 0.803 2.429 -3.356 1.00 72.35 O ATOM 21 CB ALA A 2 -1.243 2.329 -1.581 1.00 14.12 C ATOM 0 H ALA A 2 0.289 0.949 -0.049 1.00 4.53 H new ATOM 0 HA ALA A 2 -1.283 0.381 -2.463 1.00 2.41 H new ATOM 0 HB1 ALA A 2 -1.593 2.834 -2.481 1.00 14.12 H new ATOM 0 HB2 ALA A 2 -2.092 2.117 -0.931 1.00 14.12 H new ATOM 0 HB3 ALA A 2 -0.535 2.971 -1.056 1.00 14.12 H new ATOM 27 N ARG A 3 1.313 0.238 -3.290 1.00 3.13 N ATOM 28 CA ARG A 3 2.436 0.360 -4.211 1.00 64.44 C ATOM 29 C ARG A 3 1.960 0.789 -5.596 1.00 15.03 C ATOM 30 O ARG A 3 2.669 1.487 -6.319 1.00 12.10 O ATOM 31 CB ARG A 3 3.190 -0.968 -4.309 1.00 34.41 C ATOM 32 CG ARG A 3 2.311 -2.138 -4.720 1.00 72.23 C ATOM 33 CD ARG A 3 2.806 -3.445 -4.120 1.00 53.11 C ATOM 34 NE ARG A 3 3.020 -4.469 -5.139 1.00 55.01 N ATOM 35 CZ ARG A 3 2.033 -5.094 -5.772 1.00 15.34 C ATOM 36 NH1 ARG A 3 0.770 -4.800 -5.492 1.00 4.33 N ATOM 37 NH2 ARG A 3 2.307 -6.014 -6.687 1.00 23.31 N ATOM 0 H ARG A 3 1.145 -0.710 -2.953 1.00 3.13 H new ATOM 0 HA ARG A 3 3.109 1.125 -3.823 1.00 64.44 H new ATOM 0 HB2 ARG A 3 4.001 -0.863 -5.029 1.00 34.41 H new ATOM 0 HB3 ARG A 3 3.647 -1.189 -3.344 1.00 34.41 H new ATOM 0 HG2 ARG A 3 1.286 -1.954 -4.399 1.00 72.23 H new ATOM 0 HG3 ARG A 3 2.295 -2.218 -5.807 1.00 72.23 H new ATOM 0 HD2 ARG A 3 3.738 -3.267 -3.583 1.00 53.11 H new ATOM 0 HD3 ARG A 3 2.082 -3.806 -3.390 1.00 53.11 H new ATOM 0 HE ARG A 3 3.980 -4.718 -5.378 1.00 55.01 H new ATOM 0 HH11 ARG A 3 0.555 -4.093 -4.789 1.00 4.33 H new ATOM 0 HH12 ARG A 3 0.014 -5.281 -5.979 1.00 4.33 H new ATOM 0 HH21 ARG A 3 3.277 -6.243 -6.906 1.00 23.31 H new ATOM 0 HH22 ARG A 3 1.548 -6.493 -7.172 1.00 23.31 H new ATOM 51 N GLY A 4 0.752 0.366 -5.958 1.00 62.31 N ATOM 52 CA GLY A 4 0.202 0.715 -7.254 1.00 54.44 C ATOM 53 C GLY A 4 -0.635 1.979 -7.207 1.00 64.25 C ATOM 54 O GLY A 4 -1.800 1.945 -6.812 1.00 40.23 O ATOM 0 H GLY A 4 0.145 -0.212 -5.376 1.00 62.31 H new ATOM 0 HA2 GLY A 4 1.016 0.848 -7.967 1.00 54.44 H new ATOM 0 HA3 GLY A 4 -0.410 -0.109 -7.619 1.00 54.44 H new ATOM 58 N TRP A 5 -0.039 3.096 -7.610 1.00 20.53 N ATOM 59 CA TRP A 5 -0.737 4.376 -7.610 1.00 1.30 C ATOM 60 C TRP A 5 -1.361 4.656 -8.973 1.00 20.13 C ATOM 61 O TRP A 5 -1.839 5.760 -9.233 1.00 54.01 O ATOM 62 CB TRP A 5 0.225 5.505 -7.235 1.00 22.34 C ATOM 63 CG TRP A 5 0.294 5.760 -5.759 1.00 41.44 C ATOM 64 CD1 TRP A 5 1.051 5.085 -4.845 1.00 34.10 C ATOM 65 CD2 TRP A 5 -0.423 6.762 -5.029 1.00 21.51 C ATOM 66 NE1 TRP A 5 0.847 5.606 -3.590 1.00 22.32 N ATOM 67 CE2 TRP A 5 -0.052 6.636 -3.676 1.00 24.21 C ATOM 68 CE3 TRP A 5 -1.340 7.753 -5.386 1.00 54.11 C ATOM 69 CZ2 TRP A 5 -0.568 7.464 -2.683 1.00 21.34 C ATOM 70 CZ3 TRP A 5 -1.852 8.574 -4.399 1.00 71.21 C ATOM 71 CH2 TRP A 5 -1.465 8.426 -3.061 1.00 25.13 C ATOM 0 H TRP A 5 0.925 3.141 -7.941 1.00 20.53 H new ATOM 0 HA TRP A 5 -1.535 4.326 -6.869 1.00 1.30 H new ATOM 0 HB2 TRP A 5 1.222 5.260 -7.601 1.00 22.34 H new ATOM 0 HB3 TRP A 5 -0.085 6.420 -7.741 1.00 22.34 H new ATOM 0 HD1 TRP A 5 1.713 4.263 -5.075 1.00 34.10 H new ATOM 0 HE1 TRP A 5 1.293 5.279 -2.733 1.00 22.32 H new ATOM 0 HE3 TRP A 5 -1.644 7.876 -6.415 1.00 54.11 H new ATOM 0 HZ2 TRP A 5 -0.271 7.351 -1.651 1.00 21.34 H new ATOM 0 HZ3 TRP A 5 -2.563 9.343 -4.664 1.00 71.21 H new ATOM 0 HH2 TRP A 5 -1.883 9.084 -2.313 1.00 25.13 H new ATOM 82 N LYS A 6 -1.353 3.649 -9.840 1.00 14.22 N ATOM 83 CA LYS A 6 -1.920 3.786 -11.176 1.00 72.33 C ATOM 84 C LYS A 6 -3.100 2.837 -11.367 1.00 4.14 C ATOM 85 O LYS A 6 -3.480 2.523 -12.495 1.00 10.44 O ATOM 86 CB LYS A 6 -0.852 3.508 -12.236 1.00 72.44 C ATOM 87 CG LYS A 6 -0.242 2.120 -12.136 1.00 1.33 C ATOM 88 CD LYS A 6 -0.938 1.136 -13.060 1.00 55.24 C ATOM 89 CE LYS A 6 0.011 0.044 -13.530 1.00 11.45 C ATOM 90 NZ LYS A 6 -0.406 -0.527 -14.840 1.00 24.51 N ATOM 0 H LYS A 6 -0.960 2.729 -9.641 1.00 14.22 H new ATOM 0 HA LYS A 6 -2.278 4.809 -11.288 1.00 72.33 H new ATOM 0 HB2 LYS A 6 -1.293 3.631 -13.225 1.00 72.44 H new ATOM 0 HB3 LYS A 6 -0.060 4.251 -12.145 1.00 72.44 H new ATOM 0 HG2 LYS A 6 0.818 2.169 -12.387 1.00 1.33 H new ATOM 0 HG3 LYS A 6 -0.310 1.765 -11.108 1.00 1.33 H new ATOM 0 HD2 LYS A 6 -1.784 0.685 -12.542 1.00 55.24 H new ATOM 0 HD3 LYS A 6 -1.339 1.667 -13.923 1.00 55.24 H new ATOM 0 HE2 LYS A 6 1.019 0.451 -13.615 1.00 11.45 H new ATOM 0 HE3 LYS A 6 0.050 -0.750 -12.784 1.00 11.45 H new ATOM 0 HZ1 LYS A 6 0.266 -1.268 -15.126 1.00 24.51 H new ATOM 0 HZ2 LYS A 6 -1.357 -0.938 -14.753 1.00 24.51 H new ATOM 0 HZ3 LYS A 6 -0.418 0.225 -15.558 1.00 24.51 H new ATOM 104 N ARG A 7 -3.675 2.385 -10.257 1.00 4.21 N ATOM 105 CA ARG A 7 -4.811 1.473 -10.302 1.00 61.14 C ATOM 106 C ARG A 7 -6.025 2.082 -9.608 1.00 32.14 C ATOM 107 O ARG A 7 -6.948 2.570 -10.260 1.00 43.54 O ATOM 108 CB ARG A 7 -4.449 0.140 -9.644 1.00 43.14 C ATOM 109 CG ARG A 7 -3.680 -0.801 -10.558 1.00 0.14 C ATOM 110 CD ARG A 7 -2.594 -1.549 -9.800 1.00 13.01 C ATOM 111 NE ARG A 7 -2.738 -2.997 -9.926 1.00 4.14 N ATOM 112 CZ ARG A 7 -1.853 -3.867 -9.451 1.00 42.14 C ATOM 113 NH1 ARG A 7 -0.767 -3.438 -8.823 1.00 51.51 N ATOM 114 NH2 ARG A 7 -2.053 -5.170 -9.605 1.00 15.50 N ATOM 0 H ARG A 7 -3.372 2.636 -9.316 1.00 4.21 H new ATOM 0 HA ARG A 7 -5.062 1.297 -11.348 1.00 61.14 H new ATOM 0 HB2 ARG A 7 -3.853 0.335 -8.752 1.00 43.14 H new ATOM 0 HB3 ARG A 7 -5.364 -0.353 -9.315 1.00 43.14 H new ATOM 0 HG2 ARG A 7 -4.369 -1.516 -11.009 1.00 0.14 H new ATOM 0 HG3 ARG A 7 -3.231 -0.233 -11.373 1.00 0.14 H new ATOM 0 HD2 ARG A 7 -1.616 -1.248 -10.176 1.00 13.01 H new ATOM 0 HD3 ARG A 7 -2.630 -1.271 -8.747 1.00 13.01 H new ATOM 0 HE ARG A 7 -3.562 -3.360 -10.404 1.00 4.14 H new ATOM 0 HH11 ARG A 7 -0.609 -2.437 -8.703 1.00 51.51 H new ATOM 0 HH12 ARG A 7 -0.090 -4.108 -8.460 1.00 51.51 H new ATOM 0 HH21 ARG A 7 -2.887 -5.504 -10.088 1.00 15.50 H new ATOM 0 HH22 ARG A 7 -1.373 -5.837 -9.240 1.00 15.50 H new ATOM 128 N LYS A 8 -6.019 2.049 -8.279 1.00 63.13 N ATOM 129 CA LYS A 8 -7.118 2.598 -7.494 1.00 72.34 C ATOM 130 C LYS A 8 -6.761 3.976 -6.947 1.00 52.14 C ATOM 131 O LYS A 8 -7.481 4.530 -6.116 1.00 34.23 O ATOM 132 CB LYS A 8 -7.469 1.655 -6.341 1.00 71.22 C ATOM 133 CG LYS A 8 -7.586 0.199 -6.760 1.00 3.44 C ATOM 134 CD LYS A 8 -6.419 -0.625 -6.241 1.00 53.02 C ATOM 135 CE LYS A 8 -6.722 -2.115 -6.295 1.00 41.44 C ATOM 136 NZ LYS A 8 -6.139 -2.842 -5.134 1.00 45.31 N ATOM 0 H LYS A 8 -5.264 1.647 -7.723 1.00 63.13 H new ATOM 0 HA LYS A 8 -7.984 2.700 -8.149 1.00 72.34 H new ATOM 0 HB2 LYS A 8 -6.706 1.741 -5.567 1.00 71.22 H new ATOM 0 HB3 LYS A 8 -8.412 1.973 -5.896 1.00 71.22 H new ATOM 0 HG2 LYS A 8 -8.521 -0.215 -6.383 1.00 3.44 H new ATOM 0 HG3 LYS A 8 -7.624 0.134 -7.847 1.00 3.44 H new ATOM 0 HD2 LYS A 8 -5.529 -0.412 -6.834 1.00 53.02 H new ATOM 0 HD3 LYS A 8 -6.195 -0.335 -5.214 1.00 53.02 H new ATOM 0 HE2 LYS A 8 -7.801 -2.266 -6.313 1.00 41.44 H new ATOM 0 HE3 LYS A 8 -6.326 -2.533 -7.221 1.00 41.44 H new ATOM 0 HZ1 LYS A 8 -6.368 -3.854 -5.208 1.00 45.31 H new ATOM 0 HZ2 LYS A 8 -5.106 -2.720 -5.131 1.00 45.31 H new ATOM 0 HZ3 LYS A 8 -6.535 -2.461 -4.251 1.00 45.31 H new ATOM 150 N CYS A 9 -5.648 4.525 -7.420 1.00 25.31 N ATOM 151 CA CYS A 9 -5.196 5.839 -6.978 1.00 43.42 C ATOM 152 C CYS A 9 -5.092 6.803 -8.156 1.00 63.41 C ATOM 153 O CYS A 9 -4.013 7.046 -8.698 1.00 30.34 O ATOM 154 CB CYS A 9 -3.842 5.727 -6.275 1.00 35.23 C ATOM 155 SG CYS A 9 -3.739 4.367 -5.087 1.00 43.41 S ATOM 0 H CYS A 9 -5.042 4.081 -8.110 1.00 25.31 H new ATOM 0 HA CYS A 9 -5.931 6.230 -6.275 1.00 43.42 H new ATOM 0 HB2 CYS A 9 -3.063 5.598 -7.027 1.00 35.23 H new ATOM 0 HB3 CYS A 9 -3.634 6.664 -5.758 1.00 35.23 H new ATOM 0 HG CYS A 9 -3.028 3.403 -5.592 1.00 43.41 H new ATOM 161 N PRO A 10 -6.239 7.364 -8.565 1.00 33.10 N ATOM 162 CA PRO A 10 -6.304 8.309 -9.684 1.00 22.31 C ATOM 163 C PRO A 10 -5.654 9.647 -9.351 1.00 2.23 C ATOM 164 O PRO A 10 -5.498 10.507 -10.219 1.00 61.32 O ATOM 165 CB PRO A 10 -7.807 8.486 -9.912 1.00 41.30 C ATOM 166 CG PRO A 10 -8.429 8.175 -8.595 1.00 13.23 C ATOM 167 CD PRO A 10 -7.562 7.120 -7.966 1.00 32.21 C ATOM 0 HA PRO A 10 -5.767 7.943 -10.559 1.00 22.31 H new ATOM 0 HB2 PRO A 10 -8.042 9.501 -10.231 1.00 41.30 H new ATOM 0 HB3 PRO A 10 -8.171 7.815 -10.690 1.00 41.30 H new ATOM 0 HG2 PRO A 10 -8.479 9.065 -7.967 1.00 13.23 H new ATOM 0 HG3 PRO A 10 -9.451 7.816 -8.721 1.00 13.23 H new ATOM 0 HD2 PRO A 10 -7.536 7.216 -6.881 1.00 32.21 H new ATOM 0 HD3 PRO A 10 -7.925 6.117 -8.188 1.00 32.21 H new ATOM 175 N LEU A 11 -5.276 9.818 -8.089 1.00 24.03 N ATOM 176 CA LEU A 11 -4.641 11.053 -7.641 1.00 32.25 C ATOM 177 C LEU A 11 -3.287 11.245 -8.315 1.00 24.11 C ATOM 178 O LEU A 11 -2.962 12.338 -8.779 1.00 71.03 O ATOM 179 CB LEU A 11 -4.470 11.039 -6.121 1.00 24.44 C ATOM 180 CG LEU A 11 -5.757 11.110 -5.299 1.00 52.30 C ATOM 181 CD1 LEU A 11 -5.866 9.910 -4.371 1.00 41.32 C ATOM 182 CD2 LEU A 11 -5.812 12.407 -4.505 1.00 4.40 C ATOM 0 H LEU A 11 -5.398 9.117 -7.358 1.00 24.03 H new ATOM 0 HA LEU A 11 -5.286 11.886 -7.920 1.00 32.25 H new ATOM 0 HB2 LEU A 11 -3.936 10.130 -5.844 1.00 24.44 H new ATOM 0 HB3 LEU A 11 -3.836 11.880 -5.839 1.00 24.44 H new ATOM 0 HG LEU A 11 -6.604 11.091 -5.985 1.00 52.30 H new ATOM 0 HD11 LEU A 11 -6.788 9.979 -3.794 1.00 41.32 H new ATOM 0 HD12 LEU A 11 -5.874 8.993 -4.961 1.00 41.32 H new ATOM 0 HD13 LEU A 11 -5.014 9.897 -3.692 1.00 41.32 H new ATOM 0 HD21 LEU A 11 -6.735 12.440 -3.926 1.00 4.40 H new ATOM 0 HD22 LEU A 11 -4.958 12.457 -3.830 1.00 4.40 H new ATOM 0 HD23 LEU A 11 -5.783 13.254 -5.190 1.00 4.40 H new ATOM 194 N PHE A 12 -2.500 10.175 -8.367 1.00 73.10 N ATOM 195 CA PHE A 12 -1.181 10.225 -8.986 1.00 41.10 C ATOM 196 C PHE A 12 -1.088 9.241 -10.149 1.00 2.24 C ATOM 197 O PHE A 12 -0.022 8.696 -10.431 1.00 22.12 O ATOM 198 CB PHE A 12 -0.097 9.914 -7.952 1.00 1.21 C ATOM 199 CG PHE A 12 0.070 10.990 -6.917 1.00 22.42 C ATOM 200 CD1 PHE A 12 -0.922 11.228 -5.979 1.00 61.45 C ATOM 201 CD2 PHE A 12 1.219 11.763 -6.882 1.00 24.14 C ATOM 202 CE1 PHE A 12 -0.771 12.216 -5.025 1.00 51.33 C ATOM 203 CE2 PHE A 12 1.376 12.753 -5.930 1.00 30.44 C ATOM 204 CZ PHE A 12 0.379 12.980 -5.001 1.00 40.42 C ATOM 0 H PHE A 12 -2.753 9.263 -7.988 1.00 73.10 H new ATOM 0 HA PHE A 12 -1.026 11.232 -9.372 1.00 41.10 H new ATOM 0 HB2 PHE A 12 -0.340 8.976 -7.453 1.00 1.21 H new ATOM 0 HB3 PHE A 12 0.852 9.765 -8.466 1.00 1.21 H new ATOM 0 HD1 PHE A 12 -1.824 10.634 -5.994 1.00 61.45 H new ATOM 0 HD2 PHE A 12 2.001 11.590 -7.607 1.00 24.14 H new ATOM 0 HE1 PHE A 12 -1.551 12.390 -4.299 1.00 51.33 H new ATOM 0 HE2 PHE A 12 2.277 13.348 -5.913 1.00 30.44 H new ATOM 0 HZ PHE A 12 0.499 13.754 -4.257 1.00 40.42 H new ATOM 214 N GLY A 13 -2.214 9.019 -10.820 1.00 21.11 N ATOM 215 CA GLY A 13 -2.239 8.101 -11.943 1.00 61.34 C ATOM 216 C GLY A 13 -2.258 8.818 -13.278 1.00 53.44 C ATOM 217 O GLY A 13 -1.218 8.993 -13.914 1.00 32.33 O ATOM 0 H GLY A 13 -3.109 9.459 -10.606 1.00 21.11 H new ATOM 0 HA2 GLY A 13 -1.366 7.451 -11.896 1.00 61.34 H new ATOM 0 HA3 GLY A 13 -3.118 7.461 -11.865 1.00 61.34 H new ATOM 221 N LYS A 14 -3.445 9.235 -13.707 1.00 41.20 N ATOM 222 CA LYS A 14 -3.597 9.938 -14.976 1.00 32.24 C ATOM 223 C LYS A 14 -2.996 11.337 -14.898 1.00 11.52 C ATOM 224 O LYS A 14 -3.417 12.160 -14.086 1.00 10.13 O ATOM 225 CB LYS A 14 -5.076 10.027 -15.358 1.00 72.14 C ATOM 226 CG LYS A 14 -5.442 9.188 -16.571 1.00 13.24 C ATOM 227 CD LYS A 14 -5.446 7.705 -16.242 1.00 22.31 C ATOM 228 CE LYS A 14 -6.550 6.971 -16.987 1.00 54.21 C ATOM 229 NZ LYS A 14 -6.388 5.493 -16.905 1.00 11.20 N ATOM 0 H LYS A 14 -4.316 9.098 -13.194 1.00 41.20 H new ATOM 0 HA LYS A 14 -3.063 9.375 -15.742 1.00 32.24 H new ATOM 0 HB2 LYS A 14 -5.682 9.708 -14.510 1.00 72.14 H new ATOM 0 HB3 LYS A 14 -5.329 11.068 -15.557 1.00 72.14 H new ATOM 0 HG2 LYS A 14 -6.426 9.483 -16.936 1.00 13.24 H new ATOM 0 HG3 LYS A 14 -4.733 9.381 -17.376 1.00 13.24 H new ATOM 0 HD2 LYS A 14 -4.480 7.271 -16.501 1.00 22.31 H new ATOM 0 HD3 LYS A 14 -5.578 7.570 -15.169 1.00 22.31 H new ATOM 0 HE2 LYS A 14 -7.518 7.254 -16.572 1.00 54.21 H new ATOM 0 HE3 LYS A 14 -6.549 7.279 -18.033 1.00 54.21 H new ATOM 0 HZ1 LYS A 14 -7.160 5.030 -17.425 1.00 11.20 H new ATOM 0 HZ2 LYS A 14 -5.476 5.220 -17.324 1.00 11.20 H new ATOM 0 HZ3 LYS A 14 -6.415 5.196 -15.909 1.00 11.20 H new ATOM 243 N GLY A 15 -2.010 11.601 -15.750 1.00 4.44 N ATOM 244 CA GLY A 15 -1.368 12.903 -15.761 1.00 51.03 C ATOM 245 C GLY A 15 -2.311 14.010 -16.188 1.00 51.40 C ATOM 246 O GLY A 15 -3.054 14.552 -15.371 1.00 35.42 O ATOM 0 H GLY A 15 -1.644 10.937 -16.433 1.00 4.44 H new ATOM 0 HA2 GLY A 15 -0.982 13.123 -14.766 1.00 51.03 H new ATOM 0 HA3 GLY A 15 -0.513 12.877 -16.436 1.00 51.03 H new ATOM 250 N GLY A 16 -2.280 14.350 -17.473 1.00 60.13 N ATOM 251 CA GLY A 16 -3.142 15.400 -17.984 1.00 62.33 C ATOM 252 C GLY A 16 -2.600 16.029 -19.253 1.00 21.44 C ATOM 253 O GLY A 16 -2.141 17.171 -19.240 1.00 20.21 O ATOM 0 H GLY A 16 -1.673 13.917 -18.169 1.00 60.13 H new ATOM 0 HA2 GLY A 16 -4.133 14.989 -18.180 1.00 62.33 H new ATOM 0 HA3 GLY A 16 -3.261 16.171 -17.222 1.00 62.33 H new TER 257 GLY A 16