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+ -128:sc= -0.478 (180deg=-0.662) 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 0.766 -0.787 1.847 1.00 23.22 N ATOM 2 CA VAL A 1 1.203 -0.004 0.697 1.00 33.14 C ATOM 3 C VAL A 1 0.602 -0.544 -0.595 1.00 72.24 C ATOM 4 O VAL A 1 0.582 -1.753 -0.825 1.00 34.11 O ATOM 5 CB VAL A 1 2.738 0.003 0.573 1.00 30.03 C ATOM 6 CG1 VAL A 1 3.374 0.549 1.842 1.00 10.34 C ATOM 7 CG2 VAL A 1 3.254 -1.395 0.268 1.00 72.12 C ATOM 0 H1 VAL A 1 0.378 -0.151 2.573 1.00 23.22 H new ATOM 0 H2 VAL A 1 0.032 -1.461 1.549 1.00 23.22 H new ATOM 0 H3 VAL A 1 1.576 -1.308 2.240 1.00 23.22 H new ATOM 0 HA VAL A 1 0.855 1.016 0.858 1.00 33.14 H new ATOM 0 HB VAL A 1 3.015 0.657 -0.254 1.00 30.03 H new ATOM 0 HG11 VAL A 1 4.459 0.546 1.736 1.00 10.34 H new ATOM 0 HG12 VAL A 1 3.029 1.569 2.012 1.00 10.34 H new ATOM 0 HG13 VAL A 1 3.091 -0.076 2.689 1.00 10.34 H new ATOM 0 HG21 VAL A 1 4.340 -1.371 0.184 1.00 72.12 H new ATOM 0 HG22 VAL A 1 2.967 -2.072 1.072 1.00 72.12 H new ATOM 0 HG23 VAL A 1 2.825 -1.744 -0.671 1.00 72.12 H new ATOM 17 N ALA A 2 0.113 0.360 -1.437 1.00 41.45 N ATOM 18 CA ALA A 2 -0.486 -0.025 -2.709 1.00 53.20 C ATOM 19 C ALA A 2 0.431 0.324 -3.876 1.00 72.24 C ATOM 20 O ALA A 2 0.448 1.462 -4.346 1.00 23.22 O ATOM 21 CB ALA A 2 -1.840 0.648 -2.880 1.00 11.33 C ATOM 0 H ALA A 2 0.120 1.365 -1.261 1.00 41.45 H new ATOM 0 HA ALA A 2 -0.628 -1.106 -2.703 1.00 53.20 H new ATOM 0 HB1 ALA A 2 -2.276 0.352 -3.834 1.00 11.33 H new ATOM 0 HB2 ALA A 2 -2.502 0.345 -2.069 1.00 11.33 H new ATOM 0 HB3 ALA A 2 -1.713 1.730 -2.860 1.00 11.33 H new ATOM 27 N ARG A 3 1.192 -0.662 -4.340 1.00 30.22 N ATOM 28 CA ARG A 3 2.113 -0.458 -5.451 1.00 62.42 C ATOM 29 C ARG A 3 1.365 -0.002 -6.700 1.00 45.45 C ATOM 30 O ARG A 3 1.924 0.685 -7.554 1.00 43.35 O ATOM 31 CB ARG A 3 2.882 -1.747 -5.747 1.00 23.31 C ATOM 32 CG ARG A 3 3.585 -2.330 -4.531 1.00 52.14 C ATOM 33 CD ARG A 3 2.924 -3.620 -4.071 1.00 64.15 C ATOM 34 NE ARG A 3 2.950 -3.760 -2.618 1.00 33.00 N ATOM 35 CZ ARG A 3 2.245 -4.670 -1.955 1.00 23.40 C ATOM 36 NH1 ARG A 3 1.465 -5.517 -2.612 1.00 30.30 N ATOM 37 NH2 ARG A 3 2.321 -4.735 -0.632 1.00 23.42 N ATOM 0 H ARG A 3 1.189 -1.610 -3.964 1.00 30.22 H new ATOM 0 HA ARG A 3 2.820 0.322 -5.166 1.00 62.42 H new ATOM 0 HB2 ARG A 3 2.191 -2.489 -6.147 1.00 23.31 H new ATOM 0 HB3 ARG A 3 3.621 -1.549 -6.523 1.00 23.31 H new ATOM 0 HG2 ARG A 3 4.631 -2.521 -4.771 1.00 52.14 H new ATOM 0 HG3 ARG A 3 3.572 -1.603 -3.719 1.00 52.14 H new ATOM 0 HD2 ARG A 3 1.891 -3.642 -4.419 1.00 64.15 H new ATOM 0 HD3 ARG A 3 3.432 -4.470 -4.526 1.00 64.15 H new ATOM 0 HE ARG A 3 3.542 -3.124 -2.083 1.00 33.00 H new ATOM 0 HH11 ARG A 3 1.405 -5.471 -3.629 1.00 30.30 H new ATOM 0 HH12 ARG A 3 0.925 -6.215 -2.100 1.00 30.30 H new ATOM 0 HH21 ARG A 3 2.921 -4.086 -0.123 1.00 23.42 H new ATOM 0 HH22 ARG A 3 1.779 -5.434 -0.124 1.00 23.42 H new ATOM 51 N GLY A 4 0.097 -0.389 -6.800 1.00 24.11 N ATOM 52 CA GLY A 4 -0.706 -0.011 -7.948 1.00 1.01 C ATOM 53 C GLY A 4 -1.400 1.323 -7.756 1.00 45.10 C ATOM 54 O GLY A 4 -2.472 1.392 -7.156 1.00 74.33 O ATOM 0 H GLY A 4 -0.388 -0.958 -6.106 1.00 24.11 H new ATOM 0 HA2 GLY A 4 -0.070 0.038 -8.832 1.00 1.01 H new ATOM 0 HA3 GLY A 4 -1.453 -0.782 -8.135 1.00 1.01 H new ATOM 58 N TRP A 5 -0.786 2.385 -8.264 1.00 42.45 N ATOM 59 CA TRP A 5 -1.351 3.725 -8.144 1.00 62.43 C ATOM 60 C TRP A 5 -2.213 4.062 -9.355 1.00 54.23 C ATOM 61 O TRP A 5 -2.663 5.197 -9.513 1.00 51.50 O ATOM 62 CB TRP A 5 -0.235 4.760 -7.993 1.00 62.41 C ATOM 63 CG TRP A 5 0.203 4.958 -6.573 1.00 52.24 C ATOM 64 CD1 TRP A 5 1.244 4.339 -5.942 1.00 52.15 C ATOM 65 CD2 TRP A 5 -0.390 5.834 -5.609 1.00 0.25 C ATOM 66 NE1 TRP A 5 1.334 4.778 -4.643 1.00 71.43 N ATOM 67 CE2 TRP A 5 0.344 5.696 -4.414 1.00 34.30 C ATOM 68 CE3 TRP A 5 -1.467 6.724 -5.638 1.00 34.42 C ATOM 69 CZ2 TRP A 5 0.032 6.413 -3.262 1.00 33.31 C ATOM 70 CZ3 TRP A 5 -1.776 7.434 -4.494 1.00 1.25 C ATOM 71 CH2 TRP A 5 -1.028 7.276 -3.319 1.00 13.30 C ATOM 0 H TRP A 5 0.103 2.345 -8.763 1.00 42.45 H new ATOM 0 HA TRP A 5 -1.981 3.748 -7.255 1.00 62.43 H new ATOM 0 HB2 TRP A 5 0.622 4.449 -8.590 1.00 62.41 H new ATOM 0 HB3 TRP A 5 -0.576 5.713 -8.397 1.00 62.41 H new ATOM 0 HD1 TRP A 5 1.900 3.612 -6.397 1.00 52.15 H new ATOM 0 HE1 TRP A 5 2.026 4.470 -3.960 1.00 71.43 H new ATOM 0 HE3 TRP A 5 -2.048 6.854 -6.539 1.00 34.42 H new ATOM 0 HZ2 TRP A 5 0.606 6.292 -2.355 1.00 33.31 H new ATOM 0 HZ3 TRP A 5 -2.608 8.123 -4.505 1.00 1.25 H new ATOM 0 HH2 TRP A 5 -1.294 7.847 -2.442 1.00 13.30 H new ATOM 82 N LYS A 6 -2.442 3.070 -10.209 1.00 24.11 N ATOM 83 CA LYS A 6 -3.252 3.261 -11.406 1.00 30.21 C ATOM 84 C LYS A 6 -4.459 2.328 -11.400 1.00 12.50 C ATOM 85 O LYS A 6 -5.049 2.055 -12.445 1.00 54.33 O ATOM 86 CB LYS A 6 -2.411 3.016 -12.661 1.00 20.53 C ATOM 87 CG LYS A 6 -1.866 1.601 -12.761 1.00 12.21 C ATOM 88 CD LYS A 6 -0.369 1.561 -12.505 1.00 41.01 C ATOM 89 CE LYS A 6 0.418 2.001 -13.730 1.00 52.51 C ATOM 90 NZ LYS A 6 1.736 2.587 -13.361 1.00 44.04 N ATOM 0 H LYS A 6 -2.077 2.124 -10.094 1.00 24.11 H new ATOM 0 HA LYS A 6 -3.610 4.291 -11.412 1.00 30.21 H new ATOM 0 HB2 LYS A 6 -3.018 3.226 -13.542 1.00 20.53 H new ATOM 0 HB3 LYS A 6 -1.578 3.719 -12.673 1.00 20.53 H new ATOM 0 HG2 LYS A 6 -2.376 0.962 -12.041 1.00 12.21 H new ATOM 0 HG3 LYS A 6 -2.078 1.198 -13.751 1.00 12.21 H new ATOM 0 HD2 LYS A 6 -0.125 2.209 -11.663 1.00 41.01 H new ATOM 0 HD3 LYS A 6 -0.074 0.550 -12.225 1.00 41.01 H new ATOM 0 HE2 LYS A 6 0.572 1.146 -14.389 1.00 52.51 H new ATOM 0 HE3 LYS A 6 -0.162 2.735 -14.290 1.00 52.51 H new ATOM 0 HZ1 LYS A 6 2.242 2.874 -14.223 1.00 44.04 H new ATOM 0 HZ2 LYS A 6 1.589 3.418 -12.753 1.00 44.04 H new ATOM 0 HZ3 LYS A 6 2.300 1.879 -12.849 1.00 44.04 H new ATOM 104 N ARG A 7 -4.822 1.845 -10.216 1.00 63.44 N ATOM 105 CA ARG A 7 -5.959 0.943 -10.075 1.00 41.33 C ATOM 106 C ARG A 7 -7.013 1.540 -9.147 1.00 73.43 C ATOM 107 O ARG A 7 -8.030 2.065 -9.601 1.00 40.12 O ATOM 108 CB ARG A 7 -5.498 -0.413 -9.537 1.00 15.40 C ATOM 109 CG ARG A 7 -4.783 -1.267 -10.570 1.00 60.15 C ATOM 110 CD ARG A 7 -3.391 -1.660 -10.101 1.00 60.11 C ATOM 111 NE ARG A 7 -3.435 -2.615 -8.997 1.00 0.12 N ATOM 112 CZ ARG A 7 -2.381 -3.308 -8.582 1.00 65.44 C ATOM 113 NH1 ARG A 7 -1.206 -3.154 -9.177 1.00 43.33 N ATOM 114 NH2 ARG A 7 -2.500 -4.158 -7.571 1.00 21.45 N ATOM 0 H ARG A 7 -4.345 2.063 -9.341 1.00 63.44 H new ATOM 0 HA ARG A 7 -6.404 0.802 -11.060 1.00 41.33 H new ATOM 0 HB2 ARG A 7 -4.833 -0.251 -8.689 1.00 15.40 H new ATOM 0 HB3 ARG A 7 -6.364 -0.959 -9.163 1.00 15.40 H new ATOM 0 HG2 ARG A 7 -5.368 -2.165 -10.769 1.00 60.15 H new ATOM 0 HG3 ARG A 7 -4.710 -0.719 -11.509 1.00 60.15 H new ATOM 0 HD2 ARG A 7 -2.837 -2.094 -10.934 1.00 60.11 H new ATOM 0 HD3 ARG A 7 -2.849 -0.768 -9.787 1.00 60.11 H new ATOM 0 HE ARG A 7 -4.324 -2.758 -8.518 1.00 0.12 H new ATOM 0 HH11 ARG A 7 -1.110 -2.502 -9.955 1.00 43.33 H new ATOM 0 HH12 ARG A 7 -0.398 -3.688 -8.856 1.00 43.33 H new ATOM 0 HH21 ARG A 7 -3.402 -4.280 -7.111 1.00 21.45 H new ATOM 0 HH22 ARG A 7 -1.689 -4.690 -7.253 1.00 21.45 H new ATOM 128 N LYS A 8 -6.764 1.454 -7.845 1.00 32.10 N ATOM 129 CA LYS A 8 -7.690 1.985 -6.852 1.00 33.11 C ATOM 130 C LYS A 8 -7.252 3.369 -6.384 1.00 25.22 C ATOM 131 O LYS A 8 -7.855 3.949 -5.480 1.00 64.21 O ATOM 132 CB LYS A 8 -7.786 1.036 -5.655 1.00 4.54 C ATOM 133 CG LYS A 8 -6.449 0.766 -4.985 1.00 73.44 C ATOM 134 CD LYS A 8 -6.066 -0.702 -5.078 1.00 54.04 C ATOM 135 CE LYS A 8 -6.579 -1.489 -3.882 1.00 55.30 C ATOM 136 NZ LYS A 8 -6.699 -2.942 -4.184 1.00 14.01 N ATOM 0 H LYS A 8 -5.928 1.021 -7.453 1.00 32.10 H new ATOM 0 HA LYS A 8 -8.672 2.073 -7.318 1.00 33.11 H new ATOM 0 HB2 LYS A 8 -8.472 1.458 -4.921 1.00 4.54 H new ATOM 0 HB3 LYS A 8 -8.215 0.090 -5.985 1.00 4.54 H new ATOM 0 HG2 LYS A 8 -5.676 1.375 -5.454 1.00 73.44 H new ATOM 0 HG3 LYS A 8 -6.499 1.065 -3.938 1.00 73.44 H new ATOM 0 HD2 LYS A 8 -6.472 -1.127 -5.996 1.00 54.04 H new ATOM 0 HD3 LYS A 8 -4.981 -0.793 -5.137 1.00 54.04 H new ATOM 0 HE2 LYS A 8 -5.904 -1.348 -3.038 1.00 55.30 H new ATOM 0 HE3 LYS A 8 -7.551 -1.099 -3.581 1.00 55.30 H new ATOM 0 HZ1 LYS A 8 -7.052 -3.443 -3.344 1.00 14.01 H new ATOM 0 HZ2 LYS A 8 -7.363 -3.079 -4.973 1.00 14.01 H new ATOM 0 HZ3 LYS A 8 -5.766 -3.320 -4.447 1.00 14.01 H new ATOM 150 N CYS A 9 -6.200 3.892 -7.005 1.00 14.43 N ATOM 151 CA CYS A 9 -5.682 5.209 -6.652 1.00 4.23 C ATOM 152 C CYS A 9 -5.711 6.146 -7.855 1.00 61.42 C ATOM 153 O CYS A 9 -4.687 6.428 -8.478 1.00 11.41 O ATOM 154 CB CYS A 9 -4.254 5.091 -6.117 1.00 2.13 C ATOM 155 SG CYS A 9 -4.036 3.797 -4.872 1.00 54.34 S ATOM 0 H CYS A 9 -5.690 3.425 -7.754 1.00 14.43 H new ATOM 0 HA CYS A 9 -6.321 5.627 -5.874 1.00 4.23 H new ATOM 0 HB2 CYS A 9 -3.580 4.895 -6.951 1.00 2.13 H new ATOM 0 HB3 CYS A 9 -3.959 6.048 -5.687 1.00 2.13 H new ATOM 0 HG CYS A 9 -2.796 3.774 -4.483 1.00 54.34 H new ATOM 161 N PRO A 10 -6.912 6.638 -8.193 1.00 61.22 N ATOM 162 CA PRO A 10 -7.104 7.549 -9.325 1.00 60.14 C ATOM 163 C PRO A 10 -6.502 8.926 -9.070 1.00 14.55 C ATOM 164 O PRO A 10 -7.225 9.906 -8.883 1.00 14.13 O ATOM 165 CB PRO A 10 -8.627 7.645 -9.449 1.00 63.11 C ATOM 166 CG PRO A 10 -9.138 7.337 -8.084 1.00 42.30 C ATOM 167 CD PRO A 10 -8.175 6.343 -7.496 1.00 1.44 C ATOM 0 HA PRO A 10 -6.611 7.187 -10.227 1.00 60.14 H new ATOM 0 HB2 PRO A 10 -8.936 8.639 -9.773 1.00 63.11 H new ATOM 0 HB3 PRO A 10 -9.010 6.937 -10.184 1.00 63.11 H new ATOM 0 HG2 PRO A 10 -9.189 8.239 -7.474 1.00 42.30 H new ATOM 0 HG3 PRO A 10 -10.146 6.925 -8.128 1.00 42.30 H new ATOM 0 HD2 PRO A 10 -8.077 6.468 -6.418 1.00 1.44 H new ATOM 0 HD3 PRO A 10 -8.500 5.317 -7.670 1.00 1.44 H new ATOM 175 N LEU A 11 -5.176 8.995 -9.063 1.00 2.54 N ATOM 176 CA LEU A 11 -4.476 10.254 -8.830 1.00 53.41 C ATOM 177 C LEU A 11 -3.582 10.608 -10.014 1.00 74.55 C ATOM 178 O LEU A 11 -3.803 11.610 -10.695 1.00 25.13 O ATOM 179 CB LEU A 11 -3.639 10.167 -7.553 1.00 11.02 C ATOM 180 CG LEU A 11 -4.286 10.730 -6.287 1.00 22.34 C ATOM 181 CD1 LEU A 11 -3.369 10.538 -5.089 1.00 3.34 C ATOM 182 CD2 LEU A 11 -4.626 12.201 -6.470 1.00 51.54 C ATOM 0 H LEU A 11 -4.563 8.194 -9.216 1.00 2.54 H new ATOM 0 HA LEU A 11 -5.223 11.040 -8.715 1.00 53.41 H new ATOM 0 HB2 LEU A 11 -3.391 9.121 -7.376 1.00 11.02 H new ATOM 0 HB3 LEU A 11 -2.699 10.693 -7.722 1.00 11.02 H new ATOM 0 HG LEU A 11 -5.211 10.185 -6.102 1.00 22.34 H new ATOM 0 HD11 LEU A 11 -3.846 10.945 -4.197 1.00 3.34 H new ATOM 0 HD12 LEU A 11 -3.176 9.475 -4.945 1.00 3.34 H new ATOM 0 HD13 LEU A 11 -2.427 11.057 -5.265 1.00 3.34 H new ATOM 0 HD21 LEU A 11 -5.086 12.584 -5.559 1.00 51.54 H new ATOM 0 HD22 LEU A 11 -3.715 12.761 -6.681 1.00 51.54 H new ATOM 0 HD23 LEU A 11 -5.321 12.313 -7.302 1.00 51.54 H new ATOM 194 N PHE A 12 -2.574 9.776 -10.257 1.00 13.31 N ATOM 195 CA PHE A 12 -1.647 10.000 -11.360 1.00 75.12 C ATOM 196 C PHE A 12 -2.064 9.200 -12.591 1.00 54.42 C ATOM 197 O PHE A 12 -1.227 8.806 -13.402 1.00 12.31 O ATOM 198 CB PHE A 12 -0.226 9.615 -10.946 1.00 3.22 C ATOM 199 CG PHE A 12 0.170 10.146 -9.598 1.00 3.41 C ATOM 200 CD1 PHE A 12 -0.145 9.448 -8.443 1.00 53.14 C ATOM 201 CD2 PHE A 12 0.858 11.344 -9.485 1.00 64.42 C ATOM 202 CE1 PHE A 12 0.217 9.935 -7.202 1.00 2.21 C ATOM 203 CE2 PHE A 12 1.224 11.836 -8.246 1.00 60.53 C ATOM 204 CZ PHE A 12 0.904 11.130 -7.103 1.00 72.32 C ATOM 0 H PHE A 12 -2.379 8.941 -9.705 1.00 13.31 H new ATOM 0 HA PHE A 12 -1.670 11.060 -11.612 1.00 75.12 H new ATOM 0 HB2 PHE A 12 -0.140 8.528 -10.939 1.00 3.22 H new ATOM 0 HB3 PHE A 12 0.475 9.986 -11.694 1.00 3.22 H new ATOM 0 HD1 PHE A 12 -0.680 8.512 -8.514 1.00 53.14 H new ATOM 0 HD2 PHE A 12 1.111 11.900 -10.376 1.00 64.42 H new ATOM 0 HE1 PHE A 12 -0.037 9.382 -6.310 1.00 2.21 H new ATOM 0 HE2 PHE A 12 1.759 12.771 -8.172 1.00 60.53 H new ATOM 0 HZ PHE A 12 1.190 11.511 -6.134 1.00 72.32 H new ATOM 214 N GLY A 13 -3.366 8.964 -12.723 1.00 53.23 N ATOM 215 CA GLY A 13 -3.873 8.213 -13.857 1.00 24.52 C ATOM 216 C GLY A 13 -3.778 8.988 -15.156 1.00 15.34 C ATOM 217 O GLY A 13 -3.603 8.405 -16.225 1.00 64.43 O ATOM 0 H GLY A 13 -4.079 9.279 -12.065 1.00 53.23 H new ATOM 0 HA2 GLY A 13 -3.314 7.282 -13.951 1.00 24.52 H new ATOM 0 HA3 GLY A 13 -4.913 7.943 -13.674 1.00 24.52 H new ATOM 221 N LYS A 14 -3.897 10.309 -15.064 1.00 75.53 N ATOM 222 CA LYS A 14 -3.825 11.167 -16.241 1.00 34.13 C ATOM 223 C LYS A 14 -2.603 12.077 -16.176 1.00 61.12 C ATOM 224 O LYS A 14 -2.587 13.155 -16.769 1.00 35.12 O ATOM 225 CB LYS A 14 -5.097 12.011 -16.361 1.00 24.45 C ATOM 226 CG LYS A 14 -5.533 12.642 -15.050 1.00 13.01 C ATOM 227 CD LYS A 14 -6.581 11.797 -14.346 1.00 32.34 C ATOM 228 CE LYS A 14 -7.986 12.152 -14.808 1.00 32.45 C ATOM 229 NZ LYS A 14 -8.724 12.941 -13.783 1.00 33.43 N ATOM 0 H LYS A 14 -4.044 10.808 -14.187 1.00 75.53 H new ATOM 0 HA LYS A 14 -3.735 10.529 -17.120 1.00 34.13 H new ATOM 0 HB2 LYS A 14 -4.933 12.798 -17.097 1.00 24.45 H new ATOM 0 HB3 LYS A 14 -5.905 11.384 -16.739 1.00 24.45 H new ATOM 0 HG2 LYS A 14 -4.667 12.766 -14.399 1.00 13.01 H new ATOM 0 HG3 LYS A 14 -5.934 13.637 -15.240 1.00 13.01 H new ATOM 0 HD2 LYS A 14 -6.389 10.742 -14.540 1.00 32.34 H new ATOM 0 HD3 LYS A 14 -6.504 11.943 -13.269 1.00 32.34 H new ATOM 0 HE2 LYS A 14 -7.930 12.723 -15.735 1.00 32.45 H new ATOM 0 HE3 LYS A 14 -8.537 11.238 -15.029 1.00 32.45 H new ATOM 0 HZ1 LYS A 14 -9.677 13.163 -14.136 1.00 33.43 H new ATOM 0 HZ2 LYS A 14 -8.800 12.387 -12.906 1.00 33.43 H new ATOM 0 HZ3 LYS A 14 -8.211 13.825 -13.590 1.00 33.43 H new ATOM 243 N GLY A 15 -1.578 11.634 -15.453 1.00 54.13 N ATOM 244 CA GLY A 15 -0.365 12.421 -15.326 1.00 74.54 C ATOM 245 C GLY A 15 0.810 11.794 -16.050 1.00 51.35 C ATOM 246 O GLY A 15 1.418 12.420 -16.918 1.00 23.41 O ATOM 0 H GLY A 15 -1.566 10.745 -14.953 1.00 54.13 H new ATOM 0 HA2 GLY A 15 -0.541 13.421 -15.723 1.00 74.54 H new ATOM 0 HA3 GLY A 15 -0.119 12.536 -14.270 1.00 74.54 H new ATOM 250 N GLY A 16 1.132 10.555 -15.692 1.00 72.13 N ATOM 251 CA GLY A 16 2.242 9.865 -16.323 1.00 3.33 C ATOM 252 C GLY A 16 3.171 9.219 -15.314 1.00 71.41 C ATOM 253 O GLY A 16 3.541 8.053 -15.459 1.00 15.52 O ATOM 0 H GLY A 16 0.644 10.017 -14.976 1.00 72.13 H new ATOM 0 HA2 GLY A 16 1.855 9.101 -16.997 1.00 3.33 H new ATOM 0 HA3 GLY A 16 2.806 10.571 -16.932 1.00 3.33 H new TER 257 GLY A 16