USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=5 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 180:sc= 0.214 USER MOD Single : A 13 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.862) 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+ -154:sc= 1.34 (180deg=0.85) USER MOD Single : A 28 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.29) USER MOD Single : A 32 THR OG1 : rot -110:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 5 13.850 -1.788 0.204 1.00 0.00 N ATOM 46 CA VAL A 5 14.104 -0.440 -0.298 1.00 0.00 C ATOM 47 C VAL A 5 12.801 0.131 -0.865 1.00 0.00 C ATOM 48 O VAL A 5 12.020 -0.579 -1.506 1.00 0.00 O ATOM 49 CB VAL A 5 15.256 -0.465 -1.331 1.00 0.00 C ATOM 50 CG1 VAL A 5 15.644 0.949 -1.797 1.00 0.00 C ATOM 51 CG2 VAL A 5 16.521 -1.126 -0.750 1.00 0.00 C ATOM 0 HA VAL A 5 14.430 0.218 0.508 1.00 0.00 H new ATOM 0 HB VAL A 5 14.881 -1.042 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.456 0.883 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.782 1.429 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.969 1.538 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 5 17.310 -1.126 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.854 -0.568 0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.295 -2.152 -0.461 1.00 0.00 H new ATOM 61 N ARG A 6 12.568 1.423 -0.616 1.00 0.00 N ATOM 62 CA ARG A 6 11.338 2.125 -0.975 1.00 0.00 C ATOM 63 C ARG A 6 11.639 3.594 -1.270 1.00 0.00 C ATOM 64 O ARG A 6 12.776 4.040 -1.112 1.00 0.00 O ATOM 65 CB ARG A 6 10.325 1.962 0.179 1.00 0.00 C ATOM 66 CG ARG A 6 10.709 2.745 1.451 1.00 0.00 C ATOM 67 CD ARG A 6 10.040 2.173 2.703 1.00 0.00 C ATOM 68 NE ARG A 6 10.643 0.881 3.083 1.00 0.00 N ATOM 69 CZ ARG A 6 10.646 0.350 4.309 1.00 0.00 C ATOM 70 NH1 ARG A 6 9.975 0.918 5.304 1.00 0.00 N ATOM 71 NH2 ARG A 6 11.344 -0.759 4.518 1.00 0.00 N ATOM 0 H ARG A 6 13.248 2.022 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 6 10.905 1.700 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.344 2.294 -0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.235 0.904 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.791 2.723 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.423 3.790 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.138 2.880 3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.973 2.041 2.521 1.00 0.00 H new ATOM 0 HE ARG A 6 11.098 0.346 2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.446 1.774 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.989 0.498 6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.863 -1.187 3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.362 -1.183 5.445 1.00 0.00 H new ATOM 85 N THR A 7 10.603 4.342 -1.634 1.00 0.00 N ATOM 86 CA THR A 7 10.612 5.791 -1.758 1.00 0.00 C ATOM 87 C THR A 7 9.366 6.293 -1.027 1.00 0.00 C ATOM 88 O THR A 7 8.374 5.572 -0.880 1.00 0.00 O ATOM 89 CB THR A 7 10.662 6.176 -3.252 1.00 0.00 C ATOM 90 OG1 THR A 7 11.911 5.784 -3.798 1.00 0.00 O ATOM 91 CG2 THR A 7 10.499 7.676 -3.523 1.00 0.00 C ATOM 0 H THR A 7 9.696 3.935 -1.860 1.00 0.00 H new ATOM 0 HA THR A 7 11.489 6.257 -1.308 1.00 0.00 H new ATOM 0 HB THR A 7 9.819 5.662 -3.713 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.944 6.026 -4.747 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.546 7.859 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.536 8.012 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.299 8.225 -3.026 1.00 0.00 H new ATOM 99 N ILE A 8 9.451 7.531 -0.545 1.00 0.00 N ATOM 100 CA ILE A 8 8.439 8.192 0.276 1.00 0.00 C ATOM 101 C ILE A 8 8.082 9.530 -0.391 1.00 0.00 C ATOM 102 O ILE A 8 8.789 9.965 -1.304 1.00 0.00 O ATOM 103 CB ILE A 8 8.946 8.336 1.739 1.00 0.00 C ATOM 104 CG1 ILE A 8 9.880 9.544 1.939 1.00 0.00 C ATOM 105 CG2 ILE A 8 9.667 7.058 2.221 1.00 0.00 C ATOM 106 CD1 ILE A 8 10.157 9.804 3.419 1.00 0.00 C ATOM 0 H ILE A 8 10.260 8.126 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 8 7.526 7.599 0.340 1.00 0.00 H new ATOM 0 HB ILE A 8 8.050 8.499 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.821 9.367 1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.430 10.430 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.007 7.197 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.979 6.214 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.525 6.860 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.820 10.664 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.218 10.007 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.631 8.927 3.860 1.00 0.00 H new ATOM 118 N TRP A 9 7.033 10.210 0.086 1.00 0.00 N ATOM 119 CA TRP A 9 6.675 11.550 -0.383 1.00 0.00 C ATOM 120 C TRP A 9 6.055 12.385 0.749 1.00 0.00 C ATOM 121 O TRP A 9 5.126 13.165 0.534 1.00 0.00 O ATOM 122 CB TRP A 9 5.814 11.455 -1.662 1.00 0.00 C ATOM 123 CG TRP A 9 6.348 12.242 -2.822 1.00 0.00 C ATOM 124 CD1 TRP A 9 7.049 11.721 -3.854 1.00 0.00 C ATOM 125 CD2 TRP A 9 6.302 13.684 -3.069 1.00 0.00 C ATOM 126 NE1 TRP A 9 7.388 12.718 -4.744 1.00 0.00 N ATOM 127 CE2 TRP A 9 6.962 13.955 -4.307 1.00 0.00 C ATOM 128 CE3 TRP A 9 5.790 14.798 -2.367 1.00 0.00 C ATOM 129 CZ2 TRP A 9 7.080 15.252 -4.830 1.00 0.00 C ATOM 130 CZ3 TRP A 9 5.932 16.107 -2.863 1.00 0.00 C ATOM 131 CH2 TRP A 9 6.564 16.336 -4.098 1.00 0.00 C ATOM 0 H TRP A 9 6.410 9.846 0.807 1.00 0.00 H new ATOM 0 HA TRP A 9 7.575 12.094 -0.670 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.732 10.408 -1.954 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.806 11.802 -1.435 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.306 10.678 -3.965 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.891 12.560 -5.617 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.278 14.641 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.561 15.415 -5.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.553 16.941 -2.291 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.653 17.341 -4.483 1.00 0.00 H new ATOM 142 N VAL A 10 6.527 12.194 1.985 1.00 0.00 N ATOM 143 CA VAL A 10 6.053 12.993 3.113 1.00 0.00 C ATOM 144 C VAL A 10 6.649 14.404 3.036 1.00 0.00 C ATOM 145 O VAL A 10 7.707 14.639 2.436 1.00 0.00 O ATOM 146 CB VAL A 10 6.320 12.296 4.467 1.00 0.00 C ATOM 147 CG1 VAL A 10 5.776 10.858 4.483 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.797 12.302 4.874 1.00 0.00 C ATOM 0 H VAL A 10 7.232 11.497 2.226 1.00 0.00 H new ATOM 0 HA VAL A 10 4.969 13.088 3.047 1.00 0.00 H new ATOM 0 HB VAL A 10 5.781 12.888 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.983 10.401 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.700 10.874 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.259 10.277 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.912 11.797 5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.385 11.783 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.146 13.331 4.962 1.00 0.00 H new ATOM 158 N GLY A 11 5.976 15.331 3.705 1.00 0.00 N ATOM 159 CA GLY A 11 6.445 16.679 3.954 1.00 0.00 C ATOM 160 C GLY A 11 5.511 17.338 4.960 1.00 0.00 C ATOM 161 O GLY A 11 4.357 16.919 5.089 1.00 0.00 O ATOM 0 H GLY A 11 5.054 15.153 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.464 16.660 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.466 17.250 3.026 1.00 0.00 H new ATOM 165 N GLY A 12 6.009 18.334 5.699 1.00 0.00 N ATOM 166 CA GLY A 12 5.244 19.088 6.693 1.00 0.00 C ATOM 167 C GLY A 12 4.503 18.214 7.716 1.00 0.00 C ATOM 168 O GLY A 12 3.448 18.622 8.207 1.00 0.00 O ATOM 0 H GLY A 12 6.977 18.644 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.921 19.755 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.519 19.716 6.176 1.00 0.00 H new ATOM 172 N THR A 13 5.019 17.017 8.018 1.00 0.00 N ATOM 173 CA THR A 13 4.344 16.000 8.818 1.00 0.00 C ATOM 174 C THR A 13 5.388 15.382 9.761 1.00 0.00 C ATOM 175 O THR A 13 5.870 14.273 9.512 1.00 0.00 O ATOM 176 CB THR A 13 3.648 14.972 7.897 1.00 0.00 C ATOM 177 OG1 THR A 13 2.824 15.612 6.940 1.00 0.00 O ATOM 178 CG2 THR A 13 2.748 14.012 8.687 1.00 0.00 C ATOM 0 H THR A 13 5.944 16.725 7.702 1.00 0.00 H new ATOM 0 HA THR A 13 3.548 16.426 9.428 1.00 0.00 H new ATOM 0 HB THR A 13 4.453 14.421 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.385 16.064 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.278 13.306 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.349 13.466 9.415 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.977 14.581 9.207 1.00 0.00 H new ATOM 186 N PRO A 14 5.797 16.092 10.832 1.00 0.00 N ATOM 187 CA PRO A 14 6.818 15.599 11.752 1.00 0.00 C ATOM 188 C PRO A 14 6.405 14.275 12.403 1.00 0.00 C ATOM 189 O PRO A 14 7.260 13.450 12.711 1.00 0.00 O ATOM 190 CB PRO A 14 7.046 16.717 12.775 1.00 0.00 C ATOM 191 CG PRO A 14 5.757 17.535 12.722 1.00 0.00 C ATOM 192 CD PRO A 14 5.307 17.393 11.270 1.00 0.00 C ATOM 0 HA PRO A 14 7.746 15.369 11.229 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.223 16.315 13.773 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.914 17.323 12.517 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.008 17.150 13.414 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.931 18.577 12.988 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.222 17.450 11.189 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.716 18.193 10.653 1.00 0.00 H new ATOM 200 N GLU A 15 5.099 14.037 12.540 1.00 0.00 N ATOM 201 CA GLU A 15 4.540 12.846 13.171 1.00 0.00 C ATOM 202 C GLU A 15 4.892 11.563 12.402 1.00 0.00 C ATOM 203 O GLU A 15 4.793 10.474 12.969 1.00 0.00 O ATOM 204 CB GLU A 15 3.014 12.992 13.299 1.00 0.00 C ATOM 205 CG GLU A 15 2.610 14.158 14.215 1.00 0.00 C ATOM 206 CD GLU A 15 1.085 14.223 14.407 1.00 0.00 C ATOM 207 OE1 GLU A 15 0.392 14.899 13.613 1.00 0.00 O ATOM 208 OE2 GLU A 15 0.559 13.615 15.369 1.00 0.00 O ATOM 0 H GLU A 15 4.386 14.685 12.206 1.00 0.00 H new ATOM 0 HA GLU A 15 4.983 12.757 14.163 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.582 13.145 12.310 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.595 12.065 13.690 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.095 14.045 15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.964 15.096 13.789 1.00 0.00 H new ATOM 215 N GLU A 16 5.317 11.673 11.136 1.00 0.00 N ATOM 216 CA GLU A 16 5.620 10.525 10.286 1.00 0.00 C ATOM 217 C GLU A 16 7.015 10.633 9.690 1.00 0.00 C ATOM 218 O GLU A 16 7.705 9.619 9.612 1.00 0.00 O ATOM 219 CB GLU A 16 4.560 10.365 9.186 1.00 0.00 C ATOM 220 CG GLU A 16 3.190 10.080 9.807 1.00 0.00 C ATOM 221 CD GLU A 16 2.159 9.634 8.754 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.062 8.419 8.469 1.00 0.00 O ATOM 223 OE2 GLU A 16 1.415 10.486 8.216 1.00 0.00 O ATOM 0 H GLU A 16 5.460 12.571 10.674 1.00 0.00 H new ATOM 0 HA GLU A 16 5.597 9.632 10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.512 11.272 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.840 9.551 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.291 9.305 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.828 10.976 10.312 1.00 0.00 H new ATOM 230 N LEU A 17 7.500 11.837 9.363 1.00 0.00 N ATOM 231 CA LEU A 17 8.877 12.003 8.919 1.00 0.00 C ATOM 232 C LEU A 17 9.841 11.607 10.035 1.00 0.00 C ATOM 233 O LEU A 17 10.936 11.160 9.721 1.00 0.00 O ATOM 234 CB LEU A 17 9.134 13.386 8.289 1.00 0.00 C ATOM 235 CG LEU A 17 9.591 14.473 9.271 1.00 0.00 C ATOM 236 CD1 LEU A 17 11.118 14.567 9.416 1.00 0.00 C ATOM 237 CD2 LEU A 17 9.082 15.848 8.822 1.00 0.00 C ATOM 0 H LEU A 17 6.959 12.701 9.399 1.00 0.00 H new ATOM 0 HA LEU A 17 9.071 11.315 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.890 13.279 7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.219 13.721 7.800 1.00 0.00 H new ATOM 0 HG LEU A 17 9.172 14.186 10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.368 15.356 10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.508 13.616 9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.562 14.796 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.415 16.608 9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.476 16.076 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.993 15.839 8.785 1.00 0.00 H new ATOM 249 N LYS A 18 9.444 11.677 11.316 1.00 0.00 N ATOM 250 CA LYS A 18 10.300 11.181 12.397 1.00 0.00 C ATOM 251 C LYS A 18 10.421 9.660 12.338 1.00 0.00 C ATOM 252 O LYS A 18 11.527 9.141 12.476 1.00 0.00 O ATOM 253 CB LYS A 18 9.791 11.645 13.771 1.00 0.00 C ATOM 254 CG LYS A 18 10.136 13.125 14.019 1.00 0.00 C ATOM 255 CD LYS A 18 9.491 13.692 15.292 1.00 0.00 C ATOM 256 CE LYS A 18 10.013 13.007 16.563 1.00 0.00 C ATOM 257 NZ LYS A 18 9.433 13.595 17.797 1.00 0.00 N ATOM 0 H LYS A 18 8.552 12.065 11.621 1.00 0.00 H new ATOM 0 HA LYS A 18 11.295 11.604 12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.711 11.505 13.828 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.234 11.029 14.553 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.218 13.232 14.089 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.812 13.715 13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.689 14.762 15.351 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.409 13.570 15.234 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.776 11.944 16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.099 13.091 16.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.814 13.101 18.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.680 14.604 17.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.398 13.492 17.777 1.00 0.00 H new ATOM 271 N LYS A 19 9.330 8.925 12.097 1.00 0.00 N ATOM 272 CA LYS A 19 9.416 7.465 12.007 1.00 0.00 C ATOM 273 C LYS A 19 10.036 7.021 10.686 1.00 0.00 C ATOM 274 O LYS A 19 10.708 5.993 10.654 1.00 0.00 O ATOM 275 CB LYS A 19 8.059 6.791 12.248 1.00 0.00 C ATOM 276 CG LYS A 19 7.632 6.955 13.719 1.00 0.00 C ATOM 277 CD LYS A 19 6.529 5.974 14.143 1.00 0.00 C ATOM 278 CE LYS A 19 6.960 4.494 14.157 1.00 0.00 C ATOM 279 NZ LYS A 19 8.026 4.190 15.146 1.00 0.00 N ATOM 0 H LYS A 19 8.394 9.308 11.963 1.00 0.00 H new ATOM 0 HA LYS A 19 10.079 7.136 12.807 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.306 7.230 11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.122 5.732 11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.502 6.813 14.361 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.282 7.975 13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.181 6.247 15.139 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.681 6.086 13.467 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.090 3.874 14.372 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.310 4.218 13.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.043 3.167 15.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.947 4.487 14.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.835 4.702 16.031 1.00 0.00 H new ATOM 293 N LEU A 20 9.878 7.779 9.600 1.00 0.00 N ATOM 294 CA LEU A 20 10.580 7.474 8.357 1.00 0.00 C ATOM 295 C LEU A 20 12.066 7.818 8.499 1.00 0.00 C ATOM 296 O LEU A 20 12.898 7.068 7.994 1.00 0.00 O ATOM 297 CB LEU A 20 9.888 8.132 7.152 1.00 0.00 C ATOM 298 CG LEU A 20 8.456 7.588 6.918 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.801 8.282 5.728 1.00 0.00 C ATOM 300 CD2 LEU A 20 8.410 6.071 6.674 1.00 0.00 C ATOM 0 H LEU A 20 9.275 8.601 9.557 1.00 0.00 H new ATOM 0 HA LEU A 20 10.531 6.403 8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.842 9.210 7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.487 7.964 6.257 1.00 0.00 H new ATOM 0 HG LEU A 20 7.913 7.799 7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.797 7.884 5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.743 9.354 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.395 8.105 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.377 5.759 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.000 5.826 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.819 5.551 7.540 1.00 0.00 H new ATOM 312 N LYS A 21 12.432 8.876 9.240 1.00 0.00 N ATOM 313 CA LYS A 21 13.838 9.115 9.603 1.00 0.00 C ATOM 314 C LYS A 21 14.373 7.933 10.411 1.00 0.00 C ATOM 315 O LYS A 21 15.472 7.460 10.136 1.00 0.00 O ATOM 316 CB LYS A 21 14.006 10.405 10.432 1.00 0.00 C ATOM 317 CG LYS A 21 14.274 11.674 9.612 1.00 0.00 C ATOM 318 CD LYS A 21 15.691 11.687 9.014 1.00 0.00 C ATOM 319 CE LYS A 21 15.996 13.078 8.440 1.00 0.00 C ATOM 320 NZ LYS A 21 17.373 13.176 7.889 1.00 0.00 N ATOM 0 H LYS A 21 11.780 9.574 9.597 1.00 0.00 H new ATOM 0 HA LYS A 21 14.400 9.228 8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.104 10.558 11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.828 10.264 11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.541 11.748 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.141 12.550 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.422 11.431 9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.773 10.933 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.276 13.309 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.867 13.827 9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.530 14.133 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.063 12.982 8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.491 12.481 7.124 1.00 0.00 H new ATOM 334 N GLU A 22 13.606 7.452 11.392 1.00 0.00 N ATOM 335 CA GLU A 22 13.970 6.303 12.209 1.00 0.00 C ATOM 336 C GLU A 22 14.203 5.083 11.311 1.00 0.00 C ATOM 337 O GLU A 22 15.235 4.435 11.437 1.00 0.00 O ATOM 338 CB GLU A 22 12.879 6.082 13.270 1.00 0.00 C ATOM 339 CG GLU A 22 13.070 4.847 14.158 1.00 0.00 C ATOM 340 CD GLU A 22 11.950 4.747 15.213 1.00 0.00 C ATOM 341 OE1 GLU A 22 10.755 4.662 14.844 1.00 0.00 O ATOM 342 OE2 GLU A 22 12.261 4.741 16.427 1.00 0.00 O ATOM 0 H GLU A 22 12.704 7.858 11.641 1.00 0.00 H new ATOM 0 HA GLU A 22 14.906 6.478 12.739 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.832 6.964 13.908 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.916 6.001 12.766 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.075 3.948 13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.039 4.898 14.655 1.00 0.00 H new ATOM 349 N GLU A 23 13.322 4.805 10.348 1.00 0.00 N ATOM 350 CA GLU A 23 13.479 3.713 9.393 1.00 0.00 C ATOM 351 C GLU A 23 14.753 3.899 8.562 1.00 0.00 C ATOM 352 O GLU A 23 15.503 2.943 8.390 1.00 0.00 O ATOM 353 CB GLU A 23 12.231 3.618 8.499 1.00 0.00 C ATOM 354 CG GLU A 23 12.194 2.348 7.635 1.00 0.00 C ATOM 355 CD GLU A 23 11.702 1.091 8.374 1.00 0.00 C ATOM 356 OE1 GLU A 23 12.349 0.655 9.352 1.00 0.00 O ATOM 357 OE2 GLU A 23 10.688 0.500 7.937 1.00 0.00 O ATOM 0 H GLU A 23 12.466 5.343 10.210 1.00 0.00 H new ATOM 0 HA GLU A 23 13.581 2.774 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.340 3.647 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.192 4.492 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.547 2.526 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.195 2.158 7.247 1.00 0.00 H new ATOM 364 N ALA A 24 15.056 5.123 8.119 1.00 0.00 N ATOM 365 CA ALA A 24 16.269 5.450 7.369 1.00 0.00 C ATOM 366 C ALA A 24 17.557 5.358 8.201 1.00 0.00 C ATOM 367 O ALA A 24 18.649 5.574 7.668 1.00 0.00 O ATOM 368 CB ALA A 24 16.124 6.850 6.772 1.00 0.00 C ATOM 0 H ALA A 24 14.452 5.929 8.276 1.00 0.00 H new ATOM 0 HA ALA A 24 16.370 4.701 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.024 7.101 6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.262 6.874 6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.982 7.575 7.574 1.00 0.00 H new ATOM 374 N LYS A 25 17.448 5.060 9.499 1.00 0.00 N ATOM 375 CA LYS A 25 18.574 4.839 10.406 1.00 0.00 C ATOM 376 C LYS A 25 18.540 3.402 10.935 1.00 0.00 C ATOM 377 O LYS A 25 19.590 2.845 11.253 1.00 0.00 O ATOM 378 CB LYS A 25 18.517 5.879 11.540 1.00 0.00 C ATOM 379 CG LYS A 25 18.758 7.315 11.029 1.00 0.00 C ATOM 380 CD LYS A 25 18.405 8.398 12.059 1.00 0.00 C ATOM 381 CE LYS A 25 19.320 8.338 13.292 1.00 0.00 C ATOM 382 NZ LYS A 25 19.021 9.415 14.269 1.00 0.00 N ATOM 0 H LYS A 25 16.544 4.963 9.961 1.00 0.00 H new ATOM 0 HA LYS A 25 19.520 4.966 9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.544 5.828 12.029 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.265 5.633 12.294 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.805 7.421 10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.167 7.476 10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.486 9.381 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.368 8.278 12.371 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.208 7.369 13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.360 8.417 12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.663 9.333 15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.153 10.342 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.037 9.326 14.594 1.00 0.00 H new ATOM 396 N LYS A 26 17.359 2.777 10.987 1.00 0.00 N ATOM 397 CA LYS A 26 17.174 1.371 11.333 1.00 0.00 C ATOM 398 C LYS A 26 17.661 0.494 10.182 1.00 0.00 C ATOM 399 O LYS A 26 18.301 -0.530 10.418 1.00 0.00 O ATOM 400 CB LYS A 26 15.679 1.161 11.605 1.00 0.00 C ATOM 401 CG LYS A 26 15.261 -0.283 11.912 1.00 0.00 C ATOM 402 CD LYS A 26 13.794 -0.303 12.378 1.00 0.00 C ATOM 403 CE LYS A 26 13.058 -1.610 12.051 1.00 0.00 C ATOM 404 NZ LYS A 26 12.839 -1.772 10.593 1.00 0.00 N ATOM 0 H LYS A 26 16.481 3.254 10.782 1.00 0.00 H new ATOM 0 HA LYS A 26 17.749 1.097 12.218 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.388 1.792 12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.117 1.507 10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.381 -0.904 11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.905 -0.703 12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.762 -0.139 13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.263 0.528 11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.634 -2.455 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.098 -1.624 12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.008 -2.376 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.679 -0.840 10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.677 -2.214 10.163 1.00 0.00 H new ATOM 418 N ALA A 27 17.378 0.914 8.949 1.00 0.00 N ATOM 419 CA ALA A 27 17.768 0.255 7.715 1.00 0.00 C ATOM 420 C ALA A 27 18.335 1.301 6.750 1.00 0.00 C ATOM 421 O ALA A 27 18.196 2.507 6.951 1.00 0.00 O ATOM 422 CB ALA A 27 16.548 -0.463 7.119 1.00 0.00 C ATOM 0 H ALA A 27 16.843 1.766 8.782 1.00 0.00 H new ATOM 0 HA ALA A 27 18.540 -0.491 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.835 -0.960 6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.179 -1.204 7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.763 0.264 6.913 1.00 0.00 H new ATOM 428 N ASN A 28 18.965 0.824 5.677 1.00 0.00 N ATOM 429 CA ASN A 28 19.671 1.647 4.687 1.00 0.00 C ATOM 430 C ASN A 28 18.724 2.328 3.681 1.00 0.00 C ATOM 431 O ASN A 28 19.182 2.935 2.712 1.00 0.00 O ATOM 432 CB ASN A 28 20.676 0.742 3.948 1.00 0.00 C ATOM 433 CG ASN A 28 21.656 1.515 3.065 1.00 0.00 C ATOM 434 OD1 ASN A 28 21.691 1.342 1.849 1.00 0.00 O ATOM 435 ND2 ASN A 28 22.496 2.356 3.650 1.00 0.00 N ATOM 0 H ASN A 28 19.001 -0.173 5.464 1.00 0.00 H new ATOM 0 HA ASN A 28 20.179 2.456 5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 28 21.238 0.162 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 28 20.127 0.030 3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 28 23.179 2.866 3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 28 22.460 2.493 4.660 1.00 0.00 H new ATOM 442 N ILE A 29 17.407 2.177 3.855 1.00 0.00 N ATOM 443 CA ILE A 29 16.404 2.576 2.872 1.00 0.00 C ATOM 444 C ILE A 29 16.449 4.078 2.544 1.00 0.00 C ATOM 445 O ILE A 29 16.866 4.912 3.353 1.00 0.00 O ATOM 446 CB ILE A 29 15.005 2.042 3.267 1.00 0.00 C ATOM 447 CG1 ILE A 29 14.437 2.460 4.646 1.00 0.00 C ATOM 448 CG2 ILE A 29 15.068 0.501 3.292 1.00 0.00 C ATOM 449 CD1 ILE A 29 14.051 3.930 4.812 1.00 0.00 C ATOM 0 H ILE A 29 17.005 1.767 4.698 1.00 0.00 H new ATOM 0 HA ILE A 29 16.652 2.100 1.923 1.00 0.00 H new ATOM 0 HB ILE A 29 14.344 2.482 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.556 1.852 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 29 15.177 2.214 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.092 0.101 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 29 15.345 0.132 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 29 15.812 0.179 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.668 4.094 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.928 4.557 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.282 4.189 4.084 1.00 0.00 H new ATOM 461 N ARG A 30 16.035 4.414 1.318 1.00 0.00 N ATOM 462 CA ARG A 30 15.962 5.787 0.829 1.00 0.00 C ATOM 463 C ARG A 30 14.753 6.476 1.457 1.00 0.00 C ATOM 464 O ARG A 30 13.692 5.870 1.602 1.00 0.00 O ATOM 465 CB ARG A 30 15.916 5.744 -0.715 1.00 0.00 C ATOM 466 CG ARG A 30 15.669 7.087 -1.425 1.00 0.00 C ATOM 467 CD ARG A 30 14.177 7.361 -1.673 1.00 0.00 C ATOM 468 NE ARG A 30 13.984 8.692 -2.269 1.00 0.00 N ATOM 469 CZ ARG A 30 13.839 8.988 -3.566 1.00 0.00 C ATOM 470 NH1 ARG A 30 13.616 8.041 -4.474 1.00 0.00 N ATOM 471 NH2 ARG A 30 13.917 10.264 -3.925 1.00 0.00 N ATOM 0 H ARG A 30 15.737 3.724 0.628 1.00 0.00 H new ATOM 0 HA ARG A 30 16.836 6.373 1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.860 5.335 -1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 30 15.132 5.048 -1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.087 7.894 -0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.199 7.092 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.767 6.598 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.629 7.295 -0.733 1.00 0.00 H new ATOM 0 HE ARG A 30 13.958 9.478 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.552 7.064 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.509 8.292 -5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.083 10.983 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.811 10.525 -4.905 1.00 0.00 H new ATOM 485 N VAL A 31 14.901 7.766 1.747 1.00 0.00 N ATOM 486 CA VAL A 31 13.837 8.676 2.154 1.00 0.00 C ATOM 487 C VAL A 31 14.142 10.036 1.526 1.00 0.00 C ATOM 488 O VAL A 31 15.302 10.356 1.251 1.00 0.00 O ATOM 489 CB VAL A 31 13.724 8.769 3.696 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.191 7.467 4.312 1.00 0.00 C ATOM 491 CG2 VAL A 31 15.055 9.132 4.377 1.00 0.00 C ATOM 0 H VAL A 31 15.810 8.226 1.702 1.00 0.00 H new ATOM 0 HA VAL A 31 12.870 8.309 1.809 1.00 0.00 H new ATOM 0 HB VAL A 31 13.014 9.576 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.128 7.576 5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.201 7.253 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.866 6.646 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.910 9.182 5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.801 8.372 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.398 10.100 4.012 1.00 0.00 H new ATOM 501 N THR A 32 13.100 10.830 1.305 1.00 0.00 N ATOM 502 CA THR A 32 13.203 12.216 0.848 1.00 0.00 C ATOM 503 C THR A 32 12.045 12.987 1.482 1.00 0.00 C ATOM 504 O THR A 32 10.943 12.453 1.609 1.00 0.00 O ATOM 505 CB THR A 32 13.166 12.272 -0.693 1.00 0.00 C ATOM 506 OG1 THR A 32 14.115 11.382 -1.259 1.00 0.00 O ATOM 507 CG2 THR A 32 13.464 13.664 -1.256 1.00 0.00 C ATOM 0 H THR A 32 12.137 10.523 1.441 1.00 0.00 H new ATOM 0 HA THR A 32 14.148 12.667 1.150 1.00 0.00 H new ATOM 0 HB THR A 32 12.147 11.990 -0.960 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.840 11.896 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.422 13.633 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.724 14.373 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.459 13.979 -0.940 1.00 0.00 H new ATOM 515 N PHE A 33 12.295 14.231 1.891 1.00 0.00 N ATOM 516 CA PHE A 33 11.371 15.011 2.704 1.00 0.00 C ATOM 517 C PHE A 33 11.162 16.362 2.028 1.00 0.00 C ATOM 518 O PHE A 33 12.099 17.161 1.933 1.00 0.00 O ATOM 519 CB PHE A 33 11.951 15.157 4.122 1.00 0.00 C ATOM 520 CG PHE A 33 12.321 13.844 4.797 1.00 0.00 C ATOM 521 CD1 PHE A 33 11.309 12.983 5.249 1.00 0.00 C ATOM 522 CD2 PHE A 33 13.671 13.474 4.970 1.00 0.00 C ATOM 523 CE1 PHE A 33 11.629 11.785 5.910 1.00 0.00 C ATOM 524 CE2 PHE A 33 13.992 12.262 5.608 1.00 0.00 C ATOM 525 CZ PHE A 33 12.972 11.425 6.095 1.00 0.00 C ATOM 0 H PHE A 33 13.156 14.728 1.663 1.00 0.00 H new ATOM 0 HA PHE A 33 10.403 14.518 2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.839 15.787 4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.224 15.678 4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.274 13.244 5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.458 14.121 4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.842 11.142 6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.026 11.973 5.724 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.222 10.509 6.609 1.00 0.00 H new ATOM 535 N TRP A 34 9.955 16.605 1.516 1.00 0.00 N ATOM 536 CA TRP A 34 9.617 17.856 0.847 1.00 0.00 C ATOM 537 C TRP A 34 9.151 18.902 1.861 1.00 0.00 C ATOM 538 O TRP A 34 8.617 18.567 2.920 1.00 0.00 O ATOM 539 CB TRP A 34 8.549 17.591 -0.226 1.00 0.00 C ATOM 540 CG TRP A 34 9.109 16.990 -1.481 1.00 0.00 C ATOM 541 CD1 TRP A 34 9.449 17.688 -2.587 1.00 0.00 C ATOM 542 CD2 TRP A 34 9.464 15.600 -1.769 1.00 0.00 C ATOM 543 NE1 TRP A 34 9.990 16.841 -3.532 1.00 0.00 N ATOM 544 CE2 TRP A 34 10.033 15.540 -3.079 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.386 14.384 -1.054 1.00 0.00 C ATOM 546 CZ2 TRP A 34 10.497 14.344 -3.647 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.859 13.182 -1.612 1.00 0.00 C ATOM 548 CH2 TRP A 34 10.406 13.155 -2.906 1.00 0.00 C ATOM 0 H TRP A 34 9.185 15.937 1.555 1.00 0.00 H new ATOM 0 HA TRP A 34 10.505 18.256 0.357 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.791 16.923 0.182 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.049 18.528 -0.471 1.00 0.00 H new ATOM 0 HD1 TRP A 34 9.317 18.752 -2.713 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.317 17.140 -4.451 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.956 14.377 -0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.919 14.338 -4.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.801 12.269 -1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.755 12.224 -3.328 1.00 0.00 H new ATOM 559 N GLY A 35 9.281 20.180 1.500 1.00 0.00 N ATOM 560 CA GLY A 35 8.708 21.306 2.233 1.00 0.00 C ATOM 561 C GLY A 35 7.248 21.501 1.821 1.00 0.00 C ATOM 562 O GLY A 35 6.862 22.602 1.422 1.00 0.00 O ATOM 0 H GLY A 35 9.800 20.465 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.772 21.124 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.278 22.213 2.029 1.00 0.00 H new ATOM 566 N ASP A 36 6.475 20.411 1.812 1.00 0.00 N ATOM 567 CA ASP A 36 5.094 20.367 1.328 1.00 0.00 C ATOM 568 C ASP A 36 4.218 21.401 2.037 1.00 0.00 C ATOM 569 O ASP A 36 3.482 22.130 1.343 1.00 0.00 O ATOM 570 CB ASP A 36 4.491 18.971 1.508 1.00 0.00 C ATOM 571 CG ASP A 36 3.010 18.981 1.092 1.00 0.00 C ATOM 572 OD1 ASP A 36 2.725 19.008 -0.127 1.00 0.00 O ATOM 573 OD2 ASP A 36 2.124 18.937 1.974 1.00 0.00 O ATOM 574 OXT ASP A 36 4.277 21.493 3.282 1.00 0.00 O ATOM 0 H ASP A 36 6.804 19.508 2.152 1.00 0.00 H new ATOM 0 HA ASP A 36 5.121 20.607 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.041 18.248 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.583 18.657 2.548 1.00 0.00 H new