USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 264 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 Set 1.1: A 9 CYS SG : rot -154:sc= -24.1! USER MOD Set 1.2: B 9 CYS SG : rot -88:sc= -16.9! USER MOD Single : A 1 VAL N :NH3+ -163:sc= -0.0445 (180deg=-0.477) 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -164:sc= -0.059 (180deg=-0.466) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.200 -0.596 -0.323 1.00 65.52 N ATOM 2 CA VAL A 1 2.071 -0.464 -1.485 1.00 24.40 C ATOM 3 C VAL A 1 3.363 -1.251 -1.296 1.00 25.15 C ATOM 4 O VAL A 1 3.897 -1.331 -0.190 1.00 3.54 O ATOM 5 CB VAL A 1 2.417 1.011 -1.762 1.00 64.32 C ATOM 6 CG1 VAL A 1 3.358 1.124 -2.952 1.00 4.11 C ATOM 7 CG2 VAL A 1 1.151 1.820 -1.995 1.00 35.01 C ATOM 0 H1 VAL A 1 0.234 -0.306 -0.578 1.00 65.52 H new ATOM 0 H2 VAL A 1 1.192 -1.586 -0.006 1.00 65.52 H new ATOM 0 H3 VAL A 1 1.552 0.010 0.445 1.00 65.52 H new ATOM 0 HA VAL A 1 1.525 -0.868 -2.337 1.00 24.40 H new ATOM 0 HB VAL A 1 2.925 1.418 -0.887 1.00 64.32 H new ATOM 0 HG11 VAL A 1 3.591 2.173 -3.133 1.00 4.11 H new ATOM 0 HG12 VAL A 1 4.278 0.579 -2.741 1.00 4.11 H new ATOM 0 HG13 VAL A 1 2.880 0.701 -3.836 1.00 4.11 H new ATOM 0 HG21 VAL A 1 1.414 2.860 -2.189 1.00 35.01 H new ATOM 0 HG22 VAL A 1 0.613 1.416 -2.853 1.00 35.01 H new ATOM 0 HG23 VAL A 1 0.516 1.766 -1.110 1.00 35.01 H new ATOM 17 N ALA A 2 3.861 -1.831 -2.383 1.00 25.03 N ATOM 18 CA ALA A 2 5.093 -2.610 -2.337 1.00 52.31 C ATOM 19 C ALA A 2 6.261 -1.762 -1.844 1.00 54.02 C ATOM 20 O ALA A 2 6.678 -1.874 -0.692 1.00 24.23 O ATOM 21 CB ALA A 2 5.401 -3.190 -3.709 1.00 44.03 C ATOM 0 H ALA A 2 3.431 -1.776 -3.306 1.00 25.03 H new ATOM 0 HA ALA A 2 4.950 -3.429 -1.632 1.00 52.31 H new ATOM 0 HB1 ALA A 2 6.323 -3.769 -3.661 1.00 44.03 H new ATOM 0 HB2 ALA A 2 4.582 -3.837 -4.023 1.00 44.03 H new ATOM 0 HB3 ALA A 2 5.519 -2.380 -4.428 1.00 44.03 H new ATOM 27 N ARG A 3 6.784 -0.915 -2.724 1.00 54.35 N ATOM 28 CA ARG A 3 7.905 -0.049 -2.379 1.00 31.42 C ATOM 29 C ARG A 3 7.528 1.420 -2.541 1.00 53.23 C ATOM 30 O ARG A 3 6.541 1.885 -1.972 1.00 4.23 O ATOM 31 CB ARG A 3 9.117 -0.376 -3.253 1.00 51.43 C ATOM 32 CG ARG A 3 9.614 -1.804 -3.097 1.00 52.55 C ATOM 33 CD ARG A 3 8.962 -2.734 -4.109 1.00 4.40 C ATOM 34 NE ARG A 3 9.941 -3.590 -4.775 1.00 14.52 N ATOM 35 CZ ARG A 3 10.414 -4.713 -4.247 1.00 1.20 C ATOM 36 NH1 ARG A 3 10.001 -5.114 -3.053 1.00 11.44 N ATOM 37 NH2 ARG A 3 11.303 -5.438 -4.914 1.00 55.15 N ATOM 0 H ARG A 3 6.449 -0.810 -3.682 1.00 54.35 H new ATOM 0 HA ARG A 3 8.161 -0.227 -1.334 1.00 31.42 H new ATOM 0 HB2 ARG A 3 8.858 -0.203 -4.298 1.00 51.43 H new ATOM 0 HB3 ARG A 3 9.927 0.310 -3.007 1.00 51.43 H new ATOM 0 HG2 ARG A 3 10.696 -1.830 -3.222 1.00 52.55 H new ATOM 0 HG3 ARG A 3 9.402 -2.156 -2.088 1.00 52.55 H new ATOM 0 HD2 ARG A 3 8.220 -3.355 -3.606 1.00 4.40 H new ATOM 0 HD3 ARG A 3 8.430 -2.143 -4.855 1.00 4.40 H new ATOM 0 HE ARG A 3 10.280 -3.310 -5.695 1.00 14.52 H new ATOM 0 HH11 ARG A 3 9.318 -4.560 -2.537 1.00 11.44 H new ATOM 0 HH12 ARG A 3 10.366 -5.977 -2.650 1.00 11.44 H new ATOM 0 HH21 ARG A 3 11.624 -5.133 -5.833 1.00 55.15 H new ATOM 0 HH22 ARG A 3 11.666 -6.300 -4.508 1.00 55.15 H new ATOM 51 N GLY A 4 8.321 2.147 -3.323 1.00 20.21 N ATOM 52 CA GLY A 4 8.054 3.556 -3.546 1.00 24.22 C ATOM 53 C GLY A 4 8.067 3.923 -5.016 1.00 71.35 C ATOM 54 O GLY A 4 9.124 4.195 -5.586 1.00 32.20 O ATOM 0 H GLY A 4 9.143 1.785 -3.806 1.00 20.21 H new ATOM 0 HA2 GLY A 4 7.084 3.811 -3.120 1.00 24.22 H new ATOM 0 HA3 GLY A 4 8.800 4.152 -3.019 1.00 24.22 H new ATOM 58 N TRP A 5 6.891 3.929 -5.633 1.00 34.42 N ATOM 59 CA TRP A 5 6.771 4.263 -7.047 1.00 51.15 C ATOM 60 C TRP A 5 7.191 5.706 -7.303 1.00 43.30 C ATOM 61 O TRP A 5 6.370 6.622 -7.248 1.00 60.14 O ATOM 62 CB TRP A 5 5.334 4.045 -7.524 1.00 50.53 C ATOM 63 CG TRP A 5 4.708 2.800 -6.974 1.00 14.25 C ATOM 64 CD1 TRP A 5 3.405 2.635 -6.597 1.00 41.25 C ATOM 65 CD2 TRP A 5 5.358 1.547 -6.735 1.00 52.04 C ATOM 66 NE1 TRP A 5 3.206 1.355 -6.140 1.00 25.11 N ATOM 67 CE2 TRP A 5 4.389 0.667 -6.215 1.00 53.11 C ATOM 68 CE3 TRP A 5 6.664 1.082 -6.913 1.00 35.00 C ATOM 69 CZ2 TRP A 5 4.687 -0.649 -5.871 1.00 13.44 C ATOM 70 CZ3 TRP A 5 6.958 -0.224 -6.570 1.00 72.03 C ATOM 71 CH2 TRP A 5 5.973 -1.077 -6.055 1.00 21.32 C ATOM 0 H TRP A 5 6.007 3.706 -5.176 1.00 34.42 H new ATOM 0 HA TRP A 5 7.436 3.606 -7.607 1.00 51.15 H new ATOM 0 HB2 TRP A 5 4.729 4.905 -7.236 1.00 50.53 H new ATOM 0 HB3 TRP A 5 5.323 3.998 -8.613 1.00 50.53 H new ATOM 0 HD1 TRP A 5 2.643 3.399 -6.650 1.00 41.25 H new ATOM 0 HE1 TRP A 5 2.321 0.978 -5.800 1.00 25.11 H new ATOM 0 HE3 TRP A 5 7.429 1.732 -7.311 1.00 35.00 H new ATOM 0 HZ2 TRP A 5 3.930 -1.308 -5.473 1.00 13.44 H new ATOM 0 HZ3 TRP A 5 7.964 -0.593 -6.701 1.00 72.03 H new ATOM 0 HH2 TRP A 5 6.234 -2.093 -5.798 1.00 21.32 H new ATOM 82 N LYS A 6 8.475 5.903 -7.582 1.00 43.34 N ATOM 83 CA LYS A 6 9.005 7.235 -7.848 1.00 43.42 C ATOM 84 C LYS A 6 9.513 7.343 -9.282 1.00 63.45 C ATOM 85 O LYS A 6 8.740 7.237 -10.234 1.00 72.24 O ATOM 86 CB LYS A 6 10.136 7.562 -6.870 1.00 32.53 C ATOM 87 CG LYS A 6 9.687 7.623 -5.420 1.00 72.20 C ATOM 88 CD LYS A 6 10.773 7.130 -4.479 1.00 0.45 C ATOM 89 CE LYS A 6 11.390 8.276 -3.691 1.00 54.31 C ATOM 90 NZ LYS A 6 12.516 7.816 -2.832 1.00 52.31 N ATOM 0 H LYS A 6 9.168 5.156 -7.630 1.00 43.34 H new ATOM 0 HA LYS A 6 8.196 7.953 -7.712 1.00 43.42 H new ATOM 0 HB2 LYS A 6 10.919 6.810 -6.968 1.00 32.53 H new ATOM 0 HB3 LYS A 6 10.578 8.520 -7.145 1.00 32.53 H new ATOM 0 HG2 LYS A 6 9.420 8.648 -5.164 1.00 72.20 H new ATOM 0 HG3 LYS A 6 8.790 7.018 -5.290 1.00 72.20 H new ATOM 0 HD2 LYS A 6 10.354 6.397 -3.790 1.00 0.45 H new ATOM 0 HD3 LYS A 6 11.549 6.621 -5.051 1.00 0.45 H new ATOM 0 HE2 LYS A 6 11.748 9.040 -4.381 1.00 54.31 H new ATOM 0 HE3 LYS A 6 10.626 8.742 -3.069 1.00 54.31 H new ATOM 0 HZ1 LYS A 6 12.909 8.626 -2.312 1.00 52.31 H new ATOM 0 HZ2 LYS A 6 12.169 7.106 -2.156 1.00 52.31 H new ATOM 0 HZ3 LYS A 6 13.257 7.394 -3.427 1.00 52.31 H new ATOM 104 N ARG A 7 10.818 7.552 -9.429 1.00 75.44 N ATOM 105 CA ARG A 7 11.428 7.673 -10.748 1.00 22.43 C ATOM 106 C ARG A 7 11.792 6.300 -11.306 1.00 42.03 C ATOM 107 O ARG A 7 11.034 5.710 -12.076 1.00 32.42 O ATOM 108 CB ARG A 7 12.677 8.553 -10.676 1.00 10.31 C ATOM 109 CG ARG A 7 13.329 8.574 -9.303 1.00 45.13 C ATOM 110 CD ARG A 7 14.779 9.027 -9.382 1.00 51.34 C ATOM 111 NE ARG A 7 15.144 9.892 -8.264 1.00 12.15 N ATOM 112 CZ ARG A 7 16.399 10.182 -7.937 1.00 75.42 C ATOM 113 NH1 ARG A 7 17.403 9.678 -8.641 1.00 41.21 N ATOM 114 NH2 ARG A 7 16.650 10.977 -6.905 1.00 64.42 N ATOM 0 H ARG A 7 11.472 7.641 -8.652 1.00 75.44 H new ATOM 0 HA ARG A 7 10.702 8.137 -11.416 1.00 22.43 H new ATOM 0 HB2 ARG A 7 13.403 8.199 -11.408 1.00 10.31 H new ATOM 0 HB3 ARG A 7 12.410 9.572 -10.958 1.00 10.31 H new ATOM 0 HG2 ARG A 7 12.773 9.242 -8.645 1.00 45.13 H new ATOM 0 HG3 ARG A 7 13.281 7.579 -8.861 1.00 45.13 H new ATOM 0 HD2 ARG A 7 15.431 8.154 -9.393 1.00 51.34 H new ATOM 0 HD3 ARG A 7 14.942 9.558 -10.320 1.00 51.34 H new ATOM 0 HE ARG A 7 14.394 10.296 -7.703 1.00 12.15 H new ATOM 0 HH11 ARG A 7 17.213 9.067 -9.435 1.00 41.21 H new ATOM 0 HH12 ARG A 7 18.366 9.902 -8.389 1.00 41.21 H new ATOM 0 HH21 ARG A 7 15.879 11.366 -6.362 1.00 64.42 H new ATOM 0 HH22 ARG A 7 17.614 11.199 -6.655 1.00 64.42 H new ATOM 128 N LYS A 8 12.958 5.798 -10.914 1.00 60.41 N ATOM 129 CA LYS A 8 13.424 4.495 -11.374 1.00 32.30 C ATOM 130 C LYS A 8 12.492 3.385 -10.899 1.00 35.12 C ATOM 131 O LYS A 8 12.761 2.720 -9.898 1.00 70.32 O ATOM 132 CB LYS A 8 14.845 4.232 -10.871 1.00 60.41 C ATOM 133 CG LYS A 8 15.821 5.350 -11.194 1.00 62.51 C ATOM 134 CD LYS A 8 16.718 4.986 -12.366 1.00 33.22 C ATOM 135 CE LYS A 8 17.981 4.276 -11.902 1.00 54.11 C ATOM 136 NZ LYS A 8 18.234 3.031 -12.679 1.00 1.13 N ATOM 0 H LYS A 8 13.598 6.274 -10.278 1.00 60.41 H new ATOM 0 HA LYS A 8 13.426 4.502 -12.464 1.00 32.30 H new ATOM 0 HB2 LYS A 8 14.818 4.085 -9.791 1.00 60.41 H new ATOM 0 HB3 LYS A 8 15.211 3.304 -11.310 1.00 60.41 H new ATOM 0 HG2 LYS A 8 15.269 6.261 -11.426 1.00 62.51 H new ATOM 0 HG3 LYS A 8 16.434 5.564 -10.318 1.00 62.51 H new ATOM 0 HD2 LYS A 8 16.172 4.345 -13.058 1.00 33.22 H new ATOM 0 HD3 LYS A 8 16.987 5.889 -12.914 1.00 33.22 H new ATOM 0 HE2 LYS A 8 18.834 4.947 -12.004 1.00 54.11 H new ATOM 0 HE3 LYS A 8 17.892 4.032 -10.843 1.00 54.11 H new ATOM 0 HZ1 LYS A 8 19.103 2.576 -12.333 1.00 1.13 H new ATOM 0 HZ2 LYS A 8 17.432 2.379 -12.561 1.00 1.13 H new ATOM 0 HZ3 LYS A 8 18.344 3.267 -13.686 1.00 1.13 H new ATOM 150 N CYS A 9 11.395 3.189 -11.623 1.00 52.10 N ATOM 151 CA CYS A 9 10.423 2.159 -11.277 1.00 12.23 C ATOM 152 C CYS A 9 11.122 0.890 -10.799 1.00 21.04 C ATOM 153 O CYS A 9 11.623 0.091 -11.591 1.00 1.54 O ATOM 154 CB CYS A 9 9.534 1.842 -12.481 1.00 14.14 C ATOM 155 SG CYS A 9 8.669 3.291 -13.168 1.00 60.45 S ATOM 0 H CYS A 9 11.157 3.731 -12.454 1.00 52.10 H new ATOM 0 HA CYS A 9 9.802 2.539 -10.465 1.00 12.23 H new ATOM 0 HB2 CYS A 9 10.146 1.393 -13.263 1.00 14.14 H new ATOM 0 HB3 CYS A 9 8.795 1.096 -12.187 1.00 14.14 H new ATOM 0 HG CYS A 9 7.582 2.904 -13.767 1.00 60.45 H new ATOM 160 N PRO A 10 11.157 0.698 -9.472 1.00 4.04 N ATOM 161 CA PRO A 10 11.791 -0.472 -8.858 1.00 25.44 C ATOM 162 C PRO A 10 11.015 -1.758 -9.122 1.00 13.35 C ATOM 163 O PRO A 10 11.551 -2.716 -9.680 1.00 52.43 O ATOM 164 CB PRO A 10 11.781 -0.139 -7.364 1.00 2.52 C ATOM 165 CG PRO A 10 10.645 0.811 -7.195 1.00 63.45 C ATOM 166 CD PRO A 10 10.580 1.609 -8.468 1.00 64.53 C ATOM 0 HA PRO A 10 12.787 -0.653 -9.261 1.00 25.44 H new ATOM 0 HB2 PRO A 10 11.641 -1.035 -6.760 1.00 2.52 H new ATOM 0 HB3 PRO A 10 12.723 0.311 -7.052 1.00 2.52 H new ATOM 0 HG2 PRO A 10 9.711 0.276 -7.022 1.00 63.45 H new ATOM 0 HG3 PRO A 10 10.804 1.461 -6.335 1.00 63.45 H new ATOM 0 HD2 PRO A 10 9.555 1.885 -8.717 1.00 64.53 H new ATOM 0 HD3 PRO A 10 11.150 2.535 -8.391 1.00 64.53 H new ATOM 174 N LEU A 11 9.749 -1.772 -8.717 1.00 25.40 N ATOM 175 CA LEU A 11 8.898 -2.941 -8.910 1.00 51.05 C ATOM 176 C LEU A 11 7.975 -2.749 -10.109 1.00 74.44 C ATOM 177 O LEU A 11 8.082 -3.460 -11.109 1.00 20.52 O ATOM 178 CB LEU A 11 8.070 -3.207 -7.652 1.00 71.01 C ATOM 179 CG LEU A 11 7.451 -4.601 -7.538 1.00 41.30 C ATOM 180 CD1 LEU A 11 6.304 -4.758 -8.524 1.00 11.31 C ATOM 181 CD2 LEU A 11 8.506 -5.673 -7.769 1.00 72.00 C ATOM 0 H LEU A 11 9.290 -0.988 -8.254 1.00 25.40 H new ATOM 0 HA LEU A 11 9.540 -3.800 -9.103 1.00 51.05 H new ATOM 0 HB2 LEU A 11 8.705 -3.041 -6.782 1.00 71.01 H new ATOM 0 HB3 LEU A 11 7.268 -2.470 -7.607 1.00 71.01 H new ATOM 0 HG LEU A 11 7.055 -4.721 -6.530 1.00 41.30 H new ATOM 0 HD11 LEU A 11 5.876 -5.756 -8.428 1.00 11.31 H new ATOM 0 HD12 LEU A 11 5.537 -4.013 -8.312 1.00 11.31 H new ATOM 0 HD13 LEU A 11 6.675 -4.618 -9.539 1.00 11.31 H new ATOM 0 HD21 LEU A 11 8.048 -6.658 -7.684 1.00 72.00 H new ATOM 0 HD22 LEU A 11 8.932 -5.555 -8.765 1.00 72.00 H new ATOM 0 HD23 LEU A 11 9.295 -5.574 -7.023 1.00 72.00 H new ATOM 193 N PHE A 12 7.069 -1.783 -10.004 1.00 12.13 N ATOM 194 CA PHE A 12 6.127 -1.496 -11.080 1.00 22.53 C ATOM 195 C PHE A 12 6.857 -0.995 -12.322 1.00 43.41 C ATOM 196 O PHE A 12 6.835 0.196 -12.630 1.00 4.33 O ATOM 197 CB PHE A 12 5.100 -0.458 -10.624 1.00 74.41 C ATOM 198 CG PHE A 12 5.620 0.950 -10.647 1.00 2.35 C ATOM 199 CD1 PHE A 12 6.792 1.280 -9.986 1.00 4.44 C ATOM 200 CD2 PHE A 12 4.937 1.945 -11.328 1.00 60.41 C ATOM 201 CE1 PHE A 12 7.274 2.576 -10.005 1.00 24.35 C ATOM 202 CE2 PHE A 12 5.414 3.241 -11.351 1.00 4.40 C ATOM 203 CZ PHE A 12 6.584 3.558 -10.687 1.00 72.43 C ATOM 0 H PHE A 12 6.967 -1.185 -9.184 1.00 12.13 H new ATOM 0 HA PHE A 12 5.610 -2.421 -11.333 1.00 22.53 H new ATOM 0 HB2 PHE A 12 4.221 -0.523 -11.265 1.00 74.41 H new ATOM 0 HB3 PHE A 12 4.775 -0.700 -9.612 1.00 74.41 H new ATOM 0 HD1 PHE A 12 7.335 0.516 -9.450 1.00 4.44 H new ATOM 0 HD2 PHE A 12 4.021 1.704 -11.847 1.00 60.41 H new ATOM 0 HE1 PHE A 12 8.190 2.820 -9.487 1.00 24.35 H new ATOM 0 HE2 PHE A 12 4.873 4.006 -11.888 1.00 4.40 H new ATOM 0 HZ PHE A 12 6.957 4.571 -10.702 1.00 72.43 H new ATOM 213 N GLY A 13 7.505 -1.913 -13.033 1.00 33.55 N ATOM 214 CA GLY A 13 8.233 -1.546 -14.233 1.00 2.24 C ATOM 215 C GLY A 13 7.822 -2.371 -15.436 1.00 2.30 C ATOM 216 O GLY A 13 6.716 -2.218 -15.955 1.00 43.31 O ATOM 0 H GLY A 13 7.538 -2.905 -12.799 1.00 33.55 H new ATOM 0 HA2 GLY A 13 8.067 -0.490 -14.446 1.00 2.24 H new ATOM 0 HA3 GLY A 13 9.302 -1.671 -14.058 1.00 2.24 H new ATOM 220 N LYS A 14 8.715 -3.248 -15.883 1.00 11.41 N ATOM 221 CA LYS A 14 8.441 -4.100 -17.033 1.00 73.44 C ATOM 222 C LYS A 14 7.066 -4.751 -16.913 1.00 64.10 C ATOM 223 O LYS A 14 6.469 -5.152 -17.911 1.00 64.40 O ATOM 224 CB LYS A 14 9.518 -5.180 -17.163 1.00 1.55 C ATOM 225 CG LYS A 14 10.914 -4.622 -17.382 1.00 31.21 C ATOM 226 CD LYS A 14 11.759 -4.722 -16.123 1.00 34.43 C ATOM 227 CE LYS A 14 12.811 -3.625 -16.069 1.00 33.33 C ATOM 228 NZ LYS A 14 13.959 -4.001 -15.199 1.00 5.14 N ATOM 0 H LYS A 14 9.635 -3.387 -15.465 1.00 11.41 H new ATOM 0 HA LYS A 14 8.452 -3.475 -17.926 1.00 73.44 H new ATOM 0 HB2 LYS A 14 9.518 -5.792 -16.261 1.00 1.55 H new ATOM 0 HB3 LYS A 14 9.264 -5.837 -17.995 1.00 1.55 H new ATOM 0 HG2 LYS A 14 11.401 -5.165 -18.192 1.00 31.21 H new ATOM 0 HG3 LYS A 14 10.845 -3.580 -17.693 1.00 31.21 H new ATOM 0 HD2 LYS A 14 11.116 -4.654 -15.246 1.00 34.43 H new ATOM 0 HD3 LYS A 14 12.246 -5.697 -16.087 1.00 34.43 H new ATOM 0 HE2 LYS A 14 13.171 -3.417 -17.077 1.00 33.33 H new ATOM 0 HE3 LYS A 14 12.359 -2.706 -15.697 1.00 33.33 H new ATOM 0 HZ1 LYS A 14 14.654 -3.228 -15.188 1.00 5.14 H new ATOM 0 HZ2 LYS A 14 13.619 -4.175 -14.232 1.00 5.14 H new ATOM 0 HZ3 LYS A 14 14.407 -4.864 -15.569 1.00 5.14 H new ATOM 242 N GLY A 15 6.569 -4.851 -15.684 1.00 22.02 N ATOM 243 CA GLY A 15 5.268 -5.452 -15.456 1.00 62.55 C ATOM 244 C GLY A 15 4.264 -5.087 -16.532 1.00 4.43 C ATOM 245 O GLY A 15 3.408 -5.893 -16.892 1.00 21.13 O ATOM 0 H GLY A 15 7.044 -4.526 -14.842 1.00 22.02 H new ATOM 0 HA2 GLY A 15 5.374 -6.536 -15.415 1.00 62.55 H new ATOM 0 HA3 GLY A 15 4.888 -5.132 -14.486 1.00 62.55 H new ATOM 249 N GLY A 16 4.369 -3.865 -17.045 1.00 55.54 N ATOM 250 CA GLY A 16 3.455 -3.414 -18.079 1.00 61.23 C ATOM 251 C GLY A 16 3.652 -4.152 -19.389 1.00 20.34 C ATOM 252 O GLY A 16 4.778 -4.476 -19.763 1.00 61.24 O ATOM 0 H GLY A 16 5.070 -3.180 -16.764 1.00 55.54 H new ATOM 0 HA2 GLY A 16 2.429 -3.552 -17.738 1.00 61.23 H new ATOM 0 HA3 GLY A 16 3.595 -2.346 -18.243 1.00 61.23 H new TER 256 GLY A 16 ATOM 257 N VAL B 1 10.200 -3.173 -28.133 1.00 13.15 N ATOM 258 CA VAL B 1 9.920 -2.224 -27.062 1.00 13.41 C ATOM 259 C VAL B 1 8.871 -1.204 -27.492 1.00 31.12 C ATOM 260 O VAL B 1 8.810 -0.815 -28.658 1.00 31.22 O ATOM 261 CB VAL B 1 11.195 -1.479 -26.625 1.00 10.34 C ATOM 262 CG1 VAL B 1 10.877 -0.472 -25.530 1.00 15.31 C ATOM 263 CG2 VAL B 1 12.255 -2.466 -26.161 1.00 4.35 C ATOM 0 H1 VAL B 1 10.696 -4.000 -27.743 1.00 13.15 H new ATOM 0 H2 VAL B 1 9.306 -3.479 -28.568 1.00 13.15 H new ATOM 0 H3 VAL B 1 10.798 -2.718 -28.852 1.00 13.15 H new ATOM 0 HA VAL B 1 9.538 -2.801 -26.220 1.00 13.41 H new ATOM 0 HB VAL B 1 11.589 -0.934 -27.483 1.00 10.34 H new ATOM 0 HG11 VAL B 1 11.790 0.044 -25.234 1.00 15.31 H new ATOM 0 HG12 VAL B 1 10.154 0.254 -25.902 1.00 15.31 H new ATOM 0 HG13 VAL B 1 10.459 -0.992 -24.668 1.00 15.31 H new ATOM 0 HG21 VAL B 1 13.149 -1.923 -25.856 1.00 4.35 H new ATOM 0 HG22 VAL B 1 11.873 -3.040 -25.317 1.00 4.35 H new ATOM 0 HG23 VAL B 1 12.503 -3.144 -26.978 1.00 4.35 H new ATOM 273 N ALA B 2 8.047 -0.774 -26.542 1.00 30.53 N ATOM 274 CA ALA B 2 7.002 0.202 -26.821 1.00 53.23 C ATOM 275 C ALA B 2 7.590 1.596 -27.012 1.00 13.32 C ATOM 276 O ALA B 2 7.574 2.141 -28.116 1.00 2.34 O ATOM 277 CB ALA B 2 5.973 0.210 -25.700 1.00 70.23 C ATOM 0 H ALA B 2 8.083 -1.087 -25.572 1.00 30.53 H new ATOM 0 HA ALA B 2 6.509 -0.086 -27.749 1.00 53.23 H new ATOM 0 HB1 ALA B 2 5.198 0.944 -25.922 1.00 70.23 H new ATOM 0 HB2 ALA B 2 5.522 -0.778 -25.613 1.00 70.23 H new ATOM 0 HB3 ALA B 2 6.461 0.470 -24.760 1.00 70.23 H new ATOM 283 N ARG B 3 8.107 2.168 -25.929 1.00 52.33 N ATOM 284 CA ARG B 3 8.698 3.500 -25.977 1.00 41.05 C ATOM 285 C ARG B 3 10.166 3.458 -25.563 1.00 40.42 C ATOM 286 O ARG B 3 10.972 2.750 -26.165 1.00 52.13 O ATOM 287 CB ARG B 3 7.927 4.457 -25.066 1.00 71.15 C ATOM 288 CG ARG B 3 6.453 4.577 -25.418 1.00 0.31 C ATOM 289 CD ARG B 3 5.643 5.113 -24.247 1.00 63.15 C ATOM 290 NE ARG B 3 4.892 6.313 -24.605 1.00 72.04 N ATOM 291 CZ ARG B 3 3.925 6.826 -23.853 1.00 52.21 C ATOM 292 NH1 ARG B 3 3.594 6.247 -22.707 1.00 51.31 N ATOM 293 NH2 ARG B 3 3.287 7.921 -24.247 1.00 11.25 N ATOM 0 H ARG B 3 8.128 1.730 -25.008 1.00 52.33 H new ATOM 0 HA ARG B 3 8.638 3.860 -27.004 1.00 41.05 H new ATOM 0 HB2 ARG B 3 8.019 4.117 -24.035 1.00 71.15 H new ATOM 0 HB3 ARG B 3 8.386 5.444 -25.118 1.00 71.15 H new ATOM 0 HG2 ARG B 3 6.335 5.238 -26.276 1.00 0.31 H new ATOM 0 HG3 ARG B 3 6.067 3.601 -25.712 1.00 0.31 H new ATOM 0 HD2 ARG B 3 4.953 4.343 -23.901 1.00 63.15 H new ATOM 0 HD3 ARG B 3 6.312 5.338 -23.416 1.00 63.15 H new ATOM 0 HE ARG B 3 5.123 6.783 -25.480 1.00 72.04 H new ATOM 0 HH11 ARG B 3 4.082 5.405 -22.401 1.00 51.31 H new ATOM 0 HH12 ARG B 3 2.851 6.643 -22.131 1.00 51.31 H new ATOM 0 HH21 ARG B 3 3.539 8.369 -25.128 1.00 11.25 H new ATOM 0 HH22 ARG B 3 2.544 8.314 -23.669 1.00 11.25 H new ATOM 307 N GLY B 4 10.506 4.224 -24.530 1.00 62.33 N ATOM 308 CA GLY B 4 11.876 4.260 -24.054 1.00 5.23 C ATOM 309 C GLY B 4 11.974 4.070 -22.553 1.00 14.00 C ATOM 310 O GLY B 4 12.081 5.041 -21.803 1.00 71.45 O ATOM 0 H GLY B 4 9.857 4.819 -24.015 1.00 62.33 H new ATOM 0 HA2 GLY B 4 12.452 3.481 -24.554 1.00 5.23 H new ATOM 0 HA3 GLY B 4 12.327 5.214 -24.326 1.00 5.23 H new ATOM 314 N TRP B 5 11.934 2.817 -22.113 1.00 42.55 N ATOM 315 CA TRP B 5 12.017 2.504 -20.691 1.00 72.35 C ATOM 316 C TRP B 5 13.236 3.164 -20.058 1.00 42.42 C ATOM 317 O TRP B 5 14.354 2.659 -20.164 1.00 31.03 O ATOM 318 CB TRP B 5 12.077 0.989 -20.485 1.00 40.30 C ATOM 319 CG TRP B 5 11.129 0.232 -21.364 1.00 73.23 C ATOM 320 CD1 TRP B 5 11.350 -0.978 -21.957 1.00 60.44 C ATOM 321 CD2 TRP B 5 9.811 0.635 -21.751 1.00 15.21 C ATOM 322 NE1 TRP B 5 10.249 -1.352 -22.689 1.00 53.54 N ATOM 323 CE2 TRP B 5 9.290 -0.379 -22.578 1.00 62.32 C ATOM 324 CE3 TRP B 5 9.018 1.753 -21.477 1.00 43.30 C ATOM 325 CZ2 TRP B 5 8.015 -0.306 -23.133 1.00 45.13 C ATOM 326 CZ3 TRP B 5 7.753 1.825 -22.029 1.00 24.41 C ATOM 327 CH2 TRP B 5 7.262 0.800 -22.849 1.00 14.14 C ATOM 0 H TRP B 5 11.845 2.002 -22.720 1.00 42.55 H new ATOM 0 HA TRP B 5 11.123 2.895 -20.205 1.00 72.35 H new ATOM 0 HB2 TRP B 5 13.093 0.644 -20.676 1.00 40.30 H new ATOM 0 HB3 TRP B 5 11.854 0.762 -19.442 1.00 40.30 H new ATOM 0 HD1 TRP B 5 12.257 -1.556 -21.864 1.00 60.44 H new ATOM 0 HE1 TRP B 5 10.160 -2.214 -23.227 1.00 53.54 H new ATOM 0 HE3 TRP B 5 9.387 2.547 -20.845 1.00 43.30 H new ATOM 0 HZ2 TRP B 5 7.634 -1.095 -23.765 1.00 45.13 H new ATOM 0 HZ3 TRP B 5 7.133 2.685 -21.825 1.00 24.41 H new ATOM 0 HH2 TRP B 5 6.269 0.885 -23.265 1.00 14.14 H new ATOM 338 N LYS B 6 13.015 4.297 -19.400 1.00 11.04 N ATOM 339 CA LYS B 6 14.095 5.027 -18.747 1.00 45.04 C ATOM 340 C LYS B 6 13.835 5.162 -17.251 1.00 13.44 C ATOM 341 O LYS B 6 13.713 4.165 -16.540 1.00 23.25 O ATOM 342 CB LYS B 6 14.254 6.413 -19.376 1.00 10.54 C ATOM 343 CG LYS B 6 14.567 6.376 -20.861 1.00 61.24 C ATOM 344 CD LYS B 6 13.764 7.414 -21.627 1.00 72.41 C ATOM 345 CE LYS B 6 14.474 8.758 -21.656 1.00 2.32 C ATOM 346 NZ LYS B 6 14.090 9.613 -20.499 1.00 13.42 N ATOM 0 H LYS B 6 12.096 4.730 -19.305 1.00 11.04 H new ATOM 0 HA LYS B 6 15.017 4.463 -18.887 1.00 45.04 H new ATOM 0 HB2 LYS B 6 13.336 6.980 -19.221 1.00 10.54 H new ATOM 0 HB3 LYS B 6 15.051 6.948 -18.859 1.00 10.54 H new ATOM 0 HG2 LYS B 6 15.632 6.553 -21.014 1.00 61.24 H new ATOM 0 HG3 LYS B 6 14.349 5.383 -21.255 1.00 61.24 H new ATOM 0 HD2 LYS B 6 13.598 7.067 -22.647 1.00 72.41 H new ATOM 0 HD3 LYS B 6 12.783 7.529 -21.166 1.00 72.41 H new ATOM 0 HE2 LYS B 6 15.552 8.599 -21.648 1.00 2.32 H new ATOM 0 HE3 LYS B 6 14.235 9.275 -22.585 1.00 2.32 H new ATOM 0 HZ1 LYS B 6 14.595 10.520 -20.555 1.00 13.42 H new ATOM 0 HZ2 LYS B 6 13.065 9.786 -20.520 1.00 13.42 H new ATOM 0 HZ3 LYS B 6 14.342 9.131 -19.612 1.00 13.42 H new ATOM 360 N ARG B 7 13.748 6.402 -16.779 1.00 44.03 N ATOM 361 CA ARG B 7 13.502 6.667 -15.367 1.00 55.01 C ATOM 362 C ARG B 7 12.010 6.593 -15.053 1.00 2.24 C ATOM 363 O ARG B 7 11.513 5.568 -14.585 1.00 51.34 O ATOM 364 CB ARG B 7 14.047 8.043 -14.981 1.00 44.15 C ATOM 365 CG ARG B 7 15.532 8.040 -14.653 1.00 75.55 C ATOM 366 CD ARG B 7 16.253 9.198 -15.324 1.00 10.32 C ATOM 367 NE ARG B 7 17.437 9.612 -14.576 1.00 10.23 N ATOM 368 CZ ARG B 7 18.312 10.507 -15.021 1.00 13.43 C ATOM 369 NH1 ARG B 7 18.136 11.080 -16.204 1.00 31.33 N ATOM 370 NH2 ARG B 7 19.365 10.832 -14.282 1.00 12.14 N ATOM 0 H ARG B 7 13.844 7.239 -17.354 1.00 44.03 H new ATOM 0 HA ARG B 7 14.018 5.904 -14.785 1.00 55.01 H new ATOM 0 HB2 ARG B 7 13.866 8.739 -15.800 1.00 44.15 H new ATOM 0 HB3 ARG B 7 13.494 8.415 -14.119 1.00 44.15 H new ATOM 0 HG2 ARG B 7 15.667 8.102 -13.573 1.00 75.55 H new ATOM 0 HG3 ARG B 7 15.975 7.098 -14.976 1.00 75.55 H new ATOM 0 HD2 ARG B 7 16.545 8.907 -16.333 1.00 10.32 H new ATOM 0 HD3 ARG B 7 15.571 10.043 -15.420 1.00 10.32 H new ATOM 0 HE ARG B 7 17.601 9.191 -13.662 1.00 10.23 H new ATOM 0 HH11 ARG B 7 17.327 10.834 -16.775 1.00 31.33 H new ATOM 0 HH12 ARG B 7 18.809 11.767 -16.543 1.00 31.33 H new ATOM 0 HH21 ARG B 7 19.503 10.394 -13.371 1.00 12.14 H new ATOM 0 HH22 ARG B 7 20.036 11.519 -14.625 1.00 12.14 H new ATOM 384 N LYS B 8 11.301 7.687 -15.312 1.00 24.24 N ATOM 385 CA LYS B 8 9.867 7.747 -15.058 1.00 11.45 C ATOM 386 C LYS B 8 9.111 6.793 -15.976 1.00 31.41 C ATOM 387 O LYS B 8 8.504 7.213 -16.962 1.00 24.03 O ATOM 388 CB LYS B 8 9.353 9.175 -15.255 1.00 1.44 C ATOM 389 CG LYS B 8 10.125 10.215 -14.460 1.00 61.42 C ATOM 390 CD LYS B 8 9.391 10.601 -13.187 1.00 4.30 C ATOM 391 CE LYS B 8 8.418 11.744 -13.430 1.00 53.30 C ATOM 392 NZ LYS B 8 7.004 11.321 -13.230 1.00 62.20 N ATOM 0 H LYS B 8 11.697 8.544 -15.698 1.00 24.24 H new ATOM 0 HA LYS B 8 9.693 7.443 -14.026 1.00 11.45 H new ATOM 0 HB2 LYS B 8 9.404 9.428 -16.314 1.00 1.44 H new ATOM 0 HB3 LYS B 8 8.302 9.217 -14.968 1.00 1.44 H new ATOM 0 HG2 LYS B 8 11.111 9.824 -14.208 1.00 61.42 H new ATOM 0 HG3 LYS B 8 10.281 11.102 -15.074 1.00 61.42 H new ATOM 0 HD2 LYS B 8 8.850 9.737 -12.801 1.00 4.30 H new ATOM 0 HD3 LYS B 8 10.113 10.892 -12.424 1.00 4.30 H new ATOM 0 HE2 LYS B 8 8.650 12.568 -12.755 1.00 53.30 H new ATOM 0 HE3 LYS B 8 8.545 12.119 -14.446 1.00 53.30 H new ATOM 0 HZ1 LYS B 8 6.372 12.128 -13.405 1.00 62.20 H new ATOM 0 HZ2 LYS B 8 6.775 10.552 -13.892 1.00 62.20 H new ATOM 0 HZ3 LYS B 8 6.876 10.987 -12.253 1.00 62.20 H new ATOM 406 N CYS B 9 9.150 5.506 -15.646 1.00 10.13 N ATOM 407 CA CYS B 9 8.468 4.491 -16.440 1.00 0.23 C ATOM 408 C CYS B 9 7.111 4.998 -16.920 1.00 60.51 C ATOM 409 O CYS B 9 6.132 5.026 -16.175 1.00 34.34 O ATOM 410 CB CYS B 9 8.287 3.211 -15.622 1.00 73.10 C ATOM 411 SG CYS B 9 7.916 3.499 -13.862 1.00 32.01 S ATOM 0 H CYS B 9 9.647 5.141 -14.833 1.00 10.13 H new ATOM 0 HA CYS B 9 9.084 4.272 -17.312 1.00 0.23 H new ATOM 0 HB2 CYS B 9 7.481 2.623 -16.061 1.00 73.10 H new ATOM 0 HB3 CYS B 9 9.195 2.613 -15.698 1.00 73.10 H new ATOM 0 HG CYS B 9 9.027 3.606 -13.196 1.00 32.01 H new ATOM 416 N PRO B 10 7.050 5.407 -18.196 1.00 3.32 N ATOM 417 CA PRO B 10 5.819 5.919 -18.805 1.00 43.21 C ATOM 418 C PRO B 10 4.773 4.828 -19.003 1.00 62.43 C ATOM 419 O PRO B 10 3.623 4.973 -18.588 1.00 54.44 O ATOM 420 CB PRO B 10 6.291 6.460 -20.157 1.00 71.23 C ATOM 421 CG PRO B 10 7.524 5.684 -20.466 1.00 65.41 C ATOM 422 CD PRO B 10 8.179 5.402 -19.142 1.00 32.21 C ATOM 0 HA PRO B 10 5.334 6.666 -18.177 1.00 43.21 H new ATOM 0 HB2 PRO B 10 5.532 6.320 -20.926 1.00 71.23 H new ATOM 0 HB3 PRO B 10 6.499 7.529 -20.105 1.00 71.23 H new ATOM 0 HG2 PRO B 10 7.282 4.758 -20.987 1.00 65.41 H new ATOM 0 HG3 PRO B 10 8.189 6.251 -21.117 1.00 65.41 H new ATOM 0 HD2 PRO B 10 8.696 4.443 -19.146 1.00 32.21 H new ATOM 0 HD3 PRO B 10 8.919 6.162 -18.889 1.00 32.21 H new ATOM 430 N LEU B 11 5.179 3.734 -19.639 1.00 42.21 N ATOM 431 CA LEU B 11 4.276 2.617 -19.892 1.00 24.50 C ATOM 432 C LEU B 11 4.503 1.495 -18.884 1.00 21.43 C ATOM 433 O LEU B 11 3.641 1.209 -18.052 1.00 50.43 O ATOM 434 CB LEU B 11 4.474 2.088 -21.314 1.00 34.43 C ATOM 435 CG LEU B 11 3.324 1.258 -21.887 1.00 12.51 C ATOM 436 CD1 LEU B 11 3.229 -0.084 -21.179 1.00 64.33 C ATOM 437 CD2 LEU B 11 2.010 2.018 -21.772 1.00 31.40 C ATOM 0 H LEU B 11 6.127 3.597 -19.989 1.00 42.21 H new ATOM 0 HA LEU B 11 3.253 2.977 -19.784 1.00 24.50 H new ATOM 0 HB2 LEU B 11 4.648 2.937 -21.975 1.00 34.43 H new ATOM 0 HB3 LEU B 11 5.379 1.480 -21.332 1.00 34.43 H new ATOM 0 HG LEU B 11 3.524 1.075 -22.943 1.00 12.51 H new ATOM 0 HD11 LEU B 11 2.405 -0.660 -21.600 1.00 64.33 H new ATOM 0 HD12 LEU B 11 4.161 -0.633 -21.313 1.00 64.33 H new ATOM 0 HD13 LEU B 11 3.052 0.077 -20.116 1.00 64.33 H new ATOM 0 HD21 LEU B 11 1.202 1.413 -22.184 1.00 31.40 H new ATOM 0 HD22 LEU B 11 1.804 2.232 -20.723 1.00 31.40 H new ATOM 0 HD23 LEU B 11 2.081 2.954 -22.326 1.00 31.40 H new ATOM 449 N PHE B 12 5.669 0.863 -18.962 1.00 24.51 N ATOM 450 CA PHE B 12 6.010 -0.228 -18.055 1.00 45.44 C ATOM 451 C PHE B 12 6.087 0.267 -16.614 1.00 51.31 C ATOM 452 O PHE B 12 7.173 0.445 -16.064 1.00 12.11 O ATOM 453 CB PHE B 12 7.344 -0.858 -18.461 1.00 61.43 C ATOM 454 CG PHE B 12 8.539 -0.030 -18.084 1.00 14.22 C ATOM 455 CD1 PHE B 12 8.651 1.283 -18.512 1.00 51.13 C ATOM 456 CD2 PHE B 12 9.549 -0.564 -17.300 1.00 51.51 C ATOM 457 CE1 PHE B 12 9.749 2.047 -18.167 1.00 45.30 C ATOM 458 CE2 PHE B 12 10.650 0.196 -16.951 1.00 53.13 C ATOM 459 CZ PHE B 12 10.749 1.504 -17.385 1.00 25.35 C ATOM 0 H PHE B 12 6.394 1.087 -19.644 1.00 24.51 H new ATOM 0 HA PHE B 12 5.225 -0.981 -18.121 1.00 45.44 H new ATOM 0 HB2 PHE B 12 7.430 -1.839 -17.994 1.00 61.43 H new ATOM 0 HB3 PHE B 12 7.348 -1.017 -19.539 1.00 61.43 H new ATOM 0 HD1 PHE B 12 7.871 1.714 -19.122 1.00 51.13 H new ATOM 0 HD2 PHE B 12 9.475 -1.586 -16.958 1.00 51.51 H new ATOM 0 HE1 PHE B 12 9.825 3.069 -18.509 1.00 45.30 H new ATOM 0 HE2 PHE B 12 11.431 -0.232 -16.340 1.00 53.13 H new ATOM 0 HZ PHE B 12 11.607 2.101 -17.113 1.00 25.35 H new ATOM 469 N GLY B 13 4.924 0.489 -16.008 1.00 62.31 N ATOM 470 CA GLY B 13 4.881 0.962 -14.637 1.00 34.32 C ATOM 471 C GLY B 13 4.011 0.092 -13.751 1.00 23.33 C ATOM 472 O GLY B 13 4.394 -1.023 -13.395 1.00 35.21 O ATOM 0 H GLY B 13 4.012 0.350 -16.442 1.00 62.31 H new ATOM 0 HA2 GLY B 13 5.893 0.989 -14.233 1.00 34.32 H new ATOM 0 HA3 GLY B 13 4.504 1.984 -14.620 1.00 34.32 H new ATOM 476 N LYS B 14 2.838 0.602 -13.391 1.00 62.24 N ATOM 477 CA LYS B 14 1.911 -0.135 -12.541 1.00 22.13 C ATOM 478 C LYS B 14 1.744 -1.569 -13.033 1.00 31.12 C ATOM 479 O LYS B 14 1.377 -2.459 -12.267 1.00 73.53 O ATOM 480 CB LYS B 14 0.551 0.566 -12.507 1.00 21.43 C ATOM 481 CG LYS B 14 0.619 2.002 -12.016 1.00 73.43 C ATOM 482 CD LYS B 14 0.295 2.986 -13.128 1.00 5.24 C ATOM 483 CE LYS B 14 1.189 4.215 -13.060 1.00 54.52 C ATOM 484 NZ LYS B 14 1.271 4.914 -14.373 1.00 21.30 N ATOM 0 H LYS B 14 2.507 1.524 -13.675 1.00 62.24 H new ATOM 0 HA LYS B 14 2.324 -0.162 -11.533 1.00 22.13 H new ATOM 0 HB2 LYS B 14 0.120 0.553 -13.508 1.00 21.43 H new ATOM 0 HB3 LYS B 14 -0.123 0.002 -11.862 1.00 21.43 H new ATOM 0 HG2 LYS B 14 -0.081 2.139 -11.192 1.00 73.43 H new ATOM 0 HG3 LYS B 14 1.616 2.208 -11.626 1.00 73.43 H new ATOM 0 HD2 LYS B 14 0.418 2.498 -14.095 1.00 5.24 H new ATOM 0 HD3 LYS B 14 -0.749 3.289 -13.054 1.00 5.24 H new ATOM 0 HE2 LYS B 14 0.805 4.902 -12.306 1.00 54.52 H new ATOM 0 HE3 LYS B 14 2.189 3.920 -12.743 1.00 54.52 H new ATOM 0 HZ1 LYS B 14 1.889 5.746 -14.285 1.00 21.30 H new ATOM 0 HZ2 LYS B 14 1.661 4.266 -15.087 1.00 21.30 H new ATOM 0 HZ3 LYS B 14 0.320 5.218 -14.664 1.00 21.30 H new ATOM 498 N GLY B 15 2.017 -1.786 -14.316 1.00 3.31 N ATOM 499 CA GLY B 15 1.892 -3.114 -14.887 1.00 43.11 C ATOM 500 C GLY B 15 2.391 -4.197 -13.951 1.00 43.21 C ATOM 501 O GLY B 15 1.882 -5.317 -13.959 1.00 10.45 O ATOM 0 H GLY B 15 2.323 -1.065 -14.970 1.00 3.31 H new ATOM 0 HA2 GLY B 15 0.847 -3.304 -15.133 1.00 43.11 H new ATOM 0 HA3 GLY B 15 2.452 -3.159 -15.821 1.00 43.11 H new ATOM 505 N GLY B 16 3.393 -3.863 -13.143 1.00 21.21 N ATOM 506 CA GLY B 16 3.946 -4.827 -12.210 1.00 33.25 C ATOM 507 C GLY B 16 2.975 -5.183 -11.101 1.00 3.23 C ATOM 508 O GLY B 16 1.887 -5.695 -11.360 1.00 74.03 O ATOM 0 H GLY B 16 3.831 -2.942 -13.118 1.00 21.21 H new ATOM 0 HA2 GLY B 16 4.224 -5.732 -12.750 1.00 33.25 H new ATOM 0 HA3 GLY B 16 4.859 -4.423 -11.773 1.00 33.25 H new TER 512 GLY B 16