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+ 172:sc= -0.786 (180deg=-0.867) 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= -0.211 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.827 -1.041 0.663 1.00 34.04 N ATOM 2 CA VAL A 1 2.288 -0.769 -0.693 1.00 34.51 C ATOM 3 C VAL A 1 3.614 -1.467 -0.972 1.00 42.13 C ATOM 4 O VAL A 1 4.413 -1.001 -1.784 1.00 3.22 O ATOM 5 CB VAL A 1 2.453 0.742 -0.937 1.00 45.22 C ATOM 6 CG1 VAL A 1 1.122 1.459 -0.773 1.00 1.13 C ATOM 7 CG2 VAL A 1 3.500 1.322 0.002 1.00 21.44 C ATOM 0 H1 VAL A 1 0.998 -0.450 0.873 1.00 34.04 H new ATOM 0 H2 VAL A 1 1.567 -2.044 0.746 1.00 34.04 H new ATOM 0 H3 VAL A 1 2.587 -0.823 1.338 1.00 34.04 H new ATOM 0 HA VAL A 1 1.527 -1.157 -1.370 1.00 34.51 H new ATOM 0 HB VAL A 1 2.794 0.891 -1.961 1.00 45.22 H new ATOM 0 HG11 VAL A 1 1.259 2.526 -0.949 1.00 1.13 H new ATOM 0 HG12 VAL A 1 0.404 1.062 -1.491 1.00 1.13 H new ATOM 0 HG13 VAL A 1 0.747 1.304 0.239 1.00 1.13 H new ATOM 0 HG21 VAL A 1 3.604 2.391 -0.184 1.00 21.44 H new ATOM 0 HG22 VAL A 1 3.191 1.162 1.035 1.00 21.44 H new ATOM 0 HG23 VAL A 1 4.457 0.829 -0.171 1.00 21.44 H new ATOM 17 N ALA A 2 3.842 -2.587 -0.295 1.00 34.33 N ATOM 18 CA ALA A 2 5.070 -3.351 -0.472 1.00 24.13 C ATOM 19 C ALA A 2 4.810 -4.638 -1.247 1.00 32.33 C ATOM 20 O ALA A 2 5.018 -5.737 -0.732 1.00 4.02 O ATOM 21 CB ALA A 2 5.697 -3.664 0.879 1.00 12.42 C ATOM 0 H ALA A 2 3.191 -2.986 0.382 1.00 34.33 H new ATOM 0 HA ALA A 2 5.765 -2.743 -1.051 1.00 24.13 H new ATOM 0 HB1 ALA A 2 6.614 -4.235 0.731 1.00 12.42 H new ATOM 0 HB2 ALA A 2 5.929 -2.733 1.397 1.00 12.42 H new ATOM 0 HB3 ALA A 2 4.998 -4.248 1.478 1.00 12.42 H new ATOM 27 N ARG A 3 4.352 -4.495 -2.486 1.00 62.02 N ATOM 28 CA ARG A 3 4.061 -5.647 -3.331 1.00 43.11 C ATOM 29 C ARG A 3 5.329 -6.446 -3.616 1.00 65.21 C ATOM 30 O ARG A 3 5.267 -7.590 -4.065 1.00 31.14 O ATOM 31 CB ARG A 3 3.425 -5.194 -4.646 1.00 51.24 C ATOM 32 CG ARG A 3 4.308 -5.425 -5.862 1.00 31.13 C ATOM 33 CD ARG A 3 3.763 -4.713 -7.090 1.00 11.01 C ATOM 34 NE ARG A 3 2.584 -5.382 -7.632 1.00 74.23 N ATOM 35 CZ ARG A 3 1.818 -4.864 -8.587 1.00 24.15 C ATOM 36 NH1 ARG A 3 2.108 -3.677 -9.101 1.00 54.13 N ATOM 37 NH2 ARG A 3 0.762 -5.534 -9.028 1.00 73.12 N ATOM 0 H ARG A 3 4.174 -3.593 -2.927 1.00 62.02 H new ATOM 0 HA ARG A 3 3.359 -6.289 -2.798 1.00 43.11 H new ATOM 0 HB2 ARG A 3 2.483 -5.724 -4.786 1.00 51.24 H new ATOM 0 HB3 ARG A 3 3.186 -4.133 -4.577 1.00 51.24 H new ATOM 0 HG2 ARG A 3 5.317 -5.071 -5.653 1.00 31.13 H new ATOM 0 HG3 ARG A 3 4.381 -6.494 -6.062 1.00 31.13 H new ATOM 0 HD2 ARG A 3 3.509 -3.685 -6.830 1.00 11.01 H new ATOM 0 HD3 ARG A 3 4.537 -4.666 -7.856 1.00 11.01 H new ATOM 0 HE ARG A 3 2.334 -6.297 -7.257 1.00 74.23 H new ATOM 0 HH11 ARG A 3 2.920 -3.160 -8.764 1.00 54.13 H new ATOM 0 HH12 ARG A 3 1.519 -3.281 -9.834 1.00 54.13 H new ATOM 0 HH21 ARG A 3 0.537 -6.448 -8.634 1.00 73.12 H new ATOM 0 HH22 ARG A 3 0.175 -5.136 -9.761 1.00 73.12 H new ATOM 51 N GLY A 4 6.480 -5.835 -3.353 1.00 4.52 N ATOM 52 CA GLY A 4 7.747 -6.503 -3.588 1.00 33.33 C ATOM 53 C GLY A 4 7.884 -7.783 -2.786 1.00 40.34 C ATOM 54 O GLY A 4 8.769 -8.596 -3.051 1.00 70.50 O ATOM 0 H GLY A 4 6.558 -4.888 -2.981 1.00 4.52 H new ATOM 0 HA2 GLY A 4 7.843 -6.731 -4.650 1.00 33.33 H new ATOM 0 HA3 GLY A 4 8.563 -5.828 -3.332 1.00 33.33 H new ATOM 58 N TRP A 5 7.008 -7.960 -1.804 1.00 62.21 N ATOM 59 CA TRP A 5 7.037 -9.150 -0.960 1.00 41.43 C ATOM 60 C TRP A 5 6.757 -10.405 -1.779 1.00 52.11 C ATOM 61 O TRP A 5 7.353 -11.457 -1.546 1.00 12.43 O ATOM 62 CB TRP A 5 6.014 -9.024 0.169 1.00 14.54 C ATOM 63 CG TRP A 5 4.599 -9.222 -0.285 1.00 64.24 C ATOM 64 CD1 TRP A 5 3.912 -8.457 -1.184 1.00 1.44 C ATOM 65 CD2 TRP A 5 3.700 -10.252 0.138 1.00 72.41 C ATOM 66 NE1 TRP A 5 2.639 -8.949 -1.344 1.00 44.11 N ATOM 67 CE2 TRP A 5 2.484 -10.051 -0.545 1.00 44.31 C ATOM 68 CE3 TRP A 5 3.803 -11.327 1.026 1.00 41.44 C ATOM 69 CZ2 TRP A 5 1.383 -10.883 -0.366 1.00 30.25 C ATOM 70 CZ3 TRP A 5 2.709 -12.152 1.203 1.00 51.20 C ATOM 71 CH2 TRP A 5 1.512 -11.927 0.510 1.00 61.23 C ATOM 0 H TRP A 5 6.269 -7.296 -1.572 1.00 62.21 H new ATOM 0 HA TRP A 5 8.035 -9.235 -0.529 1.00 41.43 H new ATOM 0 HB2 TRP A 5 6.245 -9.756 0.942 1.00 14.54 H new ATOM 0 HB3 TRP A 5 6.107 -8.038 0.625 1.00 14.54 H new ATOM 0 HD1 TRP A 5 4.311 -7.593 -1.694 1.00 1.44 H new ATOM 0 HE1 TRP A 5 1.925 -8.557 -1.958 1.00 44.11 H new ATOM 0 HE3 TRP A 5 4.722 -11.509 1.564 1.00 41.44 H new ATOM 0 HZ2 TRP A 5 0.460 -10.711 -0.899 1.00 30.25 H new ATOM 0 HZ3 TRP A 5 2.778 -12.985 1.887 1.00 51.20 H new ATOM 0 HH2 TRP A 5 0.675 -12.590 0.670 1.00 61.23 H new ATOM 82 N LYS A 6 5.846 -10.288 -2.740 1.00 23.43 N ATOM 83 CA LYS A 6 5.488 -11.413 -3.595 1.00 74.50 C ATOM 84 C LYS A 6 6.573 -11.675 -4.634 1.00 25.12 C ATOM 85 O LYS A 6 6.593 -12.727 -5.273 1.00 64.01 O ATOM 86 CB LYS A 6 4.153 -11.144 -4.294 1.00 31.34 C ATOM 87 CG LYS A 6 3.598 -12.351 -5.030 1.00 52.05 C ATOM 88 CD LYS A 6 3.597 -13.590 -4.150 1.00 52.25 C ATOM 89 CE LYS A 6 2.307 -14.381 -4.304 1.00 21.32 C ATOM 90 NZ LYS A 6 2.425 -15.438 -5.347 1.00 2.51 N ATOM 0 H LYS A 6 5.343 -9.425 -2.946 1.00 23.43 H new ATOM 0 HA LYS A 6 5.391 -12.298 -2.966 1.00 74.50 H new ATOM 0 HB2 LYS A 6 3.425 -10.814 -3.553 1.00 31.34 H new ATOM 0 HB3 LYS A 6 4.281 -10.325 -5.002 1.00 31.34 H new ATOM 0 HG2 LYS A 6 2.582 -12.139 -5.363 1.00 52.05 H new ATOM 0 HG3 LYS A 6 4.194 -12.539 -5.923 1.00 52.05 H new ATOM 0 HD2 LYS A 6 4.446 -14.222 -4.409 1.00 52.25 H new ATOM 0 HD3 LYS A 6 3.724 -13.298 -3.108 1.00 52.25 H new ATOM 0 HE2 LYS A 6 2.046 -14.840 -3.350 1.00 21.32 H new ATOM 0 HE3 LYS A 6 1.494 -13.703 -4.564 1.00 21.32 H new ATOM 0 HZ1 LYS A 6 1.525 -15.954 -5.421 1.00 2.51 H new ATOM 0 HZ2 LYS A 6 2.649 -14.999 -6.263 1.00 2.51 H new ATOM 0 HZ3 LYS A 6 3.183 -16.100 -5.086 1.00 2.51 H new ATOM 104 N ARG A 7 7.475 -10.712 -4.796 1.00 24.52 N ATOM 105 CA ARG A 7 8.564 -10.840 -5.757 1.00 3.42 C ATOM 106 C ARG A 7 9.612 -11.833 -5.263 1.00 4.54 C ATOM 107 O ARG A 7 9.660 -12.978 -5.713 1.00 13.44 O ATOM 108 CB ARG A 7 9.214 -9.477 -6.006 1.00 64.52 C ATOM 109 CG ARG A 7 8.259 -8.442 -6.576 1.00 11.21 C ATOM 110 CD ARG A 7 8.974 -7.137 -6.890 1.00 62.10 C ATOM 111 NE ARG A 7 9.537 -7.132 -8.238 1.00 22.24 N ATOM 112 CZ ARG A 7 8.804 -7.022 -9.340 1.00 21.11 C ATOM 113 NH1 ARG A 7 7.486 -6.908 -9.255 1.00 10.12 N ATOM 114 NH2 ARG A 7 9.390 -7.026 -10.531 1.00 13.44 N ATOM 0 H ARG A 7 7.473 -9.835 -4.275 1.00 24.52 H new ATOM 0 HA ARG A 7 8.148 -11.214 -6.693 1.00 3.42 H new ATOM 0 HB2 ARG A 7 9.624 -9.103 -5.068 1.00 64.52 H new ATOM 0 HB3 ARG A 7 10.051 -9.603 -6.692 1.00 64.52 H new ATOM 0 HG2 ARG A 7 7.797 -8.832 -7.483 1.00 11.21 H new ATOM 0 HG3 ARG A 7 7.455 -8.256 -5.864 1.00 11.21 H new ATOM 0 HD2 ARG A 7 8.275 -6.307 -6.786 1.00 62.10 H new ATOM 0 HD3 ARG A 7 9.771 -6.976 -6.164 1.00 62.10 H new ATOM 0 HE ARG A 7 10.548 -7.218 -8.338 1.00 22.24 H new ATOM 0 HH11 ARG A 7 7.032 -6.905 -8.341 1.00 10.12 H new ATOM 0 HH12 ARG A 7 6.926 -6.824 -10.103 1.00 10.12 H new ATOM 0 HH21 ARG A 7 10.404 -7.114 -10.600 1.00 13.44 H new ATOM 0 HH22 ARG A 7 8.826 -6.942 -11.377 1.00 13.44 H new ATOM 128 N LYS A 8 10.452 -11.386 -4.335 1.00 13.15 N ATOM 129 CA LYS A 8 11.499 -12.234 -3.778 1.00 1.23 C ATOM 130 C LYS A 8 11.056 -12.848 -2.454 1.00 14.23 C ATOM 131 O LYS A 8 10.638 -14.006 -2.405 1.00 3.54 O ATOM 132 CB LYS A 8 12.783 -11.426 -3.573 1.00 13.02 C ATOM 133 CG LYS A 8 12.539 -9.943 -3.354 1.00 45.34 C ATOM 134 CD LYS A 8 12.465 -9.190 -4.672 1.00 53.21 C ATOM 135 CE LYS A 8 13.712 -8.352 -4.907 1.00 63.20 C ATOM 136 NZ LYS A 8 13.675 -7.075 -4.142 1.00 61.10 N ATOM 0 H LYS A 8 10.428 -10.441 -3.953 1.00 13.15 H new ATOM 0 HA LYS A 8 11.693 -13.040 -4.485 1.00 1.23 H new ATOM 0 HB2 LYS A 8 13.322 -11.828 -2.715 1.00 13.02 H new ATOM 0 HB3 LYS A 8 13.427 -11.555 -4.443 1.00 13.02 H new ATOM 0 HG2 LYS A 8 11.610 -9.804 -2.802 1.00 45.34 H new ATOM 0 HG3 LYS A 8 13.339 -9.528 -2.741 1.00 45.34 H new ATOM 0 HD2 LYS A 8 12.342 -9.899 -5.491 1.00 53.21 H new ATOM 0 HD3 LYS A 8 11.586 -8.545 -4.675 1.00 53.21 H new ATOM 0 HE2 LYS A 8 14.594 -8.924 -4.617 1.00 63.20 H new ATOM 0 HE3 LYS A 8 13.809 -8.135 -5.971 1.00 63.20 H new ATOM 0 HZ1 LYS A 8 14.543 -6.533 -4.329 1.00 61.10 H new ATOM 0 HZ2 LYS A 8 12.848 -6.518 -4.437 1.00 61.10 H new ATOM 0 HZ3 LYS A 8 13.609 -7.281 -3.125 1.00 61.10 H new ATOM 150 N CYS A 9 11.147 -12.066 -1.384 1.00 43.31 N ATOM 151 CA CYS A 9 10.755 -12.533 -0.059 1.00 54.13 C ATOM 152 C CYS A 9 9.452 -11.875 0.385 1.00 5.14 C ATOM 153 O CYS A 9 9.304 -10.653 0.355 1.00 75.12 O ATOM 154 CB CYS A 9 11.860 -12.241 0.956 1.00 44.31 C ATOM 155 SG CYS A 9 12.798 -13.700 1.467 1.00 51.02 S ATOM 0 H CYS A 9 11.489 -11.105 -1.408 1.00 43.31 H new ATOM 0 HA CYS A 9 10.598 -13.610 -0.112 1.00 54.13 H new ATOM 0 HB2 CYS A 9 12.548 -11.512 0.528 1.00 44.31 H new ATOM 0 HB3 CYS A 9 11.416 -11.781 1.838 1.00 44.31 H new ATOM 0 HG CYS A 9 13.711 -13.351 2.324 1.00 51.02 H new ATOM 161 N PRO A 10 8.485 -12.703 0.807 1.00 10.44 N ATOM 162 CA PRO A 10 7.177 -12.224 1.265 1.00 4.53 C ATOM 163 C PRO A 10 7.264 -11.487 2.598 1.00 70.13 C ATOM 164 O PRO A 10 6.294 -10.872 3.043 1.00 30.21 O ATOM 165 CB PRO A 10 6.362 -13.510 1.417 1.00 13.23 C ATOM 166 CG PRO A 10 7.375 -14.576 1.654 1.00 45.52 C ATOM 167 CD PRO A 10 8.593 -14.170 0.871 1.00 43.24 C ATOM 0 HA PRO A 10 6.740 -11.506 0.571 1.00 4.53 H new ATOM 0 HB2 PRO A 10 5.661 -13.438 2.249 1.00 13.23 H new ATOM 0 HB3 PRO A 10 5.775 -13.714 0.522 1.00 13.23 H new ATOM 0 HG2 PRO A 10 7.606 -14.666 2.715 1.00 45.52 H new ATOM 0 HG3 PRO A 10 7.005 -15.547 1.324 1.00 45.52 H new ATOM 0 HD2 PRO A 10 9.512 -14.484 1.366 1.00 43.24 H new ATOM 0 HD3 PRO A 10 8.598 -14.616 -0.123 1.00 43.24 H new ATOM 175 N LEU A 11 8.430 -11.553 3.230 1.00 45.41 N ATOM 176 CA LEU A 11 8.644 -10.891 4.512 1.00 10.04 C ATOM 177 C LEU A 11 8.608 -9.374 4.355 1.00 22.23 C ATOM 178 O LEU A 11 8.572 -8.638 5.341 1.00 33.15 O ATOM 179 CB LEU A 11 9.983 -11.321 5.114 1.00 71.40 C ATOM 180 CG LEU A 11 11.223 -10.611 4.570 1.00 14.51 C ATOM 181 CD1 LEU A 11 11.537 -9.375 5.400 1.00 74.23 C ATOM 182 CD2 LEU A 11 12.414 -11.557 4.548 1.00 33.41 C ATOM 0 H LEU A 11 9.242 -12.058 2.876 1.00 45.41 H new ATOM 0 HA LEU A 11 7.839 -11.187 5.184 1.00 10.04 H new ATOM 0 HB2 LEU A 11 9.942 -11.162 6.192 1.00 71.40 H new ATOM 0 HB3 LEU A 11 10.103 -12.392 4.954 1.00 71.40 H new ATOM 0 HG LEU A 11 11.017 -10.295 3.547 1.00 14.51 H new ATOM 0 HD11 LEU A 11 12.423 -8.882 4.998 1.00 74.23 H new ATOM 0 HD12 LEU A 11 10.692 -8.688 5.364 1.00 74.23 H new ATOM 0 HD13 LEU A 11 11.722 -9.668 6.433 1.00 74.23 H new ATOM 0 HD21 LEU A 11 13.287 -11.034 4.158 1.00 33.41 H new ATOM 0 HD22 LEU A 11 12.621 -11.904 5.560 1.00 33.41 H new ATOM 0 HD23 LEU A 11 12.188 -12.412 3.910 1.00 33.41 H new ATOM 194 N PHE A 12 8.617 -8.913 3.109 1.00 72.31 N ATOM 195 CA PHE A 12 8.584 -7.484 2.822 1.00 1.12 C ATOM 196 C PHE A 12 7.170 -6.931 2.974 1.00 1.10 C ATOM 197 O PHE A 12 6.616 -6.348 2.043 1.00 61.53 O ATOM 198 CB PHE A 12 9.100 -7.214 1.407 1.00 21.02 C ATOM 199 CG PHE A 12 10.589 -7.360 1.274 1.00 21.21 C ATOM 200 CD1 PHE A 12 11.203 -8.580 1.511 1.00 12.51 C ATOM 201 CD2 PHE A 12 11.375 -6.278 0.913 1.00 40.15 C ATOM 202 CE1 PHE A 12 12.573 -8.718 1.389 1.00 13.42 C ATOM 203 CE2 PHE A 12 12.745 -6.410 0.789 1.00 42.04 C ATOM 204 CZ PHE A 12 13.345 -7.631 1.028 1.00 11.14 C ATOM 0 H PHE A 12 8.647 -9.509 2.281 1.00 72.31 H new ATOM 0 HA PHE A 12 9.231 -6.980 3.540 1.00 1.12 H new ATOM 0 HB2 PHE A 12 8.612 -7.900 0.714 1.00 21.02 H new ATOM 0 HB3 PHE A 12 8.814 -6.205 1.111 1.00 21.02 H new ATOM 0 HD1 PHE A 12 10.604 -9.433 1.794 1.00 12.51 H new ATOM 0 HD2 PHE A 12 10.912 -5.320 0.726 1.00 40.15 H new ATOM 0 HE1 PHE A 12 13.039 -9.674 1.576 1.00 13.42 H new ATOM 0 HE2 PHE A 12 13.346 -5.559 0.505 1.00 42.04 H new ATOM 0 HZ PHE A 12 14.416 -7.736 0.933 1.00 11.14 H new ATOM 214 N GLY A 13 6.591 -7.119 4.156 1.00 2.23 N ATOM 215 CA GLY A 13 5.247 -6.634 4.409 1.00 31.24 C ATOM 216 C GLY A 13 5.165 -5.121 4.402 1.00 41.33 C ATOM 217 O GLY A 13 4.111 -4.549 4.123 1.00 35.44 O ATOM 0 H GLY A 13 7.029 -7.598 4.943 1.00 2.23 H new ATOM 0 HA2 GLY A 13 4.571 -7.035 3.653 1.00 31.24 H new ATOM 0 HA3 GLY A 13 4.905 -7.009 5.374 1.00 31.24 H new ATOM 221 N LYS A 14 6.281 -4.468 4.710 1.00 53.14 N ATOM 222 CA LYS A 14 6.332 -3.011 4.738 1.00 64.11 C ATOM 223 C LYS A 14 7.334 -2.482 3.716 1.00 33.21 C ATOM 224 O LYS A 14 7.184 -1.375 3.202 1.00 41.33 O ATOM 225 CB LYS A 14 6.709 -2.521 6.138 1.00 51.32 C ATOM 226 CG LYS A 14 7.865 -3.285 6.760 1.00 71.05 C ATOM 227 CD LYS A 14 7.377 -4.307 7.773 1.00 10.40 C ATOM 228 CE LYS A 14 7.079 -3.660 9.117 1.00 54.20 C ATOM 229 NZ LYS A 14 8.134 -3.960 10.124 1.00 70.33 N ATOM 0 H LYS A 14 7.162 -4.925 4.944 1.00 53.14 H new ATOM 0 HA LYS A 14 5.343 -2.632 4.481 1.00 64.11 H new ATOM 0 HB2 LYS A 14 6.970 -1.464 6.086 1.00 51.32 H new ATOM 0 HB3 LYS A 14 5.839 -2.603 6.789 1.00 51.32 H new ATOM 0 HG2 LYS A 14 8.432 -3.789 5.977 1.00 71.05 H new ATOM 0 HG3 LYS A 14 8.545 -2.585 7.246 1.00 71.05 H new ATOM 0 HD2 LYS A 14 6.478 -4.795 7.395 1.00 10.40 H new ATOM 0 HD3 LYS A 14 8.131 -5.083 7.901 1.00 10.40 H new ATOM 0 HE2 LYS A 14 6.995 -2.581 8.990 1.00 54.20 H new ATOM 0 HE3 LYS A 14 6.116 -4.013 9.484 1.00 54.20 H new ATOM 0 HZ1 LYS A 14 7.894 -3.501 11.026 1.00 70.33 H new ATOM 0 HZ2 LYS A 14 8.197 -4.988 10.265 1.00 70.33 H new ATOM 0 HZ3 LYS A 14 9.049 -3.600 9.786 1.00 70.33 H new ATOM 243 N GLY A 15 8.355 -3.283 3.425 1.00 11.34 N ATOM 244 CA GLY A 15 9.365 -2.878 2.465 1.00 12.10 C ATOM 245 C GLY A 15 8.778 -2.571 1.102 1.00 41.35 C ATOM 246 O GLY A 15 8.301 -1.463 0.858 1.00 5.13 O ATOM 0 H GLY A 15 8.500 -4.205 3.837 1.00 11.34 H new ATOM 0 HA2 GLY A 15 9.886 -1.997 2.840 1.00 12.10 H new ATOM 0 HA3 GLY A 15 10.108 -3.670 2.368 1.00 12.10 H new ATOM 250 N GLY A 16 8.814 -3.555 0.208 1.00 43.42 N ATOM 251 CA GLY A 16 8.281 -3.363 -1.128 1.00 73.31 C ATOM 252 C GLY A 16 9.364 -3.346 -2.188 1.00 71.42 C ATOM 253 O GLY A 16 9.154 -2.843 -3.292 1.00 33.51 O ATOM 0 H GLY A 16 9.203 -4.481 0.385 1.00 43.42 H new ATOM 0 HA2 GLY A 16 7.572 -4.160 -1.351 1.00 73.31 H new ATOM 0 HA3 GLY A 16 7.728 -2.425 -1.164 1.00 73.31 H new TER 257 GLY A 16