USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 117 hydrogens (3 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 NoAdj-H: A 9 SEP H2 : A 9 SEP N : A 8 GLN C :(H bumps) USER MOD NoAdj-H: A 9 SEP H : A 9 SEP N : A 8 GLN C :(H bumps) USER MOD Single : A 1 CYS N :NH3+ 164:sc= 0.0682 (180deg=0.0351) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0489 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 1.01 K(o=1,f=-0.42) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 8.218 -5.125 -2.239 1.00 0.00 N ATOM 2 CA CYS A 1 7.825 -4.978 -3.671 1.00 0.00 C ATOM 3 C CYS A 1 6.473 -4.247 -3.802 1.00 0.00 C ATOM 4 O CYS A 1 6.459 -3.014 -3.794 1.00 0.00 O ATOM 5 CB CYS A 1 7.894 -6.329 -4.435 1.00 0.00 C ATOM 6 SG CYS A 1 9.614 -6.931 -4.488 1.00 0.00 S ATOM 0 H1 CYS A 1 8.970 -5.839 -2.157 1.00 0.00 H new ATOM 0 H2 CYS A 1 8.566 -4.213 -1.879 1.00 0.00 H new ATOM 0 H3 CYS A 1 7.393 -5.425 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 1 8.558 -4.341 -4.165 1.00 0.00 H new ATOM 0 HB2 CYS A 1 7.257 -7.066 -3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.513 -6.203 -5.448 1.00 0.00 H new ATOM 0 HG CYS A 1 9.658 -8.062 -5.127 1.00 0.00 H new ATOM 13 N ARG A 2 5.340 -4.968 -3.903 1.00 0.00 N ATOM 14 CA ARG A 2 3.977 -4.405 -4.009 1.00 0.00 C ATOM 15 C ARG A 2 2.906 -5.371 -3.473 1.00 0.00 C ATOM 16 O ARG A 2 3.040 -6.590 -3.603 1.00 0.00 O ATOM 17 CB ARG A 2 3.676 -3.952 -5.457 1.00 0.00 C ATOM 18 CG ARG A 2 3.716 -5.086 -6.503 1.00 0.00 C ATOM 19 CD ARG A 2 3.394 -4.609 -7.926 1.00 0.00 C ATOM 20 NE ARG A 2 4.460 -3.762 -8.499 1.00 0.00 N ATOM 21 CZ ARG A 2 4.558 -3.375 -9.766 1.00 0.00 C ATOM 22 NH1 ARG A 2 5.575 -2.632 -10.150 1.00 0.00 N ATOM 23 NH2 ARG A 2 3.663 -3.713 -10.674 1.00 0.00 N ATOM 0 H ARG A 2 5.346 -5.988 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 2 3.938 -3.521 -3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.691 -3.487 -5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.397 -3.186 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.705 -5.543 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.004 -5.861 -6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.239 -5.476 -8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.458 -4.050 -7.914 1.00 0.00 H new ATOM 0 HE ARG A 2 5.190 -3.444 -7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.287 -2.354 -9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.651 -2.335 -11.123 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.864 -4.290 -10.412 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.770 -3.398 -11.638 1.00 0.00 H new ATOM 34 N LYS A 3 1.850 -4.819 -2.860 1.00 0.00 N ATOM 35 CA LYS A 3 0.783 -5.572 -2.163 1.00 0.00 C ATOM 36 C LYS A 3 -0.487 -4.712 -1.933 1.00 0.00 C ATOM 37 O LYS A 3 -1.042 -4.703 -0.840 1.00 0.00 O ATOM 38 CB LYS A 3 1.365 -6.210 -0.868 1.00 0.00 C ATOM 39 CG LYS A 3 0.829 -7.615 -0.533 1.00 0.00 C ATOM 40 CD LYS A 3 -0.652 -7.660 -0.124 1.00 0.00 C ATOM 41 CE LYS A 3 -1.057 -9.003 0.507 1.00 0.00 C ATOM 42 NZ LYS A 3 -0.959 -10.147 -0.439 1.00 0.00 N ATOM 0 H LYS A 3 1.705 -3.810 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 3 0.439 -6.388 -2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.449 -6.265 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.153 -5.548 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.971 -8.259 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.428 -8.033 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.853 -6.856 0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.272 -7.475 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.421 -9.198 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.080 -8.931 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.244 -11.023 0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.586 -9.980 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.022 -10.239 -0.772 1.00 0.00 H new ATOM 52 N ALA A 4 -0.925 -3.957 -2.949 1.00 0.00 N ATOM 53 CA ALA A 4 -2.099 -3.055 -2.951 1.00 0.00 C ATOM 54 C ALA A 4 -2.420 -2.559 -4.376 1.00 0.00 C ATOM 55 O ALA A 4 -1.522 -2.439 -5.210 1.00 0.00 O ATOM 56 CB ALA A 4 -1.882 -1.909 -1.937 1.00 0.00 C ATOM 0 H ALA A 4 -0.445 -3.955 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.981 -3.607 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.749 -1.249 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.751 -2.326 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.993 -1.342 -2.213 1.00 0.00 H new ATOM 62 N GLY A 5 -3.698 -2.251 -4.640 1.00 0.00 N ATOM 63 CA GLY A 5 -4.202 -1.769 -5.944 1.00 0.00 C ATOM 64 C GLY A 5 -5.491 -0.940 -5.865 1.00 0.00 C ATOM 65 O GLY A 5 -5.546 0.141 -6.449 1.00 0.00 O ATOM 0 H GLY A 5 -4.433 -2.331 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.427 -1.167 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.378 -2.629 -6.591 1.00 0.00 H new ATOM 69 N VAL A 6 -6.491 -1.419 -5.109 1.00 0.00 N ATOM 70 CA VAL A 6 -7.800 -0.761 -4.839 1.00 0.00 C ATOM 71 C VAL A 6 -7.681 0.753 -4.578 1.00 0.00 C ATOM 72 O VAL A 6 -8.310 1.544 -5.280 1.00 0.00 O ATOM 73 CB VAL A 6 -8.524 -1.494 -3.671 1.00 0.00 C ATOM 74 CG1 VAL A 6 -9.490 -0.639 -2.830 1.00 0.00 C ATOM 75 CG2 VAL A 6 -9.270 -2.722 -4.215 1.00 0.00 C ATOM 0 H VAL A 6 -6.415 -2.322 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.402 -0.847 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.726 -1.773 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.934 -1.255 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.943 0.187 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.277 -0.243 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.776 -3.233 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.006 -2.403 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.558 -3.402 -4.683 1.00 0.00 H new ATOM 85 N GLY A 7 -6.871 1.150 -3.585 1.00 0.00 N ATOM 86 CA GLY A 7 -6.612 2.562 -3.238 1.00 0.00 C ATOM 87 C GLY A 7 -5.164 2.890 -2.857 1.00 0.00 C ATOM 88 O GLY A 7 -4.785 4.060 -2.890 1.00 0.00 O ATOM 0 H GLY A 7 -6.368 0.492 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.897 3.185 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.260 2.839 -2.407 1.00 0.00 H new ATOM 92 N GLN A 8 -4.364 1.871 -2.511 1.00 0.00 N ATOM 93 CA GLN A 8 -2.934 1.974 -2.173 1.00 0.00 C ATOM 94 C GLN A 8 -2.647 2.957 -1.016 1.00 0.00 C ATOM 95 O GLN A 8 -1.718 3.773 -1.078 1.00 0.00 O ATOM 96 CB GLN A 8 -2.097 2.196 -3.447 1.00 0.00 C ATOM 97 CG GLN A 8 -2.105 0.952 -4.356 1.00 0.00 C ATOM 98 CD GLN A 8 -1.280 1.162 -5.638 1.00 0.00 C ATOM 99 OE1 GLN A 8 -1.064 2.271 -6.117 1.00 0.00 O ATOM 100 NE2 GLN A 8 -0.781 0.113 -6.259 1.00 0.00 N ATOM 0 H GLN A 8 -4.708 0.912 -2.456 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.609 1.019 -1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.490 3.051 -3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.071 2.439 -3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.707 0.100 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.133 0.707 -4.624 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.942 -0.823 -5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.234 0.237 -7.111 1.00 0.00 H new HETATM 107 N SEP A 9 -3.455 2.844 0.053 1.00 0.00 N HETATM 108 CA SEP A 9 -3.251 3.512 1.359 1.00 0.00 C HETATM 109 CB SEP A 9 -3.721 4.984 1.272 1.00 0.00 C HETATM 110 OG SEP A 9 -3.115 5.792 2.276 1.00 0.00 O HETATM 111 C SEP A 9 -3.907 2.774 2.553 1.00 0.00 C HETATM 112 O SEP A 9 -4.026 3.320 3.654 1.00 0.00 O HETATM 113 P SEP A 9 -3.452 7.372 2.464 1.00 0.00 P HETATM 114 O1P SEP A 9 -3.021 8.014 1.196 1.00 0.00 O HETATM 115 O2P SEP A 9 -4.917 7.432 2.719 1.00 0.00 O HETATM 116 O3P SEP A 9 -2.625 7.752 3.640 1.00 0.00 O HETATM 0 HB3 SEP A 9 -3.480 5.385 0.288 1.00 0.00 H new HETATM 0 HB2 SEP A 9 -4.805 5.026 1.376 1.00 0.00 H new HETATM 0 HA SEP A 9 -2.181 3.483 1.566 1.00 0.00 H new ATOM 120 N TRP A 10 -4.365 1.527 2.340 1.00 0.00 N ATOM 121 CA TRP A 10 -5.181 0.781 3.305 1.00 0.00 C ATOM 122 C TRP A 10 -4.350 0.211 4.477 1.00 0.00 C ATOM 123 O TRP A 10 -4.096 0.886 5.473 1.00 0.00 O ATOM 124 CB TRP A 10 -6.091 -0.230 2.569 1.00 0.00 C ATOM 125 CG TRP A 10 -5.500 -1.128 1.516 1.00 0.00 C ATOM 126 CD1 TRP A 10 -5.394 -0.821 0.204 1.00 0.00 C ATOM 127 CD2 TRP A 10 -4.959 -2.486 1.627 1.00 0.00 C ATOM 128 NE1 TRP A 10 -4.905 -1.895 -0.497 1.00 0.00 N ATOM 129 CE2 TRP A 10 -4.535 -2.908 0.343 1.00 0.00 C ATOM 130 CE3 TRP A 10 -4.719 -3.392 2.679 1.00 0.00 C ATOM 131 CZ2 TRP A 10 -3.869 -4.111 0.131 1.00 0.00 C ATOM 132 CZ3 TRP A 10 -3.997 -4.589 2.486 1.00 0.00 C ATOM 133 CH2 TRP A 10 -3.552 -4.940 1.209 1.00 0.00 C ATOM 0 H TRP A 10 -4.175 1.007 1.483 1.00 0.00 H new ATOM 0 HA TRP A 10 -5.859 1.471 3.808 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -6.547 -0.869 3.325 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -6.897 0.336 2.101 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.656 0.132 -0.230 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -4.828 -1.932 -1.513 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -5.099 -3.163 3.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.596 -4.405 -0.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -3.788 -5.234 3.326 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.972 -5.838 1.058 1.00 0.00 H new ATOM 143 N LYS A 11 -3.937 -1.051 4.354 1.00 0.00 N ATOM 144 CA LYS A 11 -3.054 -1.794 5.273 1.00 0.00 C ATOM 145 C LYS A 11 -1.718 -2.165 4.589 1.00 0.00 C ATOM 146 O LYS A 11 -0.714 -2.359 5.266 1.00 0.00 O ATOM 147 CB LYS A 11 -3.735 -3.057 5.859 1.00 0.00 C ATOM 148 CG LYS A 11 -5.219 -2.912 6.270 1.00 0.00 C ATOM 149 CD LYS A 11 -5.940 -4.267 6.408 1.00 0.00 C ATOM 150 CE LYS A 11 -6.175 -5.009 5.070 1.00 0.00 C ATOM 151 NZ LYS A 11 -6.993 -6.240 5.262 1.00 0.00 N ATOM 0 H LYS A 11 -4.225 -1.624 3.561 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.843 -1.125 6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.661 -3.857 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.168 -3.376 6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.277 -2.377 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.738 -2.304 5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.356 -4.909 7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.903 -4.104 6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.677 -4.344 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.215 -5.275 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.131 -6.712 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.502 -6.885 5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.918 -5.983 5.662 1.00 0.00 H new ATOM 161 N GLU A 12 -1.737 -2.233 3.248 1.00 0.00 N ATOM 162 CA GLU A 12 -0.705 -2.640 2.281 1.00 0.00 C ATOM 163 C GLU A 12 0.442 -3.491 2.881 1.00 0.00 C ATOM 164 O GLU A 12 0.358 -4.719 2.894 1.00 0.00 O ATOM 165 CB GLU A 12 -0.200 -1.426 1.471 1.00 0.00 C ATOM 166 CG GLU A 12 -1.173 -0.264 1.174 1.00 0.00 C ATOM 167 CD GLU A 12 -0.358 0.843 0.479 1.00 0.00 C ATOM 168 OE1 GLU A 12 -0.176 0.780 -0.759 1.00 0.00 O ATOM 169 OE2 GLU A 12 0.172 1.735 1.186 1.00 0.00 O ATOM 0 H GLU A 12 -2.589 -1.969 2.753 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.193 -3.325 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.656 -1.010 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.168 -1.799 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.990 -0.599 0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.621 0.108 2.095 1.00 0.00 H new ATOM 174 N ASN A 13 1.505 -2.845 3.382 1.00 0.00 N ATOM 175 CA ASN A 13 2.693 -3.449 4.009 1.00 0.00 C ATOM 176 C ASN A 13 3.027 -2.789 5.374 1.00 0.00 C ATOM 177 O ASN A 13 4.176 -2.804 5.821 1.00 0.00 O ATOM 178 CB ASN A 13 3.872 -3.342 3.021 1.00 0.00 C ATOM 179 CG ASN A 13 3.661 -4.164 1.753 1.00 0.00 C ATOM 180 OD1 ASN A 13 3.795 -5.382 1.749 1.00 0.00 O ATOM 181 ND2 ASN A 13 3.337 -3.531 0.637 1.00 0.00 N ATOM 0 H ASN A 13 1.563 -1.827 3.360 1.00 0.00 H new ATOM 0 HA ASN A 13 2.492 -4.498 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.018 -2.296 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.785 -3.674 3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.199 -4.057 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.225 -2.517 0.640 1.00 0.00 H new ATOM 187 N SER A 14 2.043 -2.167 6.031 1.00 0.00 N ATOM 188 CA SER A 14 2.220 -1.311 7.220 1.00 0.00 C ATOM 189 C SER A 14 1.561 -1.890 8.492 1.00 0.00 C ATOM 190 O SER A 14 0.553 -2.601 8.390 1.00 0.00 O ATOM 191 CB SER A 14 1.586 0.072 6.967 1.00 0.00 C ATOM 192 OG SER A 14 2.127 0.692 5.804 1.00 0.00 O ATOM 0 H SER A 14 1.067 -2.245 5.744 1.00 0.00 H new ATOM 0 HA SER A 14 3.296 -1.246 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.507 -0.037 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.752 0.713 7.833 1.00 0.00 H new ATOM 0 HG SER A 14 1.703 1.565 5.672 1.00 0.00 H new ATOM 197 N PRO A 15 2.063 -1.534 9.697 1.00 0.00 N ATOM 198 CA PRO A 15 1.394 -1.829 10.966 1.00 0.00 C ATOM 199 C PRO A 15 0.231 -0.860 11.253 1.00 0.00 C ATOM 200 O PRO A 15 -0.567 -1.129 12.150 1.00 0.00 O ATOM 201 CB PRO A 15 2.491 -1.691 12.025 1.00 0.00 C ATOM 202 CG PRO A 15 3.410 -0.616 11.449 1.00 0.00 C ATOM 203 CD PRO A 15 3.346 -0.880 9.946 1.00 0.00 C ATOM 0 HA PRO A 15 0.943 -2.821 10.954 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.082 -1.394 12.990 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.021 -2.631 12.179 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.064 0.387 11.698 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.427 -0.706 11.832 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.423 0.051 9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.174 -1.514 9.627 1.00 0.00 H new ATOM 208 N LEU A 16 0.170 0.283 10.538 1.00 0.00 N ATOM 209 CA LEU A 16 -0.855 1.354 10.561 1.00 0.00 C ATOM 210 C LEU A 16 -1.199 1.941 11.940 1.00 0.00 C ATOM 211 O LEU A 16 -2.215 2.600 12.155 1.00 0.00 O ATOM 212 CB LEU A 16 -2.075 0.942 9.735 1.00 0.00 C ATOM 213 CG LEU A 16 -3.019 -0.100 10.374 1.00 0.00 C ATOM 214 CD1 LEU A 16 -4.475 0.387 10.363 1.00 0.00 C ATOM 215 CD2 LEU A 16 -2.937 -1.453 9.652 1.00 0.00 C ATOM 0 H LEU A 16 0.905 0.502 9.866 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.390 2.214 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.655 1.838 9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.724 0.546 8.782 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.691 -0.228 11.405 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.115 -0.368 10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.552 1.317 10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.793 0.559 9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.614 -2.161 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.221 -1.326 8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.917 -1.833 9.707 1.00 0.00 H new ATOM 226 N ASN A 17 -0.306 1.639 12.869 1.00 0.00 N ATOM 227 CA ASN A 17 -0.280 2.009 14.288 1.00 0.00 C ATOM 228 C ASN A 17 -1.345 1.252 15.124 1.00 0.00 C ATOM 229 O ASN A 17 -1.805 1.747 16.156 1.00 0.00 O ATOM 230 CB ASN A 17 -0.299 3.550 14.439 1.00 0.00 C ATOM 231 CG ASN A 17 0.899 4.044 15.241 1.00 0.00 C ATOM 232 OD1 ASN A 17 0.787 4.444 16.396 1.00 0.00 O ATOM 233 ND2 ASN A 17 2.084 4.016 14.653 1.00 0.00 N ATOM 0 H ASN A 17 0.506 1.070 12.629 1.00 0.00 H new ATOM 0 HA ASN A 17 0.662 1.674 14.723 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.295 4.014 13.453 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.221 3.858 14.932 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.912 4.328 15.160 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.169 3.682 13.693 1.00 0.00 H new ATOM 239 N VAL A 18 -1.749 0.049 14.679 1.00 0.00 N ATOM 240 CA VAL A 18 -2.831 -0.752 15.303 1.00 0.00 C ATOM 241 C VAL A 18 -2.495 -1.245 16.727 1.00 0.00 C ATOM 242 O VAL A 18 -3.406 -1.452 17.530 1.00 0.00 O ATOM 243 CB VAL A 18 -3.243 -1.930 14.382 1.00 0.00 C ATOM 244 CG1 VAL A 18 -2.238 -3.096 14.381 1.00 0.00 C ATOM 245 CG2 VAL A 18 -4.647 -2.460 14.716 1.00 0.00 C ATOM 0 H VAL A 18 -1.332 -0.405 13.866 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.681 -0.079 15.418 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.250 -1.505 13.378 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.593 -3.882 13.715 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.267 -2.739 14.036 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.141 -3.493 15.391 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.894 -3.284 14.046 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.667 -2.812 15.747 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.377 -1.660 14.591 1.00 0.00 H new ATOM 255 N SER A 19 -1.200 -1.401 17.053 1.00 0.00 N ATOM 256 CA SER A 19 -0.689 -1.779 18.384 1.00 0.00 C ATOM 257 C SER A 19 -0.135 -0.564 19.144 1.00 0.00 C ATOM 258 O SER A 19 0.829 0.074 18.653 1.00 0.00 O ATOM 259 CB SER A 19 0.373 -2.871 18.234 1.00 0.00 C ATOM 260 OG SER A 19 0.667 -3.416 19.513 1.00 0.00 O ATOM 261 OXT SER A 19 -0.689 -0.224 20.215 1.00 0.00 O ATOM 0 H SER A 19 -0.453 -1.262 16.373 1.00 0.00 H new ATOM 0 HA SER A 19 -1.517 -2.169 18.976 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.015 -3.654 17.566 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.276 -2.457 17.785 1.00 0.00 H new ATOM 0 HG SER A 19 1.346 -4.117 19.422 1.00 0.00 H new TER 266 SER A 19