USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=4 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 155:sc= 0.673 USER MOD Single : A 13 THR OG1 : rot 177:sc= 1.34 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -167:sc= 1.22 (180deg=1.17) USER MOD Single : A 28 ASN : amide:sc= 0.734 K(o=0.73,f=-0.038) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0772 USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 5 13.347 -1.474 1.060 1.00 0.00 N ATOM 46 CA VAL A 5 13.893 -0.281 0.420 1.00 0.00 C ATOM 47 C VAL A 5 12.838 0.250 -0.548 1.00 0.00 C ATOM 48 O VAL A 5 12.343 -0.466 -1.423 1.00 0.00 O ATOM 49 CB VAL A 5 15.249 -0.564 -0.262 1.00 0.00 C ATOM 50 CG1 VAL A 5 15.855 0.702 -0.892 1.00 0.00 C ATOM 51 CG2 VAL A 5 16.273 -1.146 0.728 1.00 0.00 C ATOM 0 HA VAL A 5 14.111 0.483 1.166 1.00 0.00 H new ATOM 0 HB VAL A 5 15.039 -1.292 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.808 0.455 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.172 1.096 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 5 16.015 1.453 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 5 17.214 -1.332 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.438 -0.437 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.893 -2.082 1.136 1.00 0.00 H new ATOM 61 N ARG A 6 12.492 1.515 -0.348 1.00 0.00 N ATOM 62 CA ARG A 6 11.502 2.276 -1.094 1.00 0.00 C ATOM 63 C ARG A 6 11.881 3.748 -0.946 1.00 0.00 C ATOM 64 O ARG A 6 12.852 4.052 -0.248 1.00 0.00 O ATOM 65 CB ARG A 6 10.098 1.951 -0.541 1.00 0.00 C ATOM 66 CG ARG A 6 9.881 2.411 0.913 1.00 0.00 C ATOM 67 CD ARG A 6 8.738 1.625 1.566 1.00 0.00 C ATOM 68 NE ARG A 6 8.429 2.140 2.911 1.00 0.00 N ATOM 69 CZ ARG A 6 9.152 1.954 4.024 1.00 0.00 C ATOM 70 NH1 ARG A 6 10.257 1.214 4.025 1.00 0.00 N ATOM 71 NH2 ARG A 6 8.759 2.524 5.156 1.00 0.00 N ATOM 0 H ARG A 6 12.925 2.072 0.389 1.00 0.00 H new ATOM 0 HA ARG A 6 11.481 2.024 -2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.349 2.423 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.934 0.875 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.798 2.271 1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.653 3.477 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.849 1.685 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.010 0.572 1.632 1.00 0.00 H new ATOM 0 HE ARG A 6 7.578 2.695 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.574 0.770 3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.787 1.090 4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.915 3.096 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.301 2.390 6.010 1.00 0.00 H new ATOM 85 N THR A 7 11.101 4.637 -1.549 1.00 0.00 N ATOM 86 CA THR A 7 11.253 6.081 -1.435 1.00 0.00 C ATOM 87 C THR A 7 9.882 6.650 -1.072 1.00 0.00 C ATOM 88 O THR A 7 8.843 6.053 -1.376 1.00 0.00 O ATOM 89 CB THR A 7 11.824 6.640 -2.754 1.00 0.00 C ATOM 90 OG1 THR A 7 12.966 5.893 -3.141 1.00 0.00 O ATOM 91 CG2 THR A 7 12.237 8.112 -2.659 1.00 0.00 C ATOM 0 H THR A 7 10.322 4.364 -2.149 1.00 0.00 H new ATOM 0 HA THR A 7 11.959 6.368 -0.656 1.00 0.00 H new ATOM 0 HB THR A 7 11.022 6.558 -3.488 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.086 5.958 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.630 8.442 -3.620 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.370 8.717 -2.394 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.006 8.226 -1.894 1.00 0.00 H new ATOM 99 N ILE A 8 9.894 7.793 -0.390 1.00 0.00 N ATOM 100 CA ILE A 8 8.713 8.424 0.203 1.00 0.00 C ATOM 101 C ILE A 8 8.499 9.787 -0.473 1.00 0.00 C ATOM 102 O ILE A 8 9.400 10.285 -1.149 1.00 0.00 O ATOM 103 CB ILE A 8 8.852 8.489 1.753 1.00 0.00 C ATOM 104 CG1 ILE A 8 9.587 9.745 2.251 1.00 0.00 C ATOM 105 CG2 ILE A 8 9.545 7.229 2.310 1.00 0.00 C ATOM 106 CD1 ILE A 8 9.586 9.849 3.775 1.00 0.00 C ATOM 0 H ILE A 8 10.750 8.323 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 8 7.815 7.833 0.025 1.00 0.00 H new ATOM 0 HB ILE A 8 7.831 8.540 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.616 9.729 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.115 10.632 1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.626 7.307 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.958 6.347 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.542 7.141 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.116 10.752 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.558 9.893 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.082 8.976 4.200 1.00 0.00 H new ATOM 118 N TRP A 9 7.333 10.405 -0.266 1.00 0.00 N ATOM 119 CA TRP A 9 7.005 11.728 -0.805 1.00 0.00 C ATOM 120 C TRP A 9 6.140 12.497 0.210 1.00 0.00 C ATOM 121 O TRP A 9 5.187 13.190 -0.150 1.00 0.00 O ATOM 122 CB TRP A 9 6.381 11.575 -2.211 1.00 0.00 C ATOM 123 CG TRP A 9 6.976 12.434 -3.293 1.00 0.00 C ATOM 124 CD1 TRP A 9 7.747 11.966 -4.301 1.00 0.00 C ATOM 125 CD2 TRP A 9 6.877 13.880 -3.518 1.00 0.00 C ATOM 126 NE1 TRP A 9 8.116 12.999 -5.135 1.00 0.00 N ATOM 127 CE2 TRP A 9 7.610 14.205 -4.702 1.00 0.00 C ATOM 128 CE3 TRP A 9 6.246 14.957 -2.855 1.00 0.00 C ATOM 129 CZ2 TRP A 9 7.703 15.514 -5.200 1.00 0.00 C ATOM 130 CZ3 TRP A 9 6.345 16.277 -3.335 1.00 0.00 C ATOM 131 CH2 TRP A 9 7.068 16.557 -4.507 1.00 0.00 C ATOM 0 H TRP A 9 6.581 9.995 0.288 1.00 0.00 H new ATOM 0 HA TRP A 9 7.900 12.334 -0.947 1.00 0.00 H new ATOM 0 HB2 TRP A 9 6.468 10.532 -2.514 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.317 11.799 -2.141 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.032 10.933 -4.433 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.692 12.885 -5.969 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.675 14.763 -1.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.256 15.716 -6.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.862 17.080 -2.799 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.135 17.571 -4.873 1.00 0.00 H new ATOM 142 N VAL A 10 6.416 12.312 1.507 1.00 0.00 N ATOM 143 CA VAL A 10 5.659 12.961 2.574 1.00 0.00 C ATOM 144 C VAL A 10 5.950 14.467 2.565 1.00 0.00 C ATOM 145 O VAL A 10 7.055 14.906 2.223 1.00 0.00 O ATOM 146 CB VAL A 10 5.938 12.292 3.941 1.00 0.00 C ATOM 147 CG1 VAL A 10 5.647 10.783 3.894 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.369 12.522 4.442 1.00 0.00 C ATOM 0 H VAL A 10 7.168 11.710 1.841 1.00 0.00 H new ATOM 0 HA VAL A 10 4.591 12.835 2.397 1.00 0.00 H new ATOM 0 HB VAL A 10 5.260 12.772 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.853 10.342 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.600 10.622 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.282 10.313 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.501 12.028 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.077 12.110 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.547 13.591 4.555 1.00 0.00 H new ATOM 158 N GLY A 11 4.968 15.255 3.002 1.00 0.00 N ATOM 159 CA GLY A 11 5.044 16.709 3.072 1.00 0.00 C ATOM 160 C GLY A 11 5.768 17.179 4.334 1.00 0.00 C ATOM 161 O GLY A 11 5.290 18.096 5.006 1.00 0.00 O ATOM 0 H GLY A 11 4.074 14.886 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.563 17.089 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.038 17.127 3.053 1.00 0.00 H new ATOM 165 N GLY A 12 6.873 16.514 4.694 1.00 0.00 N ATOM 166 CA GLY A 12 7.648 16.805 5.894 1.00 0.00 C ATOM 167 C GLY A 12 6.793 16.704 7.157 1.00 0.00 C ATOM 168 O GLY A 12 6.959 17.502 8.079 1.00 0.00 O ATOM 0 H GLY A 12 7.256 15.745 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.485 16.110 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.071 17.807 5.820 1.00 0.00 H new ATOM 172 N THR A 13 5.839 15.771 7.179 1.00 0.00 N ATOM 173 CA THR A 13 4.870 15.609 8.245 1.00 0.00 C ATOM 174 C THR A 13 5.615 15.236 9.532 1.00 0.00 C ATOM 175 O THR A 13 6.315 14.218 9.533 1.00 0.00 O ATOM 176 CB THR A 13 3.861 14.511 7.841 1.00 0.00 C ATOM 177 OG1 THR A 13 3.756 14.364 6.435 1.00 0.00 O ATOM 178 CG2 THR A 13 2.468 14.795 8.409 1.00 0.00 C ATOM 0 H THR A 13 5.723 15.090 6.428 1.00 0.00 H new ATOM 0 HA THR A 13 4.320 16.534 8.418 1.00 0.00 H new ATOM 0 HB THR A 13 4.248 13.583 8.262 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.145 13.626 6.228 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.783 14.003 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.520 14.833 9.497 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.108 15.751 8.029 1.00 0.00 H new ATOM 186 N PRO A 14 5.450 15.966 10.651 1.00 0.00 N ATOM 187 CA PRO A 14 6.072 15.583 11.916 1.00 0.00 C ATOM 188 C PRO A 14 5.504 14.258 12.443 1.00 0.00 C ATOM 189 O PRO A 14 6.134 13.598 13.264 1.00 0.00 O ATOM 190 CB PRO A 14 5.814 16.752 12.871 1.00 0.00 C ATOM 191 CG PRO A 14 4.535 17.388 12.327 1.00 0.00 C ATOM 192 CD PRO A 14 4.649 17.171 10.818 1.00 0.00 C ATOM 0 HA PRO A 14 7.141 15.403 11.804 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.686 16.410 13.898 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.644 17.459 12.872 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.644 16.912 12.736 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.474 18.447 12.578 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.665 17.053 10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.122 18.026 10.334 1.00 0.00 H new ATOM 200 N GLU A 15 4.337 13.840 11.946 1.00 0.00 N ATOM 201 CA GLU A 15 3.693 12.589 12.318 1.00 0.00 C ATOM 202 C GLU A 15 4.355 11.395 11.612 1.00 0.00 C ATOM 203 O GLU A 15 4.073 10.249 11.966 1.00 0.00 O ATOM 204 CB GLU A 15 2.192 12.651 11.981 1.00 0.00 C ATOM 205 CG GLU A 15 1.457 13.744 12.770 1.00 0.00 C ATOM 206 CD GLU A 15 -0.060 13.708 12.507 1.00 0.00 C ATOM 207 OE1 GLU A 15 -0.791 12.983 13.221 1.00 0.00 O ATOM 208 OE2 GLU A 15 -0.544 14.421 11.599 1.00 0.00 O ATOM 0 H GLU A 15 3.807 14.377 11.260 1.00 0.00 H new ATOM 0 HA GLU A 15 3.810 12.447 13.392 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.070 12.834 10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.735 11.684 12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.646 13.614 13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.852 14.722 12.493 1.00 0.00 H new ATOM 215 N GLU A 16 5.222 11.643 10.620 1.00 0.00 N ATOM 216 CA GLU A 16 5.749 10.605 9.738 1.00 0.00 C ATOM 217 C GLU A 16 7.267 10.641 9.754 1.00 0.00 C ATOM 218 O GLU A 16 7.890 9.607 9.987 1.00 0.00 O ATOM 219 CB GLU A 16 5.204 10.776 8.311 1.00 0.00 C ATOM 220 CG GLU A 16 3.674 10.707 8.301 1.00 0.00 C ATOM 221 CD GLU A 16 3.099 10.748 6.874 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.025 11.849 6.281 1.00 0.00 O ATOM 223 OE2 GLU A 16 2.689 9.685 6.353 1.00 0.00 O ATOM 0 H GLU A 16 5.576 12.576 10.410 1.00 0.00 H new ATOM 0 HA GLU A 16 5.421 9.630 10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.532 11.732 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.612 9.998 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.350 9.791 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.271 11.540 8.877 1.00 0.00 H new ATOM 230 N LEU A 17 7.885 11.820 9.613 1.00 0.00 N ATOM 231 CA LEU A 17 9.344 11.931 9.672 1.00 0.00 C ATOM 232 C LEU A 17 9.899 11.383 10.987 1.00 0.00 C ATOM 233 O LEU A 17 11.010 10.861 10.995 1.00 0.00 O ATOM 234 CB LEU A 17 9.846 13.347 9.334 1.00 0.00 C ATOM 235 CG LEU A 17 9.652 14.362 10.470 1.00 0.00 C ATOM 236 CD1 LEU A 17 10.851 14.461 11.427 1.00 0.00 C ATOM 237 CD2 LEU A 17 9.400 15.761 9.900 1.00 0.00 C ATOM 0 H LEU A 17 7.400 12.704 9.458 1.00 0.00 H new ATOM 0 HA LEU A 17 9.747 11.294 8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.905 13.296 9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.324 13.705 8.447 1.00 0.00 H new ATOM 0 HG LEU A 17 8.795 13.996 11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.638 15.198 12.202 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.029 13.490 11.889 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.737 14.766 10.870 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.265 16.468 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.253 16.066 9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.503 15.746 9.281 1.00 0.00 H new ATOM 249 N LYS A 18 9.120 11.419 12.077 1.00 0.00 N ATOM 250 CA LYS A 18 9.580 10.904 13.371 1.00 0.00 C ATOM 251 C LYS A 18 9.740 9.377 13.379 1.00 0.00 C ATOM 252 O LYS A 18 10.385 8.855 14.288 1.00 0.00 O ATOM 253 CB LYS A 18 8.664 11.383 14.510 1.00 0.00 C ATOM 254 CG LYS A 18 8.906 12.872 14.821 1.00 0.00 C ATOM 255 CD LYS A 18 8.031 13.401 15.970 1.00 0.00 C ATOM 256 CE LYS A 18 8.413 12.782 17.323 1.00 0.00 C ATOM 257 NZ LYS A 18 7.607 13.334 18.440 1.00 0.00 N ATOM 0 H LYS A 18 8.173 11.798 12.087 1.00 0.00 H new ATOM 0 HA LYS A 18 10.575 11.315 13.540 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.621 11.230 14.232 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.846 10.786 15.404 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.956 13.017 15.076 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.711 13.460 13.924 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.127 14.485 16.028 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.984 13.185 15.756 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.276 11.702 17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.470 12.961 17.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.899 12.888 19.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.757 14.361 18.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.599 13.141 18.270 1.00 0.00 H new ATOM 271 N LYS A 19 9.206 8.659 12.384 1.00 0.00 N ATOM 272 CA LYS A 19 9.407 7.217 12.226 1.00 0.00 C ATOM 273 C LYS A 19 10.260 6.966 10.990 1.00 0.00 C ATOM 274 O LYS A 19 11.197 6.174 11.041 1.00 0.00 O ATOM 275 CB LYS A 19 8.051 6.499 12.114 1.00 0.00 C ATOM 276 CG LYS A 19 7.214 6.624 13.397 1.00 0.00 C ATOM 277 CD LYS A 19 5.890 5.858 13.270 1.00 0.00 C ATOM 278 CE LYS A 19 5.073 6.004 14.561 1.00 0.00 C ATOM 279 NZ LYS A 19 3.781 5.274 14.494 1.00 0.00 N ATOM 0 H LYS A 19 8.616 9.069 11.659 1.00 0.00 H new ATOM 0 HA LYS A 19 9.923 6.820 13.100 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.491 6.915 11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.218 5.445 11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.781 6.238 14.244 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.011 7.675 13.602 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.319 6.240 12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.087 4.804 13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.656 5.630 15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.882 7.060 14.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.264 5.401 15.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.212 5.648 13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.962 4.262 14.340 1.00 0.00 H new ATOM 293 N LEU A 20 9.990 7.676 9.894 1.00 0.00 N ATOM 294 CA LEU A 20 10.691 7.495 8.630 1.00 0.00 C ATOM 295 C LEU A 20 12.180 7.827 8.761 1.00 0.00 C ATOM 296 O LEU A 20 13.008 7.086 8.236 1.00 0.00 O ATOM 297 CB LEU A 20 10.019 8.321 7.528 1.00 0.00 C ATOM 298 CG LEU A 20 8.866 7.598 6.808 1.00 0.00 C ATOM 299 CD1 LEU A 20 9.324 6.335 6.064 1.00 0.00 C ATOM 300 CD2 LEU A 20 7.655 7.249 7.677 1.00 0.00 C ATOM 0 H LEU A 20 9.271 8.399 9.862 1.00 0.00 H new ATOM 0 HA LEU A 20 10.628 6.443 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.637 9.244 7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.771 8.603 6.792 1.00 0.00 H new ATOM 0 HG LEU A 20 8.534 8.351 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.468 5.869 5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.067 6.604 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.763 5.634 6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.905 6.743 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.967 6.592 8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.230 8.163 8.092 1.00 0.00 H new ATOM 312 N LYS A 21 12.550 8.899 9.474 1.00 0.00 N ATOM 313 CA LYS A 21 13.960 9.256 9.659 1.00 0.00 C ATOM 314 C LYS A 21 14.677 8.224 10.528 1.00 0.00 C ATOM 315 O LYS A 21 15.861 7.978 10.311 1.00 0.00 O ATOM 316 CB LYS A 21 14.060 10.677 10.247 1.00 0.00 C ATOM 317 CG LYS A 21 15.477 11.270 10.361 1.00 0.00 C ATOM 318 CD LYS A 21 16.297 11.196 9.060 1.00 0.00 C ATOM 319 CE LYS A 21 17.306 12.349 8.917 1.00 0.00 C ATOM 320 NZ LYS A 21 18.386 12.324 9.937 1.00 0.00 N ATOM 0 H LYS A 21 11.893 9.532 9.931 1.00 0.00 H new ATOM 0 HA LYS A 21 14.462 9.252 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.458 11.345 9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.612 10.669 11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.399 12.312 10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.017 10.744 11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.832 10.247 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.617 11.208 8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.754 12.307 7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.774 13.298 8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.029 13.127 9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.968 12.393 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.918 11.434 9.857 1.00 0.00 H new ATOM 334 N GLU A 22 13.979 7.597 11.480 1.00 0.00 N ATOM 335 CA GLU A 22 14.546 6.495 12.245 1.00 0.00 C ATOM 336 C GLU A 22 14.778 5.312 11.302 1.00 0.00 C ATOM 337 O GLU A 22 15.865 4.745 11.292 1.00 0.00 O ATOM 338 CB GLU A 22 13.631 6.134 13.428 1.00 0.00 C ATOM 339 CG GLU A 22 14.293 5.127 14.379 1.00 0.00 C ATOM 340 CD GLU A 22 13.362 4.743 15.543 1.00 0.00 C ATOM 341 OE1 GLU A 22 13.309 5.479 16.555 1.00 0.00 O ATOM 342 OE2 GLU A 22 12.701 3.683 15.462 1.00 0.00 O ATOM 0 H GLU A 22 13.021 7.838 11.735 1.00 0.00 H new ATOM 0 HA GLU A 22 15.505 6.784 12.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.376 7.039 13.979 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.697 5.717 13.050 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.570 4.231 13.824 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.214 5.553 14.776 1.00 0.00 H new ATOM 349 N GLU A 23 13.804 4.968 10.454 1.00 0.00 N ATOM 350 CA GLU A 23 13.914 3.857 9.514 1.00 0.00 C ATOM 351 C GLU A 23 15.072 4.073 8.535 1.00 0.00 C ATOM 352 O GLU A 23 15.816 3.134 8.264 1.00 0.00 O ATOM 353 CB GLU A 23 12.583 3.644 8.774 1.00 0.00 C ATOM 354 CG GLU A 23 12.491 2.188 8.281 1.00 0.00 C ATOM 355 CD GLU A 23 11.285 1.907 7.373 1.00 0.00 C ATOM 356 OE1 GLU A 23 10.222 2.551 7.502 1.00 0.00 O ATOM 357 OE2 GLU A 23 11.385 1.006 6.509 1.00 0.00 O ATOM 0 H GLU A 23 12.911 5.459 10.403 1.00 0.00 H new ATOM 0 HA GLU A 23 14.133 2.951 10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.747 3.867 9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.512 4.329 7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.404 1.941 7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.443 1.526 9.145 1.00 0.00 H new ATOM 364 N ALA A 24 15.288 5.313 8.086 1.00 0.00 N ATOM 365 CA ALA A 24 16.394 5.695 7.210 1.00 0.00 C ATOM 366 C ALA A 24 17.775 5.452 7.833 1.00 0.00 C ATOM 367 O ALA A 24 18.781 5.464 7.121 1.00 0.00 O ATOM 368 CB ALA A 24 16.243 7.172 6.836 1.00 0.00 C ATOM 0 H ALA A 24 14.682 6.097 8.329 1.00 0.00 H new ATOM 0 HA ALA A 24 16.342 5.061 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.064 7.468 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.295 7.321 6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.263 7.780 7.740 1.00 0.00 H new ATOM 374 N LYS A 25 17.836 5.248 9.153 1.00 0.00 N ATOM 375 CA LYS A 25 19.054 4.936 9.894 1.00 0.00 C ATOM 376 C LYS A 25 19.022 3.480 10.363 1.00 0.00 C ATOM 377 O LYS A 25 20.080 2.872 10.528 1.00 0.00 O ATOM 378 CB LYS A 25 19.174 5.901 11.088 1.00 0.00 C ATOM 379 CG LYS A 25 19.318 7.373 10.650 1.00 0.00 C ATOM 380 CD LYS A 25 19.118 8.364 11.806 1.00 0.00 C ATOM 381 CE LYS A 25 20.202 8.215 12.887 1.00 0.00 C ATOM 382 NZ LYS A 25 20.034 9.185 13.998 1.00 0.00 N ATOM 0 H LYS A 25 17.011 5.298 9.750 1.00 0.00 H new ATOM 0 HA LYS A 25 19.925 5.061 9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.293 5.799 11.722 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.036 5.620 11.692 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.307 7.523 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.591 7.586 9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.131 9.382 11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.136 8.206 12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.175 7.201 13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.184 8.353 12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.789 9.043 14.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.086 10.154 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.109 9.038 14.450 1.00 0.00 H new ATOM 396 N LYS A 26 17.831 2.905 10.565 1.00 0.00 N ATOM 397 CA LYS A 26 17.657 1.529 11.027 1.00 0.00 C ATOM 398 C LYS A 26 17.949 0.546 9.895 1.00 0.00 C ATOM 399 O LYS A 26 18.509 -0.523 10.145 1.00 0.00 O ATOM 400 CB LYS A 26 16.222 1.367 11.551 1.00 0.00 C ATOM 401 CG LYS A 26 16.023 0.106 12.410 1.00 0.00 C ATOM 402 CD LYS A 26 14.596 -0.005 12.976 1.00 0.00 C ATOM 403 CE LYS A 26 14.252 1.181 13.892 1.00 0.00 C ATOM 404 NZ LYS A 26 12.893 1.092 14.478 1.00 0.00 N ATOM 0 H LYS A 26 16.949 3.393 10.409 1.00 0.00 H new ATOM 0 HA LYS A 26 18.359 1.313 11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.957 2.245 12.141 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.536 1.333 10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.241 -0.777 11.809 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.737 0.115 13.234 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.881 -0.049 12.154 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.498 -0.936 13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.985 1.234 14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.335 2.107 13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.636 2.007 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.209 0.850 13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.879 0.356 15.213 1.00 0.00 H new ATOM 418 N ALA A 27 17.587 0.907 8.662 1.00 0.00 N ATOM 419 CA ALA A 27 17.734 0.088 7.468 1.00 0.00 C ATOM 420 C ALA A 27 18.182 0.965 6.294 1.00 0.00 C ATOM 421 O ALA A 27 18.163 2.194 6.372 1.00 0.00 O ATOM 422 CB ALA A 27 16.392 -0.601 7.179 1.00 0.00 C ATOM 0 H ALA A 27 17.167 1.816 8.466 1.00 0.00 H new ATOM 0 HA ALA A 27 18.495 -0.678 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.485 -1.219 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.115 -1.227 8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.622 0.154 7.019 1.00 0.00 H new ATOM 428 N ASN A 28 18.561 0.329 5.181 1.00 0.00 N ATOM 429 CA ASN A 28 19.129 0.981 3.991 1.00 0.00 C ATOM 430 C ASN A 28 18.059 1.690 3.135 1.00 0.00 C ATOM 431 O ASN A 28 18.274 1.947 1.948 1.00 0.00 O ATOM 432 CB ASN A 28 19.886 -0.076 3.158 1.00 0.00 C ATOM 433 CG ASN A 28 21.088 0.501 2.408 1.00 0.00 C ATOM 434 OD1 ASN A 28 22.235 0.218 2.748 1.00 0.00 O ATOM 435 ND2 ASN A 28 20.882 1.310 1.385 1.00 0.00 N ATOM 0 H ASN A 28 18.480 -0.682 5.078 1.00 0.00 H new ATOM 0 HA ASN A 28 19.816 1.760 4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 28 20.226 -0.875 3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 28 19.199 -0.525 2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.675 1.701 0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 28 19.930 1.544 1.104 1.00 0.00 H new ATOM 442 N ILE A 29 16.862 1.919 3.674 1.00 0.00 N ATOM 443 CA ILE A 29 15.744 2.481 2.925 1.00 0.00 C ATOM 444 C ILE A 29 16.010 3.962 2.600 1.00 0.00 C ATOM 445 O ILE A 29 16.822 4.608 3.271 1.00 0.00 O ATOM 446 CB ILE A 29 14.413 2.174 3.653 1.00 0.00 C ATOM 447 CG1 ILE A 29 14.158 2.885 4.997 1.00 0.00 C ATOM 448 CG2 ILE A 29 14.319 0.665 3.972 1.00 0.00 C ATOM 449 CD1 ILE A 29 13.858 4.379 4.945 1.00 0.00 C ATOM 0 H ILE A 29 16.642 1.718 4.649 1.00 0.00 H new ATOM 0 HA ILE A 29 15.644 2.004 1.950 1.00 0.00 H new ATOM 0 HB ILE A 29 13.673 2.544 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.322 2.389 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 29 15.033 2.737 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 29 13.379 0.459 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 29 14.359 0.094 3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 29 15.152 0.376 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.699 4.754 5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.699 4.903 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.961 4.549 4.350 1.00 0.00 H new ATOM 461 N ARG A 30 15.341 4.516 1.578 1.00 0.00 N ATOM 462 CA ARG A 30 15.487 5.928 1.208 1.00 0.00 C ATOM 463 C ARG A 30 14.326 6.722 1.797 1.00 0.00 C ATOM 464 O ARG A 30 13.199 6.232 1.872 1.00 0.00 O ATOM 465 CB ARG A 30 15.560 6.058 -0.329 1.00 0.00 C ATOM 466 CG ARG A 30 15.959 7.466 -0.808 1.00 0.00 C ATOM 467 CD ARG A 30 16.023 7.583 -2.337 1.00 0.00 C ATOM 468 NE ARG A 30 17.066 6.722 -2.926 1.00 0.00 N ATOM 469 CZ ARG A 30 16.874 5.579 -3.600 1.00 0.00 C ATOM 470 NH1 ARG A 30 15.651 5.091 -3.796 1.00 0.00 N ATOM 471 NH2 ARG A 30 17.924 4.918 -4.077 1.00 0.00 N ATOM 0 H ARG A 30 14.688 4.000 0.989 1.00 0.00 H new ATOM 0 HA ARG A 30 16.413 6.335 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.279 5.335 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.590 5.799 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.242 8.191 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.931 7.725 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.054 7.316 -2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.215 8.620 -2.611 1.00 0.00 H new ATOM 0 HE ARG A 30 18.032 7.027 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.839 5.588 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.526 4.220 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.866 5.281 -3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.788 4.048 -4.591 1.00 0.00 H new ATOM 485 N VAL A 31 14.589 7.974 2.158 1.00 0.00 N ATOM 486 CA VAL A 31 13.574 8.948 2.544 1.00 0.00 C ATOM 487 C VAL A 31 13.914 10.276 1.879 1.00 0.00 C ATOM 488 O VAL A 31 15.071 10.550 1.552 1.00 0.00 O ATOM 489 CB VAL A 31 13.457 9.084 4.080 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.000 7.773 4.729 1.00 0.00 C ATOM 491 CG2 VAL A 31 14.764 9.549 4.746 1.00 0.00 C ATOM 0 H VAL A 31 15.537 8.348 2.191 1.00 0.00 H new ATOM 0 HA VAL A 31 12.595 8.609 2.205 1.00 0.00 H new ATOM 0 HB VAL A 31 12.704 9.855 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.929 7.907 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.024 7.492 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.721 6.987 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.616 9.625 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.555 8.828 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.048 10.524 4.349 1.00 0.00 H new ATOM 501 N THR A 32 12.897 11.102 1.671 1.00 0.00 N ATOM 502 CA THR A 32 13.021 12.493 1.249 1.00 0.00 C ATOM 503 C THR A 32 11.775 13.206 1.778 1.00 0.00 C ATOM 504 O THR A 32 10.698 12.612 1.840 1.00 0.00 O ATOM 505 CB THR A 32 13.150 12.581 -0.287 1.00 0.00 C ATOM 506 OG1 THR A 32 14.164 11.719 -0.775 1.00 0.00 O ATOM 507 CG2 THR A 32 13.490 13.997 -0.772 1.00 0.00 C ATOM 0 H THR A 32 11.927 10.812 1.796 1.00 0.00 H new ATOM 0 HA THR A 32 13.919 12.967 1.645 1.00 0.00 H new ATOM 0 HB THR A 32 12.173 12.286 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.219 11.798 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.569 14.000 -1.859 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.704 14.686 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.439 14.312 -0.339 1.00 0.00 H new ATOM 515 N PHE A 33 11.927 14.465 2.186 1.00 0.00 N ATOM 516 CA PHE A 33 10.904 15.209 2.907 1.00 0.00 C ATOM 517 C PHE A 33 10.742 16.562 2.212 1.00 0.00 C ATOM 518 O PHE A 33 11.671 17.373 2.221 1.00 0.00 O ATOM 519 CB PHE A 33 11.332 15.357 4.382 1.00 0.00 C ATOM 520 CG PHE A 33 11.707 14.066 5.104 1.00 0.00 C ATOM 521 CD1 PHE A 33 10.706 13.202 5.586 1.00 0.00 C ATOM 522 CD2 PHE A 33 13.061 13.734 5.319 1.00 0.00 C ATOM 523 CE1 PHE A 33 11.047 12.037 6.295 1.00 0.00 C ATOM 524 CE2 PHE A 33 13.404 12.562 6.019 1.00 0.00 C ATOM 525 CZ PHE A 33 12.396 11.717 6.517 1.00 0.00 C ATOM 0 H PHE A 33 12.778 15.002 2.021 1.00 0.00 H new ATOM 0 HA PHE A 33 9.944 14.693 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.185 16.035 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.518 15.833 4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.667 13.436 5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.839 14.383 4.944 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.270 11.387 6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.443 12.311 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.658 10.826 7.068 1.00 0.00 H new ATOM 535 N TRP A 34 9.592 16.794 1.572 1.00 0.00 N ATOM 536 CA TRP A 34 9.308 18.051 0.879 1.00 0.00 C ATOM 537 C TRP A 34 8.560 19.004 1.805 1.00 0.00 C ATOM 538 O TRP A 34 7.756 18.570 2.628 1.00 0.00 O ATOM 539 CB TRP A 34 8.467 17.786 -0.380 1.00 0.00 C ATOM 540 CG TRP A 34 9.257 17.329 -1.567 1.00 0.00 C ATOM 541 CD1 TRP A 34 9.691 18.129 -2.567 1.00 0.00 C ATOM 542 CD2 TRP A 34 9.727 15.989 -1.903 1.00 0.00 C ATOM 543 NE1 TRP A 34 10.402 17.388 -3.487 1.00 0.00 N ATOM 544 CE2 TRP A 34 10.453 16.057 -3.133 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.616 14.722 -1.292 1.00 0.00 C ATOM 546 CZ2 TRP A 34 11.035 14.926 -3.726 1.00 0.00 C ATOM 547 CZ3 TRP A 34 10.192 13.584 -1.885 1.00 0.00 C ATOM 548 CH2 TRP A 34 10.898 13.680 -3.097 1.00 0.00 C ATOM 0 H TRP A 34 8.833 16.115 1.521 1.00 0.00 H new ATOM 0 HA TRP A 34 10.254 18.507 0.586 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.715 17.032 -0.148 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.933 18.699 -0.644 1.00 0.00 H new ATOM 0 HD1 TRP A 34 9.508 19.191 -2.635 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.836 17.776 -4.325 1.00 0.00 H new ATOM 0 HE3 TRP A 34 9.082 14.625 -0.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 11.581 15.014 -4.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 10.091 12.623 -1.403 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.333 12.797 -3.542 1.00 0.00 H new ATOM 559 N GLY A 35 8.741 20.311 1.606 1.00 0.00 N ATOM 560 CA GLY A 35 7.949 21.355 2.250 1.00 0.00 C ATOM 561 C GLY A 35 6.638 21.566 1.485 1.00 0.00 C ATOM 562 O GLY A 35 6.282 22.703 1.170 1.00 0.00 O ATOM 0 H GLY A 35 9.457 20.678 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.736 21.077 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.515 22.286 2.281 1.00 0.00 H new ATOM 566 N ASP A 36 5.983 20.467 1.094 1.00 0.00 N ATOM 567 CA ASP A 36 4.789 20.456 0.249 1.00 0.00 C ATOM 568 C ASP A 36 3.656 21.263 0.881 1.00 0.00 C ATOM 569 O ASP A 36 3.048 22.090 0.173 1.00 0.00 O ATOM 570 CB ASP A 36 4.321 19.024 -0.018 1.00 0.00 C ATOM 571 CG ASP A 36 2.992 19.037 -0.793 1.00 0.00 C ATOM 572 OD1 ASP A 36 3.004 19.332 -2.009 1.00 0.00 O ATOM 573 OD2 ASP A 36 1.935 18.729 -0.199 1.00 0.00 O ATOM 574 OXT ASP A 36 3.384 21.083 2.087 1.00 0.00 O ATOM 0 H ASP A 36 6.282 19.531 1.368 1.00 0.00 H new ATOM 0 HA ASP A 36 5.058 20.921 -0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.078 18.486 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.195 18.492 0.925 1.00 0.00 H new