USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 272 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 7 THR OG1 : rot 100:sc= 1.15 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 2.23 (180deg=2.15) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.14) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= 1.3 (180deg=0.55) USER MOD Single : A 28 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.54) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 5 15.134 -1.173 -0.216 1.00 0.00 N ATOM 46 CA VAL A 5 15.024 0.217 -0.653 1.00 0.00 C ATOM 47 C VAL A 5 13.612 0.442 -1.195 1.00 0.00 C ATOM 48 O VAL A 5 13.073 -0.378 -1.942 1.00 0.00 O ATOM 49 CB VAL A 5 16.122 0.589 -1.680 1.00 0.00 C ATOM 50 CG1 VAL A 5 16.189 2.112 -1.882 1.00 0.00 C ATOM 51 CG2 VAL A 5 17.526 0.113 -1.266 1.00 0.00 C ATOM 0 HA VAL A 5 15.188 0.882 0.195 1.00 0.00 H new ATOM 0 HB VAL A 5 15.838 0.081 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.967 2.349 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.228 2.473 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 5 16.419 2.595 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.249 0.405 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.798 0.568 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.527 -0.972 -1.163 1.00 0.00 H new ATOM 61 N ARG A 6 13.029 1.572 -0.804 1.00 0.00 N ATOM 62 CA ARG A 6 11.754 2.113 -1.252 1.00 0.00 C ATOM 63 C ARG A 6 11.900 3.622 -1.089 1.00 0.00 C ATOM 64 O ARG A 6 12.566 4.052 -0.145 1.00 0.00 O ATOM 65 CB ARG A 6 10.628 1.540 -0.366 1.00 0.00 C ATOM 66 CG ARG A 6 9.243 2.126 -0.684 1.00 0.00 C ATOM 67 CD ARG A 6 8.152 1.444 0.147 1.00 0.00 C ATOM 68 NE ARG A 6 6.828 2.036 -0.117 1.00 0.00 N ATOM 69 CZ ARG A 6 5.681 1.679 0.476 1.00 0.00 C ATOM 70 NH1 ARG A 6 5.661 0.711 1.391 1.00 0.00 N ATOM 71 NH2 ARG A 6 4.551 2.298 0.149 1.00 0.00 N ATOM 0 H ARG A 6 13.472 2.178 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 6 11.502 1.856 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.594 0.458 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.865 1.734 0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.243 3.197 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.027 2.002 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.129 0.379 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.389 1.536 1.207 1.00 0.00 H new ATOM 0 HE ARG A 6 6.781 2.782 -0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.525 0.233 1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.782 0.448 1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.560 3.041 -0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.675 2.030 0.597 1.00 0.00 H new ATOM 85 N THR A 7 11.299 4.412 -1.972 1.00 0.00 N ATOM 86 CA THR A 7 11.285 5.866 -1.860 1.00 0.00 C ATOM 87 C THR A 7 9.909 6.295 -1.344 1.00 0.00 C ATOM 88 O THR A 7 8.893 5.672 -1.666 1.00 0.00 O ATOM 89 CB THR A 7 11.630 6.485 -3.222 1.00 0.00 C ATOM 90 OG1 THR A 7 12.767 5.835 -3.769 1.00 0.00 O ATOM 91 CG2 THR A 7 11.976 7.974 -3.136 1.00 0.00 C ATOM 0 H THR A 7 10.804 4.059 -2.791 1.00 0.00 H new ATOM 0 HA THR A 7 12.035 6.220 -1.153 1.00 0.00 H new ATOM 0 HB THR A 7 10.741 6.362 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.478 5.176 -4.434 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.210 8.351 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.126 8.522 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.839 8.110 -2.484 1.00 0.00 H new ATOM 99 N ILE A 8 9.886 7.355 -0.537 1.00 0.00 N ATOM 100 CA ILE A 8 8.669 7.907 0.064 1.00 0.00 C ATOM 101 C ILE A 8 8.241 9.163 -0.718 1.00 0.00 C ATOM 102 O ILE A 8 8.979 9.634 -1.587 1.00 0.00 O ATOM 103 CB ILE A 8 8.892 8.161 1.580 1.00 0.00 C ATOM 104 CG1 ILE A 8 9.679 9.454 1.845 1.00 0.00 C ATOM 105 CG2 ILE A 8 9.598 6.958 2.241 1.00 0.00 C ATOM 106 CD1 ILE A 8 9.747 9.785 3.336 1.00 0.00 C ATOM 0 H ILE A 8 10.730 7.866 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 8 7.846 7.195 -0.005 1.00 0.00 H new ATOM 0 HB ILE A 8 7.906 8.282 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.690 9.351 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.210 10.280 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.743 7.160 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.984 6.065 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.566 6.798 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.312 10.706 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.738 9.914 3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.240 8.971 3.867 1.00 0.00 H new ATOM 118 N TRP A 9 7.086 9.744 -0.377 1.00 0.00 N ATOM 119 CA TRP A 9 6.648 11.043 -0.893 1.00 0.00 C ATOM 120 C TRP A 9 5.862 11.778 0.204 1.00 0.00 C ATOM 121 O TRP A 9 4.739 12.238 -0.003 1.00 0.00 O ATOM 122 CB TRP A 9 5.899 10.868 -2.232 1.00 0.00 C ATOM 123 CG TRP A 9 6.281 11.840 -3.312 1.00 0.00 C ATOM 124 CD1 TRP A 9 7.021 11.522 -4.398 1.00 0.00 C ATOM 125 CD2 TRP A 9 6.005 13.275 -3.438 1.00 0.00 C ATOM 126 NE1 TRP A 9 7.185 12.628 -5.203 1.00 0.00 N ATOM 127 CE2 TRP A 9 6.585 13.743 -4.659 1.00 0.00 C ATOM 128 CE3 TRP A 9 5.337 14.239 -2.650 1.00 0.00 C ATOM 129 CZ2 TRP A 9 6.487 15.079 -5.079 1.00 0.00 C ATOM 130 CZ3 TRP A 9 5.258 15.587 -3.046 1.00 0.00 C ATOM 131 CH2 TRP A 9 5.823 16.008 -4.263 1.00 0.00 C ATOM 0 H TRP A 9 6.423 9.320 0.272 1.00 0.00 H new ATOM 0 HA TRP A 9 7.499 11.680 -1.136 1.00 0.00 H new ATOM 0 HB2 TRP A 9 6.074 9.856 -2.598 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.829 10.959 -2.046 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.425 10.542 -4.605 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.688 12.622 -6.091 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.876 13.934 -1.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.918 15.389 -6.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 4.760 16.304 -2.410 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.746 17.041 -4.568 1.00 0.00 H new ATOM 142 N VAL A 10 6.406 11.798 1.425 1.00 0.00 N ATOM 143 CA VAL A 10 5.723 12.387 2.573 1.00 0.00 C ATOM 144 C VAL A 10 5.909 13.910 2.540 1.00 0.00 C ATOM 145 O VAL A 10 6.973 14.414 2.163 1.00 0.00 O ATOM 146 CB VAL A 10 6.211 11.693 3.866 1.00 0.00 C ATOM 147 CG1 VAL A 10 7.530 12.252 4.404 1.00 0.00 C ATOM 148 CG2 VAL A 10 5.160 11.728 4.979 1.00 0.00 C ATOM 0 H VAL A 10 7.324 11.409 1.641 1.00 0.00 H new ATOM 0 HA VAL A 10 4.646 12.220 2.539 1.00 0.00 H new ATOM 0 HB VAL A 10 6.384 10.659 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.809 11.717 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.311 12.127 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.411 13.312 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.551 11.228 5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.922 12.764 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.257 11.217 4.643 1.00 0.00 H new ATOM 158 N GLY A 11 4.890 14.641 2.996 1.00 0.00 N ATOM 159 CA GLY A 11 4.878 16.100 3.063 1.00 0.00 C ATOM 160 C GLY A 11 5.502 16.630 4.358 1.00 0.00 C ATOM 161 O GLY A 11 5.005 17.611 4.912 1.00 0.00 O ATOM 0 H GLY A 11 4.026 14.220 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.421 16.505 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.851 16.456 2.985 1.00 0.00 H new ATOM 165 N GLY A 12 6.546 15.959 4.864 1.00 0.00 N ATOM 166 CA GLY A 12 7.334 16.406 6.010 1.00 0.00 C ATOM 167 C GLY A 12 6.489 16.654 7.261 1.00 0.00 C ATOM 168 O GLY A 12 6.682 17.667 7.935 1.00 0.00 O ATOM 0 H GLY A 12 6.869 15.072 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.094 15.657 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.859 17.324 5.746 1.00 0.00 H new ATOM 172 N THR A 13 5.526 15.775 7.553 1.00 0.00 N ATOM 173 CA THR A 13 4.686 15.868 8.738 1.00 0.00 C ATOM 174 C THR A 13 5.597 15.767 9.974 1.00 0.00 C ATOM 175 O THR A 13 6.482 14.907 9.974 1.00 0.00 O ATOM 176 CB THR A 13 3.644 14.736 8.686 1.00 0.00 C ATOM 177 OG1 THR A 13 3.171 14.536 7.362 1.00 0.00 O ATOM 178 CG2 THR A 13 2.448 14.971 9.611 1.00 0.00 C ATOM 0 H THR A 13 5.310 14.972 6.963 1.00 0.00 H new ATOM 0 HA THR A 13 4.147 16.814 8.787 1.00 0.00 H new ATOM 0 HB THR A 13 4.165 13.845 9.036 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.512 13.811 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.752 14.136 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.795 15.050 10.641 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.944 15.894 9.326 1.00 0.00 H new ATOM 186 N PRO A 14 5.403 16.580 11.032 1.00 0.00 N ATOM 187 CA PRO A 14 6.265 16.582 12.214 1.00 0.00 C ATOM 188 C PRO A 14 6.507 15.212 12.855 1.00 0.00 C ATOM 189 O PRO A 14 7.545 15.021 13.488 1.00 0.00 O ATOM 190 CB PRO A 14 5.594 17.532 13.210 1.00 0.00 C ATOM 191 CG PRO A 14 4.874 18.527 12.307 1.00 0.00 C ATOM 192 CD PRO A 14 4.434 17.667 11.124 1.00 0.00 C ATOM 0 HA PRO A 14 7.264 16.898 11.914 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.899 17.005 13.864 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.324 18.025 13.852 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.023 18.985 12.811 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.533 19.337 11.994 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.427 17.279 11.277 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.414 18.251 10.204 1.00 0.00 H new ATOM 200 N GLU A 15 5.575 14.265 12.710 1.00 0.00 N ATOM 201 CA GLU A 15 5.685 12.938 13.302 1.00 0.00 C ATOM 202 C GLU A 15 6.299 11.950 12.312 1.00 0.00 C ATOM 203 O GLU A 15 7.016 11.036 12.715 1.00 0.00 O ATOM 204 CB GLU A 15 4.305 12.451 13.778 1.00 0.00 C ATOM 205 CG GLU A 15 3.703 13.313 14.900 1.00 0.00 C ATOM 206 CD GLU A 15 4.532 13.266 16.197 1.00 0.00 C ATOM 207 OE1 GLU A 15 5.455 14.097 16.360 1.00 0.00 O ATOM 208 OE2 GLU A 15 4.256 12.408 17.067 1.00 0.00 O ATOM 0 H GLU A 15 4.719 14.404 12.174 1.00 0.00 H new ATOM 0 HA GLU A 15 6.346 12.999 14.166 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.620 12.442 12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.393 11.423 14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.628 14.346 14.559 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.689 12.973 15.110 1.00 0.00 H new ATOM 215 N GLU A 16 6.098 12.149 11.007 1.00 0.00 N ATOM 216 CA GLU A 16 6.721 11.310 9.984 1.00 0.00 C ATOM 217 C GLU A 16 8.214 11.633 9.923 1.00 0.00 C ATOM 218 O GLU A 16 9.034 10.729 9.777 1.00 0.00 O ATOM 219 CB GLU A 16 6.041 11.524 8.627 1.00 0.00 C ATOM 220 CG GLU A 16 4.557 11.119 8.650 1.00 0.00 C ATOM 221 CD GLU A 16 4.341 9.600 8.752 1.00 0.00 C ATOM 222 OE1 GLU A 16 4.295 8.915 7.706 1.00 0.00 O ATOM 223 OE2 GLU A 16 4.171 9.091 9.883 1.00 0.00 O ATOM 0 H GLU A 16 5.504 12.890 10.634 1.00 0.00 H new ATOM 0 HA GLU A 16 6.599 10.258 10.241 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.125 12.573 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.562 10.944 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.068 11.606 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.073 11.488 7.745 1.00 0.00 H new ATOM 230 N LEU A 17 8.578 12.897 10.168 1.00 0.00 N ATOM 231 CA LEU A 17 9.956 13.343 10.366 1.00 0.00 C ATOM 232 C LEU A 17 10.611 12.697 11.599 1.00 0.00 C ATOM 233 O LEU A 17 11.806 12.900 11.813 1.00 0.00 O ATOM 234 CB LEU A 17 9.994 14.880 10.489 1.00 0.00 C ATOM 235 CG LEU A 17 9.753 15.639 9.171 1.00 0.00 C ATOM 236 CD1 LEU A 17 9.597 17.134 9.462 1.00 0.00 C ATOM 237 CD2 LEU A 17 10.903 15.452 8.174 1.00 0.00 C ATOM 0 H LEU A 17 7.901 13.657 10.235 1.00 0.00 H new ATOM 0 HA LEU A 17 10.530 13.026 9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.242 15.191 11.214 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.964 15.175 10.890 1.00 0.00 H new ATOM 0 HG LEU A 17 8.846 15.231 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.426 17.670 8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.749 17.288 10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.504 17.509 9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.686 16.006 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.829 15.823 8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.012 14.393 7.939 1.00 0.00 H new ATOM 249 N LYS A 18 9.873 11.913 12.399 1.00 0.00 N ATOM 250 CA LYS A 18 10.444 11.097 13.474 1.00 0.00 C ATOM 251 C LYS A 18 10.360 9.629 13.078 1.00 0.00 C ATOM 252 O LYS A 18 11.387 8.961 13.002 1.00 0.00 O ATOM 253 CB LYS A 18 9.727 11.352 14.814 1.00 0.00 C ATOM 254 CG LYS A 18 9.784 12.821 15.258 1.00 0.00 C ATOM 255 CD LYS A 18 9.098 13.004 16.621 1.00 0.00 C ATOM 256 CE LYS A 18 9.006 14.482 17.026 1.00 0.00 C ATOM 257 NZ LYS A 18 7.972 15.216 16.259 1.00 0.00 N ATOM 0 H LYS A 18 8.860 11.829 12.316 1.00 0.00 H new ATOM 0 HA LYS A 18 11.488 11.374 13.616 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.685 11.046 14.726 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.178 10.728 15.585 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.822 13.147 15.321 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.297 13.450 14.513 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.096 12.576 16.583 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.651 12.454 17.382 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.782 14.551 18.090 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.974 14.959 16.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.040 16.232 16.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.120 15.062 15.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.029 14.869 16.528 1.00 0.00 H new ATOM 271 N LYS A 19 9.161 9.130 12.766 1.00 0.00 N ATOM 272 CA LYS A 19 8.932 7.712 12.488 1.00 0.00 C ATOM 273 C LYS A 19 9.725 7.257 11.269 1.00 0.00 C ATOM 274 O LYS A 19 10.426 6.249 11.330 1.00 0.00 O ATOM 275 CB LYS A 19 7.437 7.464 12.250 1.00 0.00 C ATOM 276 CG LYS A 19 6.570 7.688 13.505 1.00 0.00 C ATOM 277 CD LYS A 19 5.105 7.972 13.145 1.00 0.00 C ATOM 278 CE LYS A 19 4.444 6.812 12.385 1.00 0.00 C ATOM 279 NZ LYS A 19 3.207 7.246 11.698 1.00 0.00 N ATOM 0 H LYS A 19 8.319 9.702 12.699 1.00 0.00 H new ATOM 0 HA LYS A 19 9.268 7.138 13.351 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.089 8.124 11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.298 6.441 11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.622 6.807 14.145 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.971 8.523 14.079 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.543 8.170 14.058 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.053 8.875 12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.145 6.409 11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.211 6.006 13.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.640 6.412 11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.655 7.860 12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.455 7.772 10.836 1.00 0.00 H new ATOM 293 N LEU A 20 9.635 7.990 10.157 1.00 0.00 N ATOM 294 CA LEU A 20 10.311 7.599 8.926 1.00 0.00 C ATOM 295 C LEU A 20 11.801 7.906 9.030 1.00 0.00 C ATOM 296 O LEU A 20 12.602 7.189 8.444 1.00 0.00 O ATOM 297 CB LEU A 20 9.699 8.275 7.689 1.00 0.00 C ATOM 298 CG LEU A 20 8.183 8.057 7.485 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.779 8.547 6.096 1.00 0.00 C ATOM 300 CD2 LEU A 20 7.752 6.591 7.634 1.00 0.00 C ATOM 0 H LEU A 20 9.100 8.856 10.087 1.00 0.00 H new ATOM 0 HA LEU A 20 10.175 6.525 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.887 9.347 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.222 7.912 6.804 1.00 0.00 H new ATOM 0 HG LEU A 20 7.681 8.625 8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.710 8.393 5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.008 9.609 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.331 7.990 5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.676 6.510 7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.272 5.982 6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.001 6.238 8.635 1.00 0.00 H new ATOM 312 N LYS A 21 12.204 8.924 9.799 1.00 0.00 N ATOM 313 CA LYS A 21 13.621 9.157 10.076 1.00 0.00 C ATOM 314 C LYS A 21 14.216 7.980 10.853 1.00 0.00 C ATOM 315 O LYS A 21 15.331 7.563 10.552 1.00 0.00 O ATOM 316 CB LYS A 21 13.789 10.494 10.816 1.00 0.00 C ATOM 317 CG LYS A 21 15.245 10.930 11.052 1.00 0.00 C ATOM 318 CD LYS A 21 16.059 11.063 9.755 1.00 0.00 C ATOM 319 CE LYS A 21 17.345 11.858 10.024 1.00 0.00 C ATOM 320 NZ LYS A 21 18.110 12.142 8.782 1.00 0.00 N ATOM 0 H LYS A 21 11.572 9.594 10.237 1.00 0.00 H new ATOM 0 HA LYS A 21 14.173 9.226 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.280 11.273 10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.286 10.423 11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.250 11.886 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.732 10.206 11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.306 10.075 9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.464 11.565 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.091 12.798 10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.976 11.299 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.968 12.680 9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.378 11.246 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.520 12.699 8.131 1.00 0.00 H new ATOM 334 N GLU A 22 13.480 7.407 11.808 1.00 0.00 N ATOM 335 CA GLU A 22 13.902 6.195 12.500 1.00 0.00 C ATOM 336 C GLU A 22 13.960 5.036 11.497 1.00 0.00 C ATOM 337 O GLU A 22 14.948 4.311 11.461 1.00 0.00 O ATOM 338 CB GLU A 22 12.951 5.904 13.674 1.00 0.00 C ATOM 339 CG GLU A 22 13.452 4.791 14.606 1.00 0.00 C ATOM 340 CD GLU A 22 14.672 5.226 15.439 1.00 0.00 C ATOM 341 OE1 GLU A 22 14.489 5.832 16.520 1.00 0.00 O ATOM 342 OE2 GLU A 22 15.823 4.947 15.038 1.00 0.00 O ATOM 0 H GLU A 22 12.579 7.771 12.120 1.00 0.00 H new ATOM 0 HA GLU A 22 14.900 6.325 12.919 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.811 6.817 14.253 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.974 5.624 13.279 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.646 4.492 15.276 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.714 3.915 14.013 1.00 0.00 H new ATOM 349 N GLU A 23 12.957 4.893 10.625 1.00 0.00 N ATOM 350 CA GLU A 23 12.944 3.889 9.562 1.00 0.00 C ATOM 351 C GLU A 23 14.177 4.027 8.655 1.00 0.00 C ATOM 352 O GLU A 23 14.757 3.016 8.274 1.00 0.00 O ATOM 353 CB GLU A 23 11.631 3.978 8.763 1.00 0.00 C ATOM 354 CG GLU A 23 11.328 2.721 7.933 1.00 0.00 C ATOM 355 CD GLU A 23 10.832 1.546 8.795 1.00 0.00 C ATOM 356 OE1 GLU A 23 9.624 1.495 9.122 1.00 0.00 O ATOM 357 OE2 GLU A 23 11.639 0.652 9.130 1.00 0.00 O ATOM 0 H GLU A 23 12.122 5.479 10.640 1.00 0.00 H new ATOM 0 HA GLU A 23 12.993 2.899 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.807 4.154 9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.679 4.840 8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.574 2.959 7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.228 2.419 7.397 1.00 0.00 H new ATOM 364 N ALA A 24 14.639 5.251 8.376 1.00 0.00 N ATOM 365 CA ALA A 24 15.833 5.525 7.577 1.00 0.00 C ATOM 366 C ALA A 24 17.135 5.053 8.244 1.00 0.00 C ATOM 367 O ALA A 24 18.176 5.011 7.583 1.00 0.00 O ATOM 368 CB ALA A 24 15.920 7.026 7.276 1.00 0.00 C ATOM 0 H ALA A 24 14.179 6.098 8.709 1.00 0.00 H new ATOM 0 HA ALA A 24 15.730 4.954 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.811 7.227 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.035 7.338 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.976 7.582 8.212 1.00 0.00 H new ATOM 374 N LYS A 25 17.103 4.727 9.541 1.00 0.00 N ATOM 375 CA LYS A 25 18.218 4.116 10.263 1.00 0.00 C ATOM 376 C LYS A 25 17.935 2.631 10.496 1.00 0.00 C ATOM 377 O LYS A 25 18.870 1.829 10.471 1.00 0.00 O ATOM 378 CB LYS A 25 18.450 4.844 11.601 1.00 0.00 C ATOM 379 CG LYS A 25 19.408 6.046 11.515 1.00 0.00 C ATOM 380 CD LYS A 25 18.924 7.213 10.638 1.00 0.00 C ATOM 381 CE LYS A 25 19.876 8.418 10.721 1.00 0.00 C ATOM 382 NZ LYS A 25 21.217 8.147 10.137 1.00 0.00 N ATOM 0 H LYS A 25 16.283 4.885 10.127 1.00 0.00 H new ATOM 0 HA LYS A 25 19.124 4.208 9.664 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.489 5.188 11.985 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.846 4.131 12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.586 6.421 12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.367 5.698 11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.845 6.882 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.925 7.515 10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.426 9.265 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.994 8.709 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.811 8.996 10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.664 7.358 10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.114 7.897 9.133 1.00 0.00 H new ATOM 396 N LYS A 26 16.671 2.243 10.701 1.00 0.00 N ATOM 397 CA LYS A 26 16.280 0.848 10.907 1.00 0.00 C ATOM 398 C LYS A 26 16.506 0.034 9.632 1.00 0.00 C ATOM 399 O LYS A 26 16.921 -1.123 9.705 1.00 0.00 O ATOM 400 CB LYS A 26 14.803 0.832 11.321 1.00 0.00 C ATOM 401 CG LYS A 26 14.233 -0.566 11.597 1.00 0.00 C ATOM 402 CD LYS A 26 12.801 -0.443 12.148 1.00 0.00 C ATOM 403 CE LYS A 26 11.917 -1.660 11.844 1.00 0.00 C ATOM 404 NZ LYS A 26 11.662 -1.814 10.389 1.00 0.00 N ATOM 0 H LYS A 26 15.887 2.895 10.728 1.00 0.00 H new ATOM 0 HA LYS A 26 16.888 0.392 11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.683 1.442 12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.213 1.302 10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.231 -1.156 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.865 -1.092 12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.848 -0.299 13.227 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.335 0.448 11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.398 -2.561 12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.967 -1.559 12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.783 -2.350 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.570 -0.875 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.454 -2.325 9.950 1.00 0.00 H new ATOM 418 N ALA A 27 16.243 0.641 8.477 1.00 0.00 N ATOM 419 CA ALA A 27 16.299 0.043 7.156 1.00 0.00 C ATOM 420 C ALA A 27 16.999 1.019 6.206 1.00 0.00 C ATOM 421 O ALA A 27 17.133 2.209 6.495 1.00 0.00 O ATOM 422 CB ALA A 27 14.864 -0.259 6.698 1.00 0.00 C ATOM 0 H ALA A 27 15.969 1.623 8.442 1.00 0.00 H new ATOM 0 HA ALA A 27 16.863 -0.890 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.886 -0.709 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.396 -0.949 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.291 0.667 6.663 1.00 0.00 H new ATOM 428 N ASN A 28 17.441 0.516 5.054 1.00 0.00 N ATOM 429 CA ASN A 28 18.234 1.274 4.077 1.00 0.00 C ATOM 430 C ASN A 28 17.366 2.155 3.160 1.00 0.00 C ATOM 431 O ASN A 28 17.863 2.715 2.181 1.00 0.00 O ATOM 432 CB ASN A 28 19.064 0.286 3.242 1.00 0.00 C ATOM 433 CG ASN A 28 20.179 0.963 2.446 1.00 0.00 C ATOM 434 OD1 ASN A 28 20.218 0.899 1.220 1.00 0.00 O ATOM 435 ND2 ASN A 28 21.131 1.595 3.116 1.00 0.00 N ATOM 0 H ASN A 28 17.257 -0.445 4.765 1.00 0.00 H new ATOM 0 HA ASN A 28 18.887 1.953 4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 28 19.501 -0.462 3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.404 -0.243 2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.903 2.033 2.614 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.092 1.644 4.134 1.00 0.00 H new ATOM 442 N ILE A 29 16.061 2.235 3.430 1.00 0.00 N ATOM 443 CA ILE A 29 15.079 2.885 2.573 1.00 0.00 C ATOM 444 C ILE A 29 15.382 4.380 2.346 1.00 0.00 C ATOM 445 O ILE A 29 16.074 5.031 3.134 1.00 0.00 O ATOM 446 CB ILE A 29 13.649 2.548 3.061 1.00 0.00 C ATOM 447 CG1 ILE A 29 13.317 2.843 4.542 1.00 0.00 C ATOM 448 CG2 ILE A 29 13.384 1.043 2.866 1.00 0.00 C ATOM 449 CD1 ILE A 29 13.339 4.316 4.946 1.00 0.00 C ATOM 0 H ILE A 29 15.652 1.837 4.275 1.00 0.00 H new ATOM 0 HA ILE A 29 15.150 2.478 1.564 1.00 0.00 H new ATOM 0 HB ILE A 29 13.024 3.209 2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 29 12.328 2.440 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.027 2.303 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.378 0.803 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.477 0.791 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 29 14.110 0.468 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.092 4.407 6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.333 4.727 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.608 4.867 4.354 1.00 0.00 H new ATOM 461 N ARG A 30 14.874 4.927 1.236 1.00 0.00 N ATOM 462 CA ARG A 30 15.218 6.251 0.727 1.00 0.00 C ATOM 463 C ARG A 30 14.154 7.256 1.134 1.00 0.00 C ATOM 464 O ARG A 30 13.245 7.584 0.366 1.00 0.00 O ATOM 465 CB ARG A 30 15.449 6.162 -0.795 1.00 0.00 C ATOM 466 CG ARG A 30 15.987 7.475 -1.386 1.00 0.00 C ATOM 467 CD ARG A 30 16.473 7.307 -2.831 1.00 0.00 C ATOM 468 NE ARG A 30 15.380 7.061 -3.786 1.00 0.00 N ATOM 469 CZ ARG A 30 15.426 7.280 -5.106 1.00 0.00 C ATOM 470 NH1 ARG A 30 16.511 7.791 -5.685 1.00 0.00 N ATOM 471 NH2 ARG A 30 14.363 6.974 -5.838 1.00 0.00 N ATOM 0 H ARG A 30 14.192 4.443 0.653 1.00 0.00 H new ATOM 0 HA ARG A 30 16.149 6.610 1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.153 5.357 -1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.512 5.903 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.204 8.233 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.808 7.839 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.015 8.204 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.179 6.478 -2.876 1.00 0.00 H new ATOM 0 HE ARG A 30 14.508 6.690 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.328 8.024 -5.121 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.525 7.950 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.534 6.581 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.375 7.132 -6.846 1.00 0.00 H new ATOM 485 N VAL A 31 14.253 7.735 2.369 1.00 0.00 N ATOM 486 CA VAL A 31 13.428 8.856 2.792 1.00 0.00 C ATOM 487 C VAL A 31 13.783 10.092 1.955 1.00 0.00 C ATOM 488 O VAL A 31 14.955 10.357 1.680 1.00 0.00 O ATOM 489 CB VAL A 31 13.517 9.115 4.306 1.00 0.00 C ATOM 490 CG1 VAL A 31 12.954 7.917 5.077 1.00 0.00 C ATOM 491 CG2 VAL A 31 14.932 9.429 4.815 1.00 0.00 C ATOM 0 H VAL A 31 14.885 7.371 3.082 1.00 0.00 H new ATOM 0 HA VAL A 31 12.382 8.608 2.612 1.00 0.00 H new ATOM 0 HB VAL A 31 12.922 10.010 4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.021 8.109 6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.911 7.764 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.529 7.024 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.902 9.598 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.592 8.589 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.307 10.323 4.318 1.00 0.00 H new ATOM 501 N THR A 32 12.755 10.845 1.572 1.00 0.00 N ATOM 502 CA THR A 32 12.838 12.126 0.887 1.00 0.00 C ATOM 503 C THR A 32 11.644 12.916 1.427 1.00 0.00 C ATOM 504 O THR A 32 10.509 12.439 1.353 1.00 0.00 O ATOM 505 CB THR A 32 12.768 11.925 -0.643 1.00 0.00 C ATOM 506 OG1 THR A 32 13.670 10.926 -1.090 1.00 0.00 O ATOM 507 CG2 THR A 32 13.099 13.219 -1.393 1.00 0.00 C ATOM 0 H THR A 32 11.791 10.560 1.742 1.00 0.00 H new ATOM 0 HA THR A 32 13.776 12.651 1.064 1.00 0.00 H new ATOM 0 HB THR A 32 11.744 11.616 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.594 10.828 -2.062 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.041 13.042 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.386 13.994 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.107 13.543 -1.133 1.00 0.00 H new ATOM 515 N PHE A 33 11.892 14.080 2.024 1.00 0.00 N ATOM 516 CA PHE A 33 10.883 14.822 2.771 1.00 0.00 C ATOM 517 C PHE A 33 10.572 16.111 2.012 1.00 0.00 C ATOM 518 O PHE A 33 11.437 16.985 1.900 1.00 0.00 O ATOM 519 CB PHE A 33 11.406 15.097 4.193 1.00 0.00 C ATOM 520 CG PHE A 33 11.816 13.869 5.000 1.00 0.00 C ATOM 521 CD1 PHE A 33 10.834 12.982 5.476 1.00 0.00 C ATOM 522 CD2 PHE A 33 13.169 13.630 5.315 1.00 0.00 C ATOM 523 CE1 PHE A 33 11.189 11.894 6.292 1.00 0.00 C ATOM 524 CE2 PHE A 33 13.527 12.531 6.121 1.00 0.00 C ATOM 525 CZ PHE A 33 12.535 11.673 6.627 1.00 0.00 C ATOM 0 H PHE A 33 12.804 14.536 2.002 1.00 0.00 H new ATOM 0 HA PHE A 33 9.960 14.250 2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.265 15.764 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.634 15.631 4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.798 13.138 5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.934 14.292 4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.425 11.226 6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.566 12.347 6.351 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.806 10.849 7.270 1.00 0.00 H new ATOM 535 N TRP A 34 9.360 16.227 1.461 1.00 0.00 N ATOM 536 CA TRP A 34 8.908 17.457 0.819 1.00 0.00 C ATOM 537 C TRP A 34 8.379 18.421 1.879 1.00 0.00 C ATOM 538 O TRP A 34 7.787 17.991 2.870 1.00 0.00 O ATOM 539 CB TRP A 34 7.824 17.140 -0.222 1.00 0.00 C ATOM 540 CG TRP A 34 8.387 16.711 -1.545 1.00 0.00 C ATOM 541 CD1 TRP A 34 8.571 17.528 -2.607 1.00 0.00 C ATOM 542 CD2 TRP A 34 8.906 15.408 -1.956 1.00 0.00 C ATOM 543 NE1 TRP A 34 9.178 16.836 -3.634 1.00 0.00 N ATOM 544 CE2 TRP A 34 9.420 15.524 -3.285 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.014 14.141 -1.341 1.00 0.00 C ATOM 546 CZ2 TRP A 34 10.019 14.448 -3.960 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.612 13.057 -2.010 1.00 0.00 C ATOM 548 CH2 TRP A 34 10.114 13.206 -3.314 1.00 0.00 C ATOM 0 H TRP A 34 8.672 15.474 1.449 1.00 0.00 H new ATOM 0 HA TRP A 34 9.745 17.929 0.304 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.177 16.352 0.164 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.200 18.022 -0.368 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.285 18.569 -2.645 1.00 0.00 H new ATOM 0 HE1 TRP A 34 9.418 17.243 -4.538 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.631 14.002 -0.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.401 14.575 -4.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.686 12.100 -1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.572 12.367 -3.817 1.00 0.00 H new ATOM 559 N GLY A 35 8.557 19.726 1.653 1.00 0.00 N ATOM 560 CA GLY A 35 7.911 20.748 2.468 1.00 0.00 C ATOM 561 C GLY A 35 6.412 20.767 2.163 1.00 0.00 C ATOM 562 O GLY A 35 5.589 20.834 3.079 1.00 0.00 O ATOM 0 H GLY A 35 9.147 20.096 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.076 20.543 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.348 21.725 2.260 1.00 0.00 H new ATOM 566 N ASP A 36 6.057 20.642 0.881 1.00 0.00 N ATOM 567 CA ASP A 36 4.710 20.429 0.362 1.00 0.00 C ATOM 568 C ASP A 36 4.836 19.876 -1.053 1.00 0.00 C ATOM 569 O ASP A 36 4.040 18.991 -1.421 1.00 0.00 O ATOM 570 CB ASP A 36 3.912 21.739 0.317 1.00 0.00 C ATOM 571 CG ASP A 36 2.592 21.544 -0.448 1.00 0.00 C ATOM 572 OD1 ASP A 36 1.649 20.940 0.113 1.00 0.00 O ATOM 573 OD2 ASP A 36 2.475 22.029 -1.596 1.00 0.00 O ATOM 574 OXT ASP A 36 5.765 20.306 -1.772 1.00 0.00 O ATOM 0 H ASP A 36 6.749 20.690 0.134 1.00 0.00 H new ATOM 0 HA ASP A 36 4.182 19.736 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.704 22.079 1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.506 22.516 -0.164 1.00 0.00 H new