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+ 167:sc= -0.25 (180deg=-0.587) 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 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.329 0.000 0.000 1.00 3.00 N ATOM 2 CA VAL A 1 2.094 -0.002 -1.242 1.00 12.15 C ATOM 3 C VAL A 1 3.353 -0.851 -1.110 1.00 61.11 C ATOM 4 O VAL A 1 4.437 -0.441 -1.524 1.00 52.51 O ATOM 5 CB VAL A 1 2.492 1.427 -1.657 1.00 62.45 C ATOM 6 CG1 VAL A 1 1.287 2.181 -2.198 1.00 42.12 C ATOM 7 CG2 VAL A 1 3.114 2.169 -0.484 1.00 71.12 C ATOM 0 H1 VAL A 1 0.607 0.747 -0.038 1.00 3.00 H new ATOM 0 H2 VAL A 1 0.866 -0.923 0.124 1.00 3.00 H new ATOM 0 H3 VAL A 1 1.968 0.177 0.801 1.00 3.00 H new ATOM 0 HA VAL A 1 1.450 -0.430 -2.011 1.00 12.15 H new ATOM 0 HB VAL A 1 3.236 1.362 -2.451 1.00 62.45 H new ATOM 0 HG11 VAL A 1 1.587 3.188 -2.486 1.00 42.12 H new ATOM 0 HG12 VAL A 1 0.891 1.658 -3.068 1.00 42.12 H new ATOM 0 HG13 VAL A 1 0.518 2.238 -1.428 1.00 42.12 H new ATOM 0 HG21 VAL A 1 3.389 3.177 -0.795 1.00 71.12 H new ATOM 0 HG22 VAL A 1 2.395 2.225 0.333 1.00 71.12 H new ATOM 0 HG23 VAL A 1 4.004 1.637 -0.148 1.00 71.12 H new ATOM 17 N ALA A 2 3.202 -2.038 -0.531 1.00 41.14 N ATOM 18 CA ALA A 2 4.327 -2.947 -0.348 1.00 13.24 C ATOM 19 C ALA A 2 4.083 -4.273 -1.060 1.00 40.21 C ATOM 20 O ALA A 2 3.805 -5.289 -0.423 1.00 14.33 O ATOM 21 CB ALA A 2 4.580 -3.180 1.134 1.00 32.44 C ATOM 0 H ALA A 2 2.312 -2.392 -0.181 1.00 41.14 H new ATOM 0 HA ALA A 2 5.211 -2.486 -0.789 1.00 13.24 H new ATOM 0 HB1 ALA A 2 5.423 -3.861 1.257 1.00 32.44 H new ATOM 0 HB2 ALA A 2 4.807 -2.230 1.618 1.00 32.44 H new ATOM 0 HB3 ALA A 2 3.692 -3.616 1.591 1.00 32.44 H new ATOM 27 N ARG A 3 4.189 -4.256 -2.385 1.00 12.33 N ATOM 28 CA ARG A 3 3.978 -5.457 -3.184 1.00 11.14 C ATOM 29 C ARG A 3 5.290 -6.207 -3.394 1.00 33.43 C ATOM 30 O ARG A 3 5.297 -7.348 -3.855 1.00 42.35 O ATOM 31 CB ARG A 3 3.363 -5.094 -4.537 1.00 3.24 C ATOM 32 CG ARG A 3 3.149 -6.290 -5.449 1.00 61.40 C ATOM 33 CD ARG A 3 2.405 -7.409 -4.736 1.00 5.23 C ATOM 34 NE ARG A 3 1.677 -8.264 -5.669 1.00 0.10 N ATOM 35 CZ ARG A 3 0.581 -7.881 -6.314 1.00 72.11 C ATOM 36 NH1 ARG A 3 0.089 -6.664 -6.128 1.00 43.24 N ATOM 37 NH2 ARG A 3 -0.026 -8.717 -7.148 1.00 1.45 N ATOM 0 H ARG A 3 4.420 -3.424 -2.928 1.00 12.33 H new ATOM 0 HA ARG A 3 3.290 -6.107 -2.643 1.00 11.14 H new ATOM 0 HB2 ARG A 3 2.406 -4.599 -4.371 1.00 3.24 H new ATOM 0 HB3 ARG A 3 4.010 -4.376 -5.040 1.00 3.24 H new ATOM 0 HG2 ARG A 3 2.586 -5.981 -6.330 1.00 61.40 H new ATOM 0 HG3 ARG A 3 4.113 -6.658 -5.800 1.00 61.40 H new ATOM 0 HD2 ARG A 3 3.114 -8.012 -4.170 1.00 5.23 H new ATOM 0 HD3 ARG A 3 1.707 -6.980 -4.018 1.00 5.23 H new ATOM 0 HE ARG A 3 2.029 -9.207 -5.834 1.00 0.10 H new ATOM 0 HH11 ARG A 3 0.552 -6.019 -5.488 1.00 43.24 H new ATOM 0 HH12 ARG A 3 -0.753 -6.373 -6.625 1.00 43.24 H new ATOM 0 HH21 ARG A 3 0.349 -9.654 -7.294 1.00 1.45 H new ATOM 0 HH22 ARG A 3 -0.868 -8.422 -7.643 1.00 1.45 H new ATOM 51 N GLY A 4 6.399 -5.558 -3.051 1.00 75.34 N ATOM 52 CA GLY A 4 7.701 -6.179 -3.210 1.00 74.15 C ATOM 53 C GLY A 4 7.833 -7.461 -2.412 1.00 41.13 C ATOM 54 O GLY A 4 8.771 -8.232 -2.615 1.00 5.43 O ATOM 0 H GLY A 4 6.419 -4.614 -2.666 1.00 75.34 H new ATOM 0 HA2 GLY A 4 7.872 -6.392 -4.265 1.00 74.15 H new ATOM 0 HA3 GLY A 4 8.475 -5.478 -2.897 1.00 74.15 H new ATOM 58 N TRP A 5 6.893 -7.689 -1.502 1.00 41.14 N ATOM 59 CA TRP A 5 6.910 -8.886 -0.669 1.00 63.13 C ATOM 60 C TRP A 5 6.594 -10.128 -1.495 1.00 31.21 C ATOM 61 O TRP A 5 7.163 -11.197 -1.270 1.00 52.25 O ATOM 62 CB TRP A 5 5.905 -8.750 0.476 1.00 64.03 C ATOM 63 CG TRP A 5 4.480 -8.894 0.035 1.00 10.43 C ATOM 64 CD1 TRP A 5 3.815 -8.104 -0.859 1.00 31.12 C ATOM 65 CD2 TRP A 5 3.544 -9.886 0.471 1.00 43.02 C ATOM 66 NE1 TRP A 5 2.522 -8.546 -1.005 1.00 41.13 N ATOM 67 CE2 TRP A 5 2.331 -9.638 -0.201 1.00 63.21 C ATOM 68 CE3 TRP A 5 3.614 -10.961 1.361 1.00 14.22 C ATOM 69 CZ2 TRP A 5 1.199 -10.426 -0.008 1.00 4.30 C ATOM 70 CZ3 TRP A 5 2.489 -11.741 1.552 1.00 62.20 C ATOM 71 CH2 TRP A 5 1.296 -11.471 0.870 1.00 74.24 C ATOM 0 H TRP A 5 6.110 -7.061 -1.322 1.00 41.14 H new ATOM 0 HA TRP A 5 7.911 -8.995 -0.252 1.00 63.13 H new ATOM 0 HB2 TRP A 5 6.122 -9.505 1.232 1.00 64.03 H new ATOM 0 HB3 TRP A 5 6.035 -7.777 0.950 1.00 64.03 H new ATOM 0 HD1 TRP A 5 4.242 -7.257 -1.375 1.00 31.12 H new ATOM 0 HE1 TRP A 5 1.818 -8.128 -1.614 1.00 41.13 H new ATOM 0 HE3 TRP A 5 4.530 -11.178 1.890 1.00 14.22 H new ATOM 0 HZ2 TRP A 5 0.278 -10.220 -0.532 1.00 4.30 H new ATOM 0 HZ3 TRP A 5 2.531 -12.573 2.239 1.00 62.20 H new ATOM 0 HH2 TRP A 5 0.435 -12.100 1.041 1.00 74.24 H new ATOM 82 N LYS A 6 5.683 -9.982 -2.451 1.00 43.33 N ATOM 83 CA LYS A 6 5.292 -11.091 -3.312 1.00 72.43 C ATOM 84 C LYS A 6 6.392 -11.414 -4.318 1.00 50.35 C ATOM 85 O LYS A 6 6.420 -12.501 -4.895 1.00 34.10 O ATOM 86 CB LYS A 6 3.993 -10.758 -4.050 1.00 1.11 C ATOM 87 CG LYS A 6 3.690 -11.699 -5.203 1.00 13.01 C ATOM 88 CD LYS A 6 4.233 -11.164 -6.517 1.00 55.33 C ATOM 89 CE LYS A 6 3.136 -11.040 -7.564 1.00 40.30 C ATOM 90 NZ LYS A 6 2.815 -12.352 -8.190 1.00 24.54 N ATOM 0 H LYS A 6 5.201 -9.105 -2.649 1.00 43.33 H new ATOM 0 HA LYS A 6 5.131 -11.966 -2.683 1.00 72.43 H new ATOM 0 HB2 LYS A 6 3.165 -10.786 -3.342 1.00 1.11 H new ATOM 0 HB3 LYS A 6 4.052 -9.738 -4.430 1.00 1.11 H new ATOM 0 HG2 LYS A 6 4.126 -12.677 -5.000 1.00 13.01 H new ATOM 0 HG3 LYS A 6 2.612 -11.841 -5.284 1.00 13.01 H new ATOM 0 HD2 LYS A 6 4.692 -10.189 -6.352 1.00 55.33 H new ATOM 0 HD3 LYS A 6 5.016 -11.827 -6.885 1.00 55.33 H new ATOM 0 HE2 LYS A 6 2.238 -10.629 -7.102 1.00 40.30 H new ATOM 0 HE3 LYS A 6 3.448 -10.336 -8.336 1.00 40.30 H new ATOM 0 HZ1 LYS A 6 2.063 -12.225 -8.897 1.00 24.54 H new ATOM 0 HZ2 LYS A 6 3.665 -12.733 -8.653 1.00 24.54 H new ATOM 0 HZ3 LYS A 6 2.492 -13.016 -7.458 1.00 24.54 H new ATOM 104 N ARG A 7 7.297 -10.463 -4.523 1.00 44.33 N ATOM 105 CA ARG A 7 8.400 -10.646 -5.460 1.00 33.23 C ATOM 106 C ARG A 7 9.332 -11.760 -4.991 1.00 11.54 C ATOM 107 O ARG A 7 9.217 -12.905 -5.426 1.00 60.32 O ATOM 108 CB ARG A 7 9.184 -9.343 -5.619 1.00 4.44 C ATOM 109 CG ARG A 7 8.677 -8.460 -6.747 1.00 71.01 C ATOM 110 CD ARG A 7 8.688 -9.196 -8.078 1.00 13.12 C ATOM 111 NE ARG A 7 9.085 -8.326 -9.181 1.00 44.23 N ATOM 112 CZ ARG A 7 10.322 -7.869 -9.348 1.00 75.12 C ATOM 113 NH1 ARG A 7 11.275 -8.198 -8.488 1.00 63.41 N ATOM 114 NH2 ARG A 7 10.606 -7.081 -10.378 1.00 32.54 N ATOM 0 H ARG A 7 7.289 -9.558 -4.053 1.00 44.33 H new ATOM 0 HA ARG A 7 7.981 -10.929 -6.426 1.00 33.23 H new ATOM 0 HB2 ARG A 7 9.138 -8.785 -4.684 1.00 4.44 H new ATOM 0 HB3 ARG A 7 10.233 -9.580 -5.798 1.00 4.44 H new ATOM 0 HG2 ARG A 7 7.664 -8.127 -6.522 1.00 71.01 H new ATOM 0 HG3 ARG A 7 9.298 -7.567 -6.819 1.00 71.01 H new ATOM 0 HD2 ARG A 7 9.373 -10.042 -8.019 1.00 13.12 H new ATOM 0 HD3 ARG A 7 7.696 -9.602 -8.276 1.00 13.12 H new ATOM 0 HE ARG A 7 8.375 -8.054 -9.860 1.00 44.23 H new ATOM 0 HH11 ARG A 7 11.060 -8.803 -7.696 1.00 63.41 H new ATOM 0 HH12 ARG A 7 12.223 -7.846 -8.618 1.00 63.41 H new ATOM 0 HH21 ARG A 7 9.875 -6.826 -11.042 1.00 32.54 H new ATOM 0 HH22 ARG A 7 11.555 -6.731 -10.506 1.00 32.54 H new ATOM 128 N LYS A 8 10.256 -11.415 -4.100 1.00 14.40 N ATOM 129 CA LYS A 8 11.208 -12.383 -3.570 1.00 72.42 C ATOM 130 C LYS A 8 10.731 -12.939 -2.232 1.00 70.32 C ATOM 131 O LYS A 8 10.228 -14.061 -2.159 1.00 61.23 O ATOM 132 CB LYS A 8 12.585 -11.737 -3.404 1.00 62.43 C ATOM 133 CG LYS A 8 13.171 -11.213 -4.704 1.00 3.44 C ATOM 134 CD LYS A 8 14.429 -10.396 -4.458 1.00 53.43 C ATOM 135 CE LYS A 8 15.284 -10.298 -5.712 1.00 72.44 C ATOM 136 NZ LYS A 8 14.732 -9.315 -6.685 1.00 71.22 N ATOM 0 H LYS A 8 10.365 -10.471 -3.730 1.00 14.40 H new ATOM 0 HA LYS A 8 11.283 -13.207 -4.280 1.00 72.42 H new ATOM 0 HB2 LYS A 8 12.508 -10.915 -2.692 1.00 62.43 H new ATOM 0 HB3 LYS A 8 13.271 -12.467 -2.974 1.00 62.43 H new ATOM 0 HG2 LYS A 8 13.402 -12.050 -5.363 1.00 3.44 H new ATOM 0 HG3 LYS A 8 12.431 -10.598 -5.216 1.00 3.44 H new ATOM 0 HD2 LYS A 8 14.155 -9.395 -4.124 1.00 53.43 H new ATOM 0 HD3 LYS A 8 15.009 -10.852 -3.656 1.00 53.43 H new ATOM 0 HE2 LYS A 8 16.298 -10.007 -5.438 1.00 72.44 H new ATOM 0 HE3 LYS A 8 15.350 -11.278 -6.184 1.00 72.44 H new ATOM 0 HZ1 LYS A 8 15.343 -9.278 -7.526 1.00 71.22 H new ATOM 0 HZ2 LYS A 8 13.774 -9.606 -6.966 1.00 71.22 H new ATOM 0 HZ3 LYS A 8 14.693 -8.374 -6.244 1.00 71.22 H new ATOM 150 N CYS A 9 10.891 -12.148 -1.177 1.00 53.04 N ATOM 151 CA CYS A 9 10.475 -12.561 0.158 1.00 25.34 C ATOM 152 C CYS A 9 9.211 -11.824 0.587 1.00 20.12 C ATOM 153 O CYS A 9 9.100 -10.605 0.459 1.00 4.45 O ATOM 154 CB CYS A 9 11.597 -12.304 1.166 1.00 31.10 C ATOM 155 SG CYS A 9 12.820 -13.632 1.264 1.00 43.11 S ATOM 0 H CYS A 9 11.306 -11.217 -1.220 1.00 53.04 H new ATOM 0 HA CYS A 9 10.258 -13.629 0.130 1.00 25.34 H new ATOM 0 HB2 CYS A 9 12.104 -11.377 0.900 1.00 31.10 H new ATOM 0 HB3 CYS A 9 11.158 -12.156 2.152 1.00 31.10 H new ATOM 0 HG CYS A 9 13.728 -13.322 2.141 1.00 43.11 H new ATOM 161 N PRO A 10 8.233 -12.580 1.107 1.00 75.10 N ATOM 162 CA PRO A 10 6.957 -12.020 1.564 1.00 3.20 C ATOM 163 C PRO A 10 7.113 -11.180 2.827 1.00 52.40 C ATOM 164 O PRO A 10 6.171 -10.517 3.264 1.00 40.31 O ATOM 165 CB PRO A 10 6.107 -13.260 1.848 1.00 35.13 C ATOM 166 CG PRO A 10 7.093 -14.337 2.141 1.00 21.30 C ATOM 167 CD PRO A 10 8.296 -14.040 1.289 1.00 51.01 C ATOM 0 HA PRO A 10 6.519 -11.347 0.827 1.00 3.20 H new ATOM 0 HB2 PRO A 10 5.438 -13.096 2.692 1.00 35.13 H new ATOM 0 HB3 PRO A 10 5.483 -13.517 0.992 1.00 35.13 H new ATOM 0 HG2 PRO A 10 7.357 -14.347 3.199 1.00 21.30 H new ATOM 0 HG3 PRO A 10 6.681 -15.318 1.906 1.00 21.30 H new ATOM 0 HD2 PRO A 10 9.221 -14.344 1.779 1.00 51.01 H new ATOM 0 HD3 PRO A 10 8.253 -14.566 0.335 1.00 51.01 H new ATOM 175 N LEU A 11 8.306 -11.211 3.410 1.00 43.05 N ATOM 176 CA LEU A 11 8.585 -10.451 4.623 1.00 24.22 C ATOM 177 C LEU A 11 8.745 -8.967 4.312 1.00 43.44 C ATOM 178 O LEU A 11 8.944 -8.151 5.212 1.00 44.53 O ATOM 179 CB LEU A 11 9.851 -10.981 5.300 1.00 14.04 C ATOM 180 CG LEU A 11 11.178 -10.477 4.732 1.00 15.51 C ATOM 181 CD1 LEU A 11 11.631 -9.225 5.467 1.00 43.44 C ATOM 182 CD2 LEU A 11 12.241 -11.562 4.817 1.00 50.30 C ATOM 0 H LEU A 11 9.096 -11.755 3.062 1.00 43.05 H new ATOM 0 HA LEU A 11 7.739 -10.572 5.300 1.00 24.22 H new ATOM 0 HB2 LEU A 11 9.809 -10.721 6.358 1.00 14.04 H new ATOM 0 HB3 LEU A 11 9.843 -12.069 5.239 1.00 14.04 H new ATOM 0 HG LEU A 11 11.030 -10.224 3.682 1.00 15.51 H new ATOM 0 HD11 LEU A 11 12.577 -8.880 5.050 1.00 43.44 H new ATOM 0 HD12 LEU A 11 10.879 -8.444 5.354 1.00 43.44 H new ATOM 0 HD13 LEU A 11 11.762 -9.452 6.525 1.00 43.44 H new ATOM 0 HD21 LEU A 11 13.179 -11.186 4.408 1.00 50.30 H new ATOM 0 HD22 LEU A 11 12.388 -11.847 5.859 1.00 50.30 H new ATOM 0 HD23 LEU A 11 11.919 -12.432 4.245 1.00 50.30 H new ATOM 194 N PHE A 12 8.655 -8.623 3.031 1.00 32.01 N ATOM 195 CA PHE A 12 8.788 -7.236 2.600 1.00 21.24 C ATOM 196 C PHE A 12 7.445 -6.514 2.667 1.00 24.43 C ATOM 197 O PHE A 12 7.284 -5.428 2.112 1.00 34.44 O ATOM 198 CB PHE A 12 9.343 -7.173 1.176 1.00 62.41 C ATOM 199 CG PHE A 12 10.615 -6.382 1.062 1.00 15.33 C ATOM 200 CD1 PHE A 12 11.680 -6.632 1.912 1.00 64.14 C ATOM 201 CD2 PHE A 12 10.744 -5.387 0.106 1.00 30.41 C ATOM 202 CE1 PHE A 12 12.851 -5.904 1.810 1.00 71.44 C ATOM 203 CE2 PHE A 12 11.912 -4.657 -0.001 1.00 4.31 C ATOM 204 CZ PHE A 12 12.968 -4.916 0.851 1.00 35.44 C ATOM 0 H PHE A 12 8.491 -9.286 2.273 1.00 32.01 H new ATOM 0 HA PHE A 12 9.483 -6.737 3.276 1.00 21.24 H new ATOM 0 HB2 PHE A 12 9.522 -8.187 0.819 1.00 62.41 H new ATOM 0 HB3 PHE A 12 8.591 -6.733 0.521 1.00 62.41 H new ATOM 0 HD1 PHE A 12 11.595 -7.404 2.662 1.00 64.14 H new ATOM 0 HD2 PHE A 12 9.922 -5.180 -0.563 1.00 30.41 H new ATOM 0 HE1 PHE A 12 13.674 -6.107 2.479 1.00 71.44 H new ATOM 0 HE2 PHE A 12 11.999 -3.884 -0.750 1.00 4.31 H new ATOM 0 HZ PHE A 12 13.883 -4.348 0.768 1.00 35.44 H new ATOM 214 N GLY A 13 6.484 -7.128 3.351 1.00 11.42 N ATOM 215 CA GLY A 13 5.167 -6.530 3.478 1.00 24.40 C ATOM 216 C GLY A 13 5.224 -5.105 3.990 1.00 3.13 C ATOM 217 O GLY A 13 4.300 -4.321 3.772 1.00 45.15 O ATOM 0 H GLY A 13 6.594 -8.028 3.819 1.00 11.42 H new ATOM 0 HA2 GLY A 13 4.670 -6.545 2.508 1.00 24.40 H new ATOM 0 HA3 GLY A 13 4.562 -7.132 4.156 1.00 24.40 H new ATOM 221 N LYS A 14 6.311 -4.767 4.676 1.00 21.30 N ATOM 222 CA LYS A 14 6.486 -3.427 5.222 1.00 0.32 C ATOM 223 C LYS A 14 7.044 -2.478 4.167 1.00 43.25 C ATOM 224 O LYS A 14 6.420 -1.473 3.829 1.00 2.31 O ATOM 225 CB LYS A 14 7.420 -3.465 6.434 1.00 62.22 C ATOM 226 CG LYS A 14 7.028 -4.503 7.471 1.00 23.12 C ATOM 227 CD LYS A 14 8.156 -4.760 8.457 1.00 51.22 C ATOM 228 CE LYS A 14 7.865 -5.967 9.335 1.00 73.11 C ATOM 229 NZ LYS A 14 8.838 -6.086 10.455 1.00 5.02 N ATOM 0 H LYS A 14 7.085 -5.404 4.867 1.00 21.30 H new ATOM 0 HA LYS A 14 5.509 -3.060 5.536 1.00 0.32 H new ATOM 0 HB2 LYS A 14 8.435 -3.669 6.094 1.00 62.22 H new ATOM 0 HB3 LYS A 14 7.433 -2.481 6.903 1.00 62.22 H new ATOM 0 HG2 LYS A 14 6.143 -4.164 8.010 1.00 23.12 H new ATOM 0 HG3 LYS A 14 6.761 -5.434 6.972 1.00 23.12 H new ATOM 0 HD2 LYS A 14 9.087 -4.921 7.913 1.00 51.22 H new ATOM 0 HD3 LYS A 14 8.301 -3.880 9.083 1.00 51.22 H new ATOM 0 HE2 LYS A 14 6.855 -5.888 9.738 1.00 73.11 H new ATOM 0 HE3 LYS A 14 7.896 -6.873 8.729 1.00 73.11 H new ATOM 0 HZ1 LYS A 14 8.605 -6.921 11.030 1.00 5.02 H new ATOM 0 HZ2 LYS A 14 9.799 -6.187 10.071 1.00 5.02 H new ATOM 0 HZ3 LYS A 14 8.791 -5.233 11.048 1.00 5.02 H new ATOM 243 N GLY A 15 8.224 -2.805 3.647 1.00 11.02 N ATOM 244 CA GLY A 15 8.845 -1.972 2.634 1.00 22.02 C ATOM 245 C GLY A 15 8.064 -1.959 1.335 1.00 22.41 C ATOM 246 O GLY A 15 7.138 -1.167 1.167 1.00 44.11 O ATOM 0 H GLY A 15 8.760 -3.632 3.910 1.00 11.02 H new ATOM 0 HA2 GLY A 15 8.934 -0.953 3.011 1.00 22.02 H new ATOM 0 HA3 GLY A 15 9.856 -2.331 2.443 1.00 22.02 H new ATOM 250 N GLY A 16 8.439 -2.840 0.412 1.00 45.20 N ATOM 251 CA GLY A 16 7.758 -2.909 -0.868 1.00 4.34 C ATOM 252 C GLY A 16 8.721 -3.059 -2.029 1.00 75.42 C ATOM 253 O GLY A 16 9.387 -2.101 -2.420 1.00 24.33 O ATOM 0 H GLY A 16 9.202 -3.507 0.528 1.00 45.20 H new ATOM 0 HA2 GLY A 16 7.066 -3.751 -0.863 1.00 4.34 H new ATOM 0 HA3 GLY A 16 7.162 -2.007 -1.008 1.00 4.34 H new TER 257 GLY A 16