USER MOD reduce.3.24.130724 H: found=0, std=0, add=156, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 154 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+ 178:sc= -0.476 (180deg=-0.514) 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+ 163:sc= -0.0372 (180deg=-0.289) USER MOD Single : A 15 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.91) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -150:sc= -1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.426 0.962 -0.895 1.00 53.34 N ATOM 2 CA VAL A 1 1.674 0.279 -1.212 1.00 23.13 C ATOM 3 C VAL A 1 2.818 1.273 -1.378 1.00 0.11 C ATOM 4 O VAL A 1 2.679 2.286 -2.063 1.00 30.11 O ATOM 5 CB VAL A 1 1.546 -0.559 -2.498 1.00 15.50 C ATOM 6 CG1 VAL A 1 0.570 -1.707 -2.292 1.00 21.40 C ATOM 7 CG2 VAL A 1 1.111 0.318 -3.663 1.00 1.22 C ATOM 0 H1 VAL A 1 -0.342 0.265 -0.821 1.00 53.34 H new ATOM 0 H2 VAL A 1 0.526 1.465 0.010 1.00 53.34 H new ATOM 0 H3 VAL A 1 0.203 1.644 -1.648 1.00 53.34 H new ATOM 0 HA VAL A 1 1.892 -0.385 -0.375 1.00 23.13 H new ATOM 0 HB VAL A 1 2.522 -0.982 -2.735 1.00 15.50 H new ATOM 0 HG11 VAL A 1 0.492 -2.288 -3.211 1.00 21.40 H new ATOM 0 HG12 VAL A 1 0.927 -2.348 -1.486 1.00 21.40 H new ATOM 0 HG13 VAL A 1 -0.410 -1.309 -2.031 1.00 21.40 H new ATOM 0 HG21 VAL A 1 1.025 -0.290 -4.564 1.00 1.22 H new ATOM 0 HG22 VAL A 1 0.145 0.770 -3.437 1.00 1.22 H new ATOM 0 HG23 VAL A 1 1.850 1.103 -3.824 1.00 1.22 H new ATOM 17 N ALA A 2 3.949 0.976 -0.747 1.00 3.13 N ATOM 18 CA ALA A 2 5.119 1.842 -0.827 1.00 13.43 C ATOM 19 C ALA A 2 6.313 1.100 -1.416 1.00 71.32 C ATOM 20 O ALA A 2 7.105 1.673 -2.164 1.00 2.22 O ATOM 21 CB ALA A 2 5.464 2.392 0.550 1.00 74.14 C ATOM 0 H ALA A 2 4.080 0.142 -0.175 1.00 3.13 H new ATOM 0 HA ALA A 2 4.879 2.674 -1.489 1.00 13.43 H new ATOM 0 HB1 ALA A 2 6.340 3.037 0.475 1.00 74.14 H new ATOM 0 HB2 ALA A 2 4.621 2.967 0.934 1.00 74.14 H new ATOM 0 HB3 ALA A 2 5.678 1.566 1.228 1.00 74.14 H new ATOM 27 N ARG A 3 6.436 -0.179 -1.074 1.00 42.34 N ATOM 28 CA ARG A 3 7.535 -0.999 -1.569 1.00 24.13 C ATOM 29 C ARG A 3 7.632 -0.920 -3.090 1.00 12.35 C ATOM 30 O ARG A 3 8.712 -1.060 -3.661 1.00 40.34 O ATOM 31 CB ARG A 3 7.349 -2.454 -1.134 1.00 65.01 C ATOM 32 CG ARG A 3 5.942 -2.982 -1.360 1.00 22.02 C ATOM 33 CD ARG A 3 5.959 -4.323 -2.076 1.00 34.52 C ATOM 34 NE ARG A 3 5.904 -5.444 -1.141 1.00 13.25 N ATOM 35 CZ ARG A 3 6.148 -6.703 -1.487 1.00 1.23 C ATOM 36 NH1 ARG A 3 6.463 -7.000 -2.740 1.00 20.01 N ATOM 37 NH2 ARG A 3 6.078 -7.667 -0.578 1.00 63.43 N ATOM 0 H ARG A 3 5.789 -0.669 -0.457 1.00 42.34 H new ATOM 0 HA ARG A 3 8.462 -0.615 -1.143 1.00 24.13 H new ATOM 0 HB2 ARG A 3 8.055 -3.080 -1.679 1.00 65.01 H new ATOM 0 HB3 ARG A 3 7.596 -2.542 -0.076 1.00 65.01 H new ATOM 0 HG2 ARG A 3 5.433 -3.086 -0.402 1.00 22.02 H new ATOM 0 HG3 ARG A 3 5.372 -2.262 -1.947 1.00 22.02 H new ATOM 0 HD2 ARG A 3 5.112 -4.380 -2.760 1.00 34.52 H new ATOM 0 HD3 ARG A 3 6.863 -4.400 -2.681 1.00 34.52 H new ATOM 0 HE ARG A 3 5.665 -5.249 -0.169 1.00 13.25 H new ATOM 0 HH11 ARG A 3 6.518 -6.261 -3.441 1.00 20.01 H new ATOM 0 HH12 ARG A 3 6.650 -7.968 -3.003 1.00 20.01 H new ATOM 0 HH21 ARG A 3 5.837 -7.441 0.387 1.00 63.43 H new ATOM 0 HH22 ARG A 3 6.265 -8.634 -0.844 1.00 63.43 H new ATOM 51 N GLY A 4 6.494 -0.695 -3.739 1.00 15.52 N ATOM 52 CA GLY A 4 6.471 -0.601 -5.187 1.00 24.21 C ATOM 53 C GLY A 4 6.059 0.774 -5.673 1.00 34.10 C ATOM 54 O GLY A 4 5.798 0.967 -6.860 1.00 52.24 O ATOM 0 H GLY A 4 5.587 -0.576 -3.288 1.00 15.52 H new ATOM 0 HA2 GLY A 4 7.459 -0.840 -5.579 1.00 24.21 H new ATOM 0 HA3 GLY A 4 5.781 -1.345 -5.585 1.00 24.21 H new ATOM 58 N TRP A 5 5.998 1.731 -4.754 1.00 34.41 N ATOM 59 CA TRP A 5 5.611 3.095 -5.096 1.00 24.14 C ATOM 60 C TRP A 5 6.757 4.067 -4.834 1.00 32.41 C ATOM 61 O TRP A 5 6.805 5.153 -5.409 1.00 3.11 O ATOM 62 CB TRP A 5 4.378 3.514 -4.294 1.00 72.41 C ATOM 63 CG TRP A 5 3.472 4.445 -5.041 1.00 74.55 C ATOM 64 CD1 TRP A 5 2.386 4.102 -5.796 1.00 65.44 C ATOM 65 CD2 TRP A 5 3.574 5.871 -5.107 1.00 13.11 C ATOM 66 NE1 TRP A 5 1.808 5.229 -6.327 1.00 52.23 N ATOM 67 CE2 TRP A 5 2.517 6.328 -5.918 1.00 73.45 C ATOM 68 CE3 TRP A 5 4.454 6.807 -4.557 1.00 54.43 C ATOM 69 CZ2 TRP A 5 2.319 7.678 -6.193 1.00 2.20 C ATOM 70 CZ3 TRP A 5 4.256 8.147 -4.831 1.00 4.40 C ATOM 71 CH2 TRP A 5 3.196 8.573 -5.642 1.00 31.10 C ATOM 0 H TRP A 5 6.211 1.588 -3.767 1.00 34.41 H new ATOM 0 HA TRP A 5 5.371 3.122 -6.159 1.00 24.14 H new ATOM 0 HB2 TRP A 5 3.818 2.623 -4.010 1.00 72.41 H new ATOM 0 HB3 TRP A 5 4.700 3.995 -3.371 1.00 72.41 H new ATOM 0 HD1 TRP A 5 2.034 3.093 -5.952 1.00 65.44 H new ATOM 0 HE1 TRP A 5 0.984 5.245 -6.928 1.00 52.23 H new ATOM 0 HE3 TRP A 5 5.274 6.489 -3.930 1.00 54.43 H new ATOM 0 HZ2 TRP A 5 1.503 8.008 -6.819 1.00 2.20 H new ATOM 0 HZ3 TRP A 5 4.931 8.879 -4.412 1.00 4.40 H new ATOM 0 HH2 TRP A 5 3.068 9.628 -5.836 1.00 31.10 H new ATOM 82 N GLY A 6 7.678 3.668 -3.962 1.00 62.00 N ATOM 83 CA GLY A 6 8.811 4.516 -3.640 1.00 40.01 C ATOM 84 C GLY A 6 9.939 4.383 -4.644 1.00 54.13 C ATOM 85 O GLY A 6 10.762 5.288 -4.787 1.00 34.42 O ATOM 0 H GLY A 6 7.660 2.773 -3.473 1.00 62.00 H new ATOM 0 HA2 GLY A 6 8.484 5.555 -3.601 1.00 40.01 H new ATOM 0 HA3 GLY A 6 9.181 4.261 -2.647 1.00 40.01 H new ATOM 89 N ARG A 7 9.978 3.252 -5.341 1.00 41.21 N ATOM 90 CA ARG A 7 11.015 3.003 -6.335 1.00 62.00 C ATOM 91 C ARG A 7 10.678 3.687 -7.656 1.00 54.44 C ATOM 92 O ARG A 7 11.566 4.020 -8.441 1.00 24.01 O ATOM 93 CB ARG A 7 11.188 1.499 -6.557 1.00 1.31 C ATOM 94 CG ARG A 7 12.068 1.157 -7.748 1.00 24.54 C ATOM 95 CD ARG A 7 12.997 -0.007 -7.437 1.00 74.44 C ATOM 96 NE ARG A 7 12.956 -1.032 -8.477 1.00 41.14 N ATOM 97 CZ ARG A 7 13.757 -2.092 -8.497 1.00 11.44 C ATOM 98 NH1 ARG A 7 14.655 -2.265 -7.537 1.00 63.31 N ATOM 99 NH2 ARG A 7 13.660 -2.981 -9.477 1.00 15.42 N ATOM 0 H ARG A 7 9.304 2.494 -5.236 1.00 41.21 H new ATOM 0 HA ARG A 7 11.950 3.418 -5.959 1.00 62.00 H new ATOM 0 HB2 ARG A 7 11.617 1.055 -5.659 1.00 1.31 H new ATOM 0 HB3 ARG A 7 10.207 1.046 -6.699 1.00 1.31 H new ATOM 0 HG2 ARG A 7 11.442 0.906 -8.604 1.00 24.54 H new ATOM 0 HG3 ARG A 7 12.658 2.030 -8.029 1.00 24.54 H new ATOM 0 HD2 ARG A 7 14.017 0.362 -7.331 1.00 74.44 H new ATOM 0 HD3 ARG A 7 12.717 -0.449 -6.481 1.00 74.44 H new ATOM 0 HE ARG A 7 12.275 -0.928 -9.229 1.00 41.14 H new ATOM 0 HH11 ARG A 7 14.732 -1.584 -6.782 1.00 63.31 H new ATOM 0 HH12 ARG A 7 15.269 -3.079 -7.554 1.00 63.31 H new ATOM 0 HH21 ARG A 7 12.970 -2.851 -10.217 1.00 15.42 H new ATOM 0 HH22 ARG A 7 14.276 -3.794 -9.491 1.00 15.42 H new ATOM 113 N LYS A 8 9.387 3.895 -7.897 1.00 24.44 N ATOM 114 CA LYS A 8 8.931 4.540 -9.122 1.00 33.21 C ATOM 115 C LYS A 8 8.828 6.050 -8.936 1.00 12.24 C ATOM 116 O LYS A 8 9.456 6.819 -9.664 1.00 43.12 O ATOM 117 CB LYS A 8 7.573 3.974 -9.545 1.00 64.23 C ATOM 118 CG LYS A 8 6.846 4.835 -10.564 1.00 24.31 C ATOM 119 CD LYS A 8 6.112 3.986 -11.589 1.00 3.24 C ATOM 120 CE LYS A 8 6.546 4.325 -13.006 1.00 65.25 C ATOM 121 NZ LYS A 8 5.406 4.273 -13.963 1.00 2.41 N ATOM 0 H LYS A 8 8.638 3.626 -7.259 1.00 24.44 H new ATOM 0 HA LYS A 8 9.663 4.337 -9.904 1.00 33.21 H new ATOM 0 HB2 LYS A 8 7.718 2.977 -9.961 1.00 64.23 H new ATOM 0 HB3 LYS A 8 6.944 3.862 -8.662 1.00 64.23 H new ATOM 0 HG2 LYS A 8 6.136 5.484 -10.052 1.00 24.31 H new ATOM 0 HG3 LYS A 8 7.561 5.482 -11.071 1.00 24.31 H new ATOM 0 HD2 LYS A 8 6.301 2.931 -11.392 1.00 3.24 H new ATOM 0 HD3 LYS A 8 5.038 4.141 -11.489 1.00 3.24 H new ATOM 0 HE2 LYS A 8 6.988 5.321 -13.022 1.00 65.25 H new ATOM 0 HE3 LYS A 8 7.320 3.627 -13.325 1.00 65.25 H new ATOM 0 HZ1 LYS A 8 5.743 4.510 -14.918 1.00 2.41 H new ATOM 0 HZ2 LYS A 8 5.000 3.316 -13.967 1.00 2.41 H new ATOM 0 HZ3 LYS A 8 4.678 4.957 -13.673 1.00 2.41 H new ATOM 135 N CYS A 9 8.034 6.468 -7.956 1.00 52.02 N ATOM 136 CA CYS A 9 7.850 7.887 -7.674 1.00 13.30 C ATOM 137 C CYS A 9 8.436 8.252 -6.314 1.00 63.21 C ATOM 138 O CYS A 9 7.718 8.463 -5.337 1.00 53.10 O ATOM 139 CB CYS A 9 6.364 8.248 -7.715 1.00 41.25 C ATOM 140 SG CYS A 9 5.743 8.628 -9.370 1.00 52.34 S ATOM 0 H CYS A 9 7.508 5.845 -7.344 1.00 52.02 H new ATOM 0 HA CYS A 9 8.376 8.455 -8.441 1.00 13.30 H new ATOM 0 HB2 CYS A 9 5.788 7.419 -7.304 1.00 41.25 H new ATOM 0 HB3 CYS A 9 6.192 9.108 -7.068 1.00 41.25 H new ATOM 0 HG CYS A 9 4.478 8.919 -9.303 1.00 52.34 H new ATOM 146 N PRO A 10 9.774 8.326 -6.247 1.00 52.11 N ATOM 147 CA PRO A 10 10.487 8.664 -5.012 1.00 30.23 C ATOM 148 C PRO A 10 10.288 10.121 -4.607 1.00 71.51 C ATOM 149 O PRO A 10 9.942 10.416 -3.463 1.00 33.15 O ATOM 150 CB PRO A 10 11.953 8.403 -5.366 1.00 21.22 C ATOM 151 CG PRO A 10 12.019 8.561 -6.846 1.00 23.43 C ATOM 152 CD PRO A 10 10.693 8.087 -7.372 1.00 70.34 C ATOM 0 HA PRO A 10 10.129 8.082 -4.163 1.00 30.23 H new ATOM 0 HB2 PRO A 10 12.614 9.109 -4.863 1.00 21.22 H new ATOM 0 HB3 PRO A 10 12.262 7.403 -5.060 1.00 21.22 H new ATOM 0 HG2 PRO A 10 12.198 9.601 -7.120 1.00 23.43 H new ATOM 0 HG3 PRO A 10 12.837 7.975 -7.265 1.00 23.43 H new ATOM 0 HD2 PRO A 10 10.392 8.641 -8.261 1.00 70.34 H new ATOM 0 HD3 PRO A 10 10.724 7.033 -7.649 1.00 70.34 H new ATOM 160 N LEU A 11 10.508 11.027 -5.552 1.00 41.54 N ATOM 161 CA LEU A 11 10.352 12.455 -5.294 1.00 62.24 C ATOM 162 C LEU A 11 8.913 12.785 -4.911 1.00 61.15 C ATOM 163 O LEU A 11 8.637 13.845 -4.350 1.00 54.44 O ATOM 164 CB LEU A 11 10.763 13.264 -6.526 1.00 74.42 C ATOM 165 CG LEU A 11 9.682 13.460 -7.590 1.00 43.44 C ATOM 166 CD1 LEU A 11 8.888 14.728 -7.317 1.00 31.15 C ATOM 167 CD2 LEU A 11 10.304 13.508 -8.979 1.00 34.33 C ATOM 0 H LEU A 11 10.795 10.799 -6.504 1.00 41.54 H new ATOM 0 HA LEU A 11 11.001 12.721 -4.459 1.00 62.24 H new ATOM 0 HB2 LEU A 11 11.102 14.246 -6.195 1.00 74.42 H new ATOM 0 HB3 LEU A 11 11.617 12.772 -6.991 1.00 74.42 H new ATOM 0 HG LEU A 11 8.999 12.611 -7.547 1.00 43.44 H new ATOM 0 HD11 LEU A 11 8.124 14.851 -8.084 1.00 31.15 H new ATOM 0 HD12 LEU A 11 8.412 14.656 -6.339 1.00 31.15 H new ATOM 0 HD13 LEU A 11 9.558 15.587 -7.332 1.00 31.15 H new ATOM 0 HD21 LEU A 11 9.521 13.648 -9.724 1.00 34.33 H new ATOM 0 HD22 LEU A 11 11.009 14.338 -9.034 1.00 34.33 H new ATOM 0 HD23 LEU A 11 10.828 12.573 -9.175 1.00 34.33 H new ATOM 179 N PHE A 12 8.000 11.869 -5.217 1.00 21.24 N ATOM 180 CA PHE A 12 6.589 12.062 -4.903 1.00 60.24 C ATOM 181 C PHE A 12 6.120 11.051 -3.860 1.00 43.45 C ATOM 182 O PHE A 12 4.940 10.999 -3.518 1.00 31.41 O ATOM 183 CB PHE A 12 5.741 11.934 -6.171 1.00 3.13 C ATOM 184 CG PHE A 12 5.040 13.206 -6.554 1.00 2.14 C ATOM 185 CD1 PHE A 12 4.445 14.002 -5.588 1.00 53.15 C ATOM 186 CD2 PHE A 12 4.976 13.605 -7.879 1.00 2.41 C ATOM 187 CE1 PHE A 12 3.799 15.173 -5.937 1.00 40.44 C ATOM 188 CE2 PHE A 12 4.332 14.776 -8.234 1.00 24.23 C ATOM 189 CZ PHE A 12 3.742 15.560 -7.262 1.00 10.10 C ATOM 0 H PHE A 12 8.212 10.986 -5.682 1.00 21.24 H new ATOM 0 HA PHE A 12 6.468 13.064 -4.492 1.00 60.24 H new ATOM 0 HB2 PHE A 12 6.380 11.618 -6.996 1.00 3.13 H new ATOM 0 HB3 PHE A 12 4.999 11.149 -6.024 1.00 3.13 H new ATOM 0 HD1 PHE A 12 4.487 13.704 -4.551 1.00 53.15 H new ATOM 0 HD2 PHE A 12 5.434 12.995 -8.643 1.00 2.41 H new ATOM 0 HE1 PHE A 12 3.339 15.785 -5.175 1.00 40.44 H new ATOM 0 HE2 PHE A 12 4.290 15.077 -9.270 1.00 24.23 H new ATOM 0 HZ PHE A 12 3.237 16.474 -7.537 1.00 10.10 H new ATOM 199 N GLY A 13 7.055 10.250 -3.360 1.00 24.44 N ATOM 200 CA GLY A 13 6.719 9.251 -2.362 1.00 24.13 C ATOM 201 C GLY A 13 6.047 9.852 -1.143 1.00 61.14 C ATOM 202 O GLY A 13 6.693 10.089 -0.122 1.00 55.42 O ATOM 0 H GLY A 13 8.039 10.275 -3.628 1.00 24.44 H new ATOM 0 HA2 GLY A 13 6.059 8.506 -2.806 1.00 24.13 H new ATOM 0 HA3 GLY A 13 7.626 8.731 -2.054 1.00 24.13 H new ATOM 206 N LYS A 14 4.746 10.101 -1.250 1.00 22.32 N ATOM 207 CA LYS A 14 3.985 10.678 -0.149 1.00 14.52 C ATOM 208 C LYS A 14 4.377 10.039 1.179 1.00 61.40 C ATOM 209 O LYS A 14 4.384 10.697 2.218 1.00 41.41 O ATOM 210 CB LYS A 14 2.484 10.499 -0.390 1.00 21.31 C ATOM 211 CG LYS A 14 1.752 11.801 -0.663 1.00 14.04 C ATOM 212 CD LYS A 14 0.904 11.711 -1.920 1.00 51.25 C ATOM 213 CE LYS A 14 -0.317 10.830 -1.708 1.00 34.12 C ATOM 214 NZ LYS A 14 -1.275 11.433 -0.740 1.00 0.11 N ATOM 0 H LYS A 14 4.197 9.912 -2.089 1.00 22.32 H new ATOM 0 HA LYS A 14 4.215 11.742 -0.101 1.00 14.52 H new ATOM 0 HB2 LYS A 14 2.338 9.826 -1.235 1.00 21.31 H new ATOM 0 HB3 LYS A 14 2.040 10.018 0.481 1.00 21.31 H new ATOM 0 HG2 LYS A 14 1.117 12.048 0.188 1.00 14.04 H new ATOM 0 HG3 LYS A 14 2.474 12.611 -0.768 1.00 14.04 H new ATOM 0 HD2 LYS A 14 0.586 12.710 -2.217 1.00 51.25 H new ATOM 0 HD3 LYS A 14 1.505 11.311 -2.737 1.00 51.25 H new ATOM 0 HE2 LYS A 14 -0.818 10.668 -2.662 1.00 34.12 H new ATOM 0 HE3 LYS A 14 -0.001 9.852 -1.345 1.00 34.12 H new ATOM 0 HZ1 LYS A 14 -2.201 10.969 -0.834 1.00 0.11 H new ATOM 0 HZ2 LYS A 14 -0.919 11.302 0.228 1.00 0.11 H new ATOM 0 HZ3 LYS A 14 -1.375 12.449 -0.938 1.00 0.11 H new ATOM 228 N ASN A 15 4.705 8.751 1.136 1.00 14.24 N ATOM 229 CA ASN A 15 5.099 8.023 2.337 1.00 63.23 C ATOM 230 C ASN A 15 6.053 8.855 3.189 1.00 63.44 C ATOM 231 O ASN A 15 5.999 8.817 4.418 1.00 12.41 O ATOM 232 CB ASN A 15 5.760 6.696 1.959 1.00 64.31 C ATOM 233 CG ASN A 15 5.189 5.524 2.733 1.00 32.14 C ATOM 234 OD1 ASN A 15 3.994 5.484 3.029 1.00 5.42 O ATOM 235 ND2 ASN A 15 6.042 4.562 3.066 1.00 50.12 N ATOM 0 H ASN A 15 4.706 8.191 0.284 1.00 14.24 H new ATOM 0 HA ASN A 15 4.201 7.821 2.921 1.00 63.23 H new ATOM 0 HB2 ASN A 15 5.631 6.520 0.891 1.00 64.31 H new ATOM 0 HB3 ASN A 15 6.832 6.762 2.144 1.00 64.31 H new ATOM 0 HD21 ASN A 15 5.715 3.749 3.588 1.00 50.12 H new ATOM 0 HD22 ASN A 15 7.024 4.636 2.800 1.00 50.12 H new ATOM 242 N LYS A 16 6.927 9.606 2.527 1.00 70.42 N ATOM 243 CA LYS A 16 7.893 10.449 3.221 1.00 34.13 C ATOM 244 C LYS A 16 7.701 11.916 2.849 1.00 35.35 C ATOM 245 O LYS A 16 7.893 12.806 3.677 1.00 4.13 O ATOM 246 CB LYS A 16 9.319 10.009 2.885 1.00 4.23 C ATOM 247 CG LYS A 16 9.611 8.563 3.245 1.00 74.51 C ATOM 248 CD LYS A 16 11.100 8.320 3.419 1.00 45.15 C ATOM 249 CE LYS A 16 11.454 6.855 3.217 1.00 31.52 C ATOM 250 NZ LYS A 16 12.331 6.341 4.306 1.00 73.23 N ATOM 0 H LYS A 16 6.986 9.648 1.510 1.00 70.42 H new ATOM 0 HA LYS A 16 7.729 10.340 4.293 1.00 34.13 H new ATOM 0 HB2 LYS A 16 9.492 10.151 1.818 1.00 4.23 H new ATOM 0 HB3 LYS A 16 10.023 10.655 3.411 1.00 4.23 H new ATOM 0 HG2 LYS A 16 9.089 8.304 4.167 1.00 74.51 H new ATOM 0 HG3 LYS A 16 9.224 7.908 2.465 1.00 74.51 H new ATOM 0 HD2 LYS A 16 11.655 8.931 2.707 1.00 45.15 H new ATOM 0 HD3 LYS A 16 11.407 8.635 4.416 1.00 45.15 H new ATOM 0 HE2 LYS A 16 10.540 6.263 3.177 1.00 31.52 H new ATOM 0 HE3 LYS A 16 11.956 6.732 2.257 1.00 31.52 H new ATOM 0 HZ1 LYS A 16 12.550 5.339 4.132 1.00 73.23 H new ATOM 0 HZ2 LYS A 16 13.214 6.889 4.328 1.00 73.23 H new ATOM 0 HZ3 LYS A 16 11.842 6.435 5.219 1.00 73.23 H new ATOM 264 N SER A 17 7.318 12.160 1.600 1.00 23.30 N ATOM 265 CA SER A 17 7.102 13.519 1.118 1.00 4.03 C ATOM 266 C SER A 17 6.165 14.283 2.049 1.00 72.53 C ATOM 267 O SER A 17 6.551 15.283 2.653 1.00 25.12 O ATOM 268 CB SER A 17 6.525 13.495 -0.298 1.00 43.04 C ATOM 269 OG SER A 17 7.121 12.470 -1.074 1.00 72.33 O ATOM 0 H SER A 17 7.151 11.434 0.903 1.00 23.30 H new ATOM 0 HA SER A 17 8.065 14.030 1.101 1.00 4.03 H new ATOM 0 HB2 SER A 17 5.447 13.341 -0.252 1.00 43.04 H new ATOM 0 HB3 SER A 17 6.689 14.460 -0.777 1.00 43.04 H new ATOM 0 HG SER A 17 7.131 12.737 -2.017 1.00 72.33 H new ATOM 275 N ARG A 18 4.930 13.803 2.158 1.00 61.00 N ATOM 276 CA ARG A 18 3.936 14.440 3.013 1.00 10.02 C ATOM 277 C ARG A 18 4.056 13.942 4.451 1.00 43.44 C ATOM 278 O ARG A 18 4.904 14.411 5.211 1.00 70.42 O ATOM 279 CB ARG A 18 2.527 14.167 2.484 1.00 52.10 C ATOM 280 CG ARG A 18 1.430 14.829 3.302 1.00 42.20 C ATOM 281 CD ARG A 18 0.154 14.996 2.492 1.00 63.14 C ATOM 282 NE ARG A 18 -0.492 16.281 2.746 1.00 22.31 N ATOM 283 CZ ARG A 18 -1.462 16.779 1.987 1.00 25.21 C ATOM 284 NH1 ARG A 18 -1.895 16.103 0.932 1.00 51.32 N ATOM 285 NH2 ARG A 18 -2.000 17.955 2.283 1.00 21.24 N ATOM 0 H ARG A 18 4.594 12.976 1.665 1.00 61.00 H new ATOM 0 HA ARG A 18 4.119 15.514 3.002 1.00 10.02 H new ATOM 0 HB2 ARG A 18 2.461 14.516 1.454 1.00 52.10 H new ATOM 0 HB3 ARG A 18 2.357 13.091 2.467 1.00 52.10 H new ATOM 0 HG2 ARG A 18 1.224 14.229 4.188 1.00 42.20 H new ATOM 0 HG3 ARG A 18 1.772 15.804 3.649 1.00 42.20 H new ATOM 0 HD2 ARG A 18 0.385 14.910 1.430 1.00 63.14 H new ATOM 0 HD3 ARG A 18 -0.537 14.189 2.734 1.00 63.14 H new ATOM 0 HE ARG A 18 -0.181 16.826 3.550 1.00 22.31 H new ATOM 0 HH11 ARG A 18 -1.483 15.199 0.702 1.00 51.32 H new ATOM 0 HH12 ARG A 18 -2.640 16.487 0.351 1.00 51.32 H new ATOM 0 HH21 ARG A 18 -1.669 18.478 3.094 1.00 21.24 H new ATOM 0 HH22 ARG A 18 -2.745 18.336 1.700 1.00 21.24 H new TER 299 ARG A 18