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= 0.139 USER MOD Single : A 13 THR OG1 : rot 132:sc= 1.4 USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 1.11 (180deg=0.797) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.11) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.47) USER MOD Single : A 32 THR OG1 : rot -99:sc= 0.622 USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 5 14.659 -1.506 -0.139 1.00 0.00 N ATOM 46 CA VAL A 5 14.468 -0.111 -0.533 1.00 0.00 C ATOM 47 C VAL A 5 13.007 0.166 -0.923 1.00 0.00 C ATOM 48 O VAL A 5 12.325 -0.681 -1.510 1.00 0.00 O ATOM 49 CB VAL A 5 15.502 0.262 -1.620 1.00 0.00 C ATOM 50 CG1 VAL A 5 15.199 -0.358 -2.991 1.00 0.00 C ATOM 51 CG2 VAL A 5 15.664 1.783 -1.759 1.00 0.00 C ATOM 0 HA VAL A 5 14.654 0.547 0.316 1.00 0.00 H new ATOM 0 HB VAL A 5 16.443 -0.165 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.965 -0.054 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.193 -1.445 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.224 -0.016 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.400 2.001 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.707 2.227 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.001 2.201 -0.810 1.00 0.00 H new ATOM 61 N ARG A 6 12.545 1.379 -0.615 1.00 0.00 N ATOM 62 CA ARG A 6 11.255 1.920 -1.035 1.00 0.00 C ATOM 63 C ARG A 6 11.400 3.428 -1.216 1.00 0.00 C ATOM 64 O ARG A 6 12.441 3.986 -0.864 1.00 0.00 O ATOM 65 CB ARG A 6 10.157 1.544 -0.016 1.00 0.00 C ATOM 66 CG ARG A 6 10.246 2.278 1.337 1.00 0.00 C ATOM 67 CD ARG A 6 9.165 1.749 2.287 1.00 0.00 C ATOM 68 NE ARG A 6 9.040 2.575 3.500 1.00 0.00 N ATOM 69 CZ ARG A 6 8.131 3.530 3.725 1.00 0.00 C ATOM 70 NH1 ARG A 6 7.299 3.930 2.763 1.00 0.00 N ATOM 71 NH2 ARG A 6 8.055 4.084 4.929 1.00 0.00 N ATOM 0 H ARG A 6 13.080 2.034 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 6 10.948 1.489 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.183 1.750 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.204 0.470 0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.233 2.131 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.119 3.350 1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.207 1.723 1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.402 0.724 2.570 1.00 0.00 H new ATOM 0 HE ARG A 6 9.715 2.401 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.349 3.506 1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.612 4.660 2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.686 3.780 5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.366 4.813 5.112 1.00 0.00 H new ATOM 85 N THR A 7 10.351 4.085 -1.701 1.00 0.00 N ATOM 86 CA THR A 7 10.273 5.535 -1.830 1.00 0.00 C ATOM 87 C THR A 7 9.036 6.009 -1.066 1.00 0.00 C ATOM 88 O THR A 7 8.097 5.245 -0.819 1.00 0.00 O ATOM 89 CB THR A 7 10.319 5.914 -3.324 1.00 0.00 C ATOM 90 OG1 THR A 7 11.536 5.434 -3.877 1.00 0.00 O ATOM 91 CG2 THR A 7 10.273 7.422 -3.589 1.00 0.00 C ATOM 0 H THR A 7 9.508 3.609 -2.024 1.00 0.00 H new ATOM 0 HA THR A 7 11.124 6.050 -1.383 1.00 0.00 H new ATOM 0 HB THR A 7 9.433 5.468 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.578 5.667 -4.828 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.310 7.604 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.350 7.835 -3.182 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.127 7.902 -3.111 1.00 0.00 H new ATOM 99 N ILE A 8 9.087 7.271 -0.645 1.00 0.00 N ATOM 100 CA ILE A 8 8.148 7.904 0.278 1.00 0.00 C ATOM 101 C ILE A 8 7.651 9.210 -0.361 1.00 0.00 C ATOM 102 O ILE A 8 8.189 9.622 -1.392 1.00 0.00 O ATOM 103 CB ILE A 8 8.831 8.091 1.665 1.00 0.00 C ATOM 104 CG1 ILE A 8 9.690 9.368 1.768 1.00 0.00 C ATOM 105 CG2 ILE A 8 9.706 6.873 2.043 1.00 0.00 C ATOM 106 CD1 ILE A 8 10.160 9.592 3.206 1.00 0.00 C ATOM 0 H ILE A 8 9.819 7.910 -0.953 1.00 0.00 H new ATOM 0 HA ILE A 8 7.271 7.283 0.460 1.00 0.00 H new ATOM 0 HB ILE A 8 8.003 8.188 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.553 9.285 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.112 10.229 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.165 7.043 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.085 5.978 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.486 6.738 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.764 10.498 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.294 9.698 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.757 8.740 3.530 1.00 0.00 H new ATOM 118 N TRP A 9 6.666 9.885 0.247 1.00 0.00 N ATOM 119 CA TRP A 9 6.206 11.200 -0.210 1.00 0.00 C ATOM 120 C TRP A 9 5.683 12.056 0.958 1.00 0.00 C ATOM 121 O TRP A 9 4.699 12.785 0.826 1.00 0.00 O ATOM 122 CB TRP A 9 5.214 11.041 -1.384 1.00 0.00 C ATOM 123 CG TRP A 9 5.604 11.800 -2.619 1.00 0.00 C ATOM 124 CD1 TRP A 9 6.224 11.263 -3.694 1.00 0.00 C ATOM 125 CD2 TRP A 9 5.474 13.227 -2.915 1.00 0.00 C ATOM 126 NE1 TRP A 9 6.441 12.235 -4.647 1.00 0.00 N ATOM 127 CE2 TRP A 9 6.003 13.471 -4.220 1.00 0.00 C ATOM 128 CE3 TRP A 9 4.978 14.347 -2.213 1.00 0.00 C ATOM 129 CZ2 TRP A 9 6.013 14.747 -4.803 1.00 0.00 C ATOM 130 CZ3 TRP A 9 5.008 15.638 -2.775 1.00 0.00 C ATOM 131 CH2 TRP A 9 5.513 15.838 -4.072 1.00 0.00 C ATOM 0 H TRP A 9 6.169 9.535 1.066 1.00 0.00 H new ATOM 0 HA TRP A 9 7.053 11.763 -0.604 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.127 9.983 -1.632 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.228 11.375 -1.061 1.00 0.00 H new ATOM 0 HD1 TRP A 9 6.507 10.225 -3.792 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.872 12.062 -5.555 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.567 14.211 -1.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.400 14.889 -5.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 4.641 16.480 -2.206 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.517 16.827 -4.505 1.00 0.00 H new ATOM 142 N VAL A 10 6.304 11.938 2.137 1.00 0.00 N ATOM 143 CA VAL A 10 5.926 12.752 3.292 1.00 0.00 C ATOM 144 C VAL A 10 6.289 14.219 3.018 1.00 0.00 C ATOM 145 O VAL A 10 7.315 14.520 2.395 1.00 0.00 O ATOM 146 CB VAL A 10 6.539 12.199 4.598 1.00 0.00 C ATOM 147 CG1 VAL A 10 6.107 10.744 4.840 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.066 12.275 4.637 1.00 0.00 C ATOM 0 H VAL A 10 7.069 11.287 2.314 1.00 0.00 H new ATOM 0 HA VAL A 10 4.847 12.703 3.441 1.00 0.00 H new ATOM 0 HB VAL A 10 6.156 12.843 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.553 10.381 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.021 10.695 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.440 10.123 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.426 11.870 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.480 11.695 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.381 13.314 4.544 1.00 0.00 H new ATOM 158 N GLY A 11 5.475 15.137 3.535 1.00 0.00 N ATOM 159 CA GLY A 11 5.656 16.576 3.375 1.00 0.00 C ATOM 160 C GLY A 11 6.547 17.140 4.481 1.00 0.00 C ATOM 161 O GLY A 11 6.236 18.197 5.033 1.00 0.00 O ATOM 0 H GLY A 11 4.653 14.894 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.101 16.785 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.686 17.073 3.395 1.00 0.00 H new ATOM 165 N GLY A 12 7.597 16.400 4.867 1.00 0.00 N ATOM 166 CA GLY A 12 8.406 16.696 6.049 1.00 0.00 C ATOM 167 C GLY A 12 7.523 16.798 7.298 1.00 0.00 C ATOM 168 O GLY A 12 7.779 17.624 8.175 1.00 0.00 O ATOM 0 H GLY A 12 7.908 15.572 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.154 15.915 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.946 17.632 5.902 1.00 0.00 H new ATOM 172 N THR A 13 6.447 16.010 7.340 1.00 0.00 N ATOM 173 CA THR A 13 5.374 16.097 8.309 1.00 0.00 C ATOM 174 C THR A 13 5.918 15.837 9.724 1.00 0.00 C ATOM 175 O THR A 13 6.499 14.769 9.944 1.00 0.00 O ATOM 176 CB THR A 13 4.283 15.078 7.912 1.00 0.00 C ATOM 177 OG1 THR A 13 4.307 14.780 6.523 1.00 0.00 O ATOM 178 CG2 THR A 13 2.884 15.580 8.278 1.00 0.00 C ATOM 0 H THR A 13 6.302 15.261 6.663 1.00 0.00 H new ATOM 0 HA THR A 13 4.938 17.096 8.316 1.00 0.00 H new ATOM 0 HB THR A 13 4.506 14.171 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.285 13.808 6.396 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.142 14.837 7.984 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.826 15.744 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.686 16.517 7.757 1.00 0.00 H new ATOM 186 N PRO A 14 5.706 16.740 10.704 1.00 0.00 N ATOM 187 CA PRO A 14 6.093 16.527 12.101 1.00 0.00 C ATOM 188 C PRO A 14 5.515 15.261 12.748 1.00 0.00 C ATOM 189 O PRO A 14 5.982 14.861 13.814 1.00 0.00 O ATOM 190 CB PRO A 14 5.618 17.773 12.857 1.00 0.00 C ATOM 191 CG PRO A 14 5.586 18.857 11.785 1.00 0.00 C ATOM 192 CD PRO A 14 5.172 18.086 10.535 1.00 0.00 C ATOM 0 HA PRO A 14 7.172 16.376 12.145 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.635 17.621 13.302 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.298 18.032 13.668 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.874 19.645 12.028 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.559 19.333 11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.087 18.066 10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.571 18.555 9.636 1.00 0.00 H new ATOM 200 N GLU A 15 4.497 14.643 12.143 1.00 0.00 N ATOM 201 CA GLU A 15 3.863 13.425 12.629 1.00 0.00 C ATOM 202 C GLU A 15 4.476 12.172 11.982 1.00 0.00 C ATOM 203 O GLU A 15 4.297 11.070 12.499 1.00 0.00 O ATOM 204 CB GLU A 15 2.352 13.541 12.355 1.00 0.00 C ATOM 205 CG GLU A 15 1.512 12.443 13.023 1.00 0.00 C ATOM 206 CD GLU A 15 0.005 12.725 12.887 1.00 0.00 C ATOM 207 OE1 GLU A 15 -0.613 12.305 11.880 1.00 0.00 O ATOM 208 OE2 GLU A 15 -0.588 13.352 13.795 1.00 0.00 O ATOM 0 H GLU A 15 4.083 14.990 11.278 1.00 0.00 H new ATOM 0 HA GLU A 15 4.032 13.314 13.700 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.003 14.513 12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.184 13.509 11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.745 11.479 12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.776 12.372 14.078 1.00 0.00 H new ATOM 215 N GLU A 16 5.227 12.314 10.882 1.00 0.00 N ATOM 216 CA GLU A 16 5.674 11.183 10.062 1.00 0.00 C ATOM 217 C GLU A 16 7.192 11.066 10.073 1.00 0.00 C ATOM 218 O GLU A 16 7.708 9.952 10.160 1.00 0.00 O ATOM 219 CB GLU A 16 5.148 11.310 8.624 1.00 0.00 C ATOM 220 CG GLU A 16 3.616 11.357 8.573 1.00 0.00 C ATOM 221 CD GLU A 16 3.092 11.368 7.128 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.247 12.399 6.435 1.00 0.00 O ATOM 223 OE2 GLU A 16 2.497 10.356 6.689 1.00 0.00 O ATOM 0 H GLU A 16 5.542 13.220 10.536 1.00 0.00 H new ATOM 0 HA GLU A 16 5.263 10.271 10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.553 12.213 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.504 10.467 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.208 10.495 9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.262 12.246 9.095 1.00 0.00 H new ATOM 230 N LEU A 17 7.923 12.189 10.110 1.00 0.00 N ATOM 231 CA LEU A 17 9.374 12.197 10.337 1.00 0.00 C ATOM 232 C LEU A 17 9.738 11.388 11.586 1.00 0.00 C ATOM 233 O LEU A 17 10.785 10.744 11.616 1.00 0.00 O ATOM 234 CB LEU A 17 9.891 13.638 10.495 1.00 0.00 C ATOM 235 CG LEU A 17 9.880 14.492 9.212 1.00 0.00 C ATOM 236 CD1 LEU A 17 10.364 15.908 9.542 1.00 0.00 C ATOM 237 CD2 LEU A 17 10.765 13.900 8.113 1.00 0.00 C ATOM 0 H LEU A 17 7.523 13.119 9.983 1.00 0.00 H new ATOM 0 HA LEU A 17 9.846 11.738 9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.287 14.141 11.250 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.911 13.599 10.876 1.00 0.00 H new ATOM 0 HG LEU A 17 8.856 14.511 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.358 16.515 8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.702 16.355 10.283 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.377 15.862 9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.724 14.538 7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.794 13.838 8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.409 12.902 7.857 1.00 0.00 H new ATOM 249 N LYS A 18 8.840 11.354 12.579 1.00 0.00 N ATOM 250 CA LYS A 18 8.998 10.609 13.831 1.00 0.00 C ATOM 251 C LYS A 18 9.212 9.108 13.607 1.00 0.00 C ATOM 252 O LYS A 18 9.784 8.454 14.479 1.00 0.00 O ATOM 253 CB LYS A 18 7.767 10.841 14.729 1.00 0.00 C ATOM 254 CG LYS A 18 7.516 12.319 15.074 1.00 0.00 C ATOM 255 CD LYS A 18 8.508 12.889 16.103 1.00 0.00 C ATOM 256 CE LYS A 18 8.469 14.425 16.190 1.00 0.00 C ATOM 257 NZ LYS A 18 7.110 14.973 16.418 1.00 0.00 N ATOM 0 H LYS A 18 7.956 11.861 12.530 1.00 0.00 H new ATOM 0 HA LYS A 18 9.897 10.984 14.321 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.885 10.440 14.230 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.893 10.279 15.654 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.573 12.911 14.161 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.503 12.426 15.461 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.286 12.469 17.084 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.517 12.571 15.841 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.123 14.751 16.998 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.870 14.843 15.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.184 15.950 16.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.577 14.962 15.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.615 14.391 17.124 1.00 0.00 H new ATOM 271 N LYS A 19 8.781 8.559 12.465 1.00 0.00 N ATOM 272 CA LYS A 19 8.994 7.158 12.106 1.00 0.00 C ATOM 273 C LYS A 19 9.931 7.076 10.910 1.00 0.00 C ATOM 274 O LYS A 19 10.832 6.241 10.896 1.00 0.00 O ATOM 275 CB LYS A 19 7.661 6.449 11.789 1.00 0.00 C ATOM 276 CG LYS A 19 6.607 6.527 12.909 1.00 0.00 C ATOM 277 CD LYS A 19 5.573 7.640 12.673 1.00 0.00 C ATOM 278 CE LYS A 19 4.574 7.690 13.839 1.00 0.00 C ATOM 279 NZ LYS A 19 3.453 8.624 13.575 1.00 0.00 N ATOM 0 H LYS A 19 8.268 9.085 11.757 1.00 0.00 H new ATOM 0 HA LYS A 19 9.444 6.650 12.959 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.241 6.884 10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.865 5.400 11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.093 5.569 12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.107 6.698 13.862 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.078 8.601 12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.043 7.462 11.737 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.178 6.691 14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.093 7.995 14.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.950 8.822 14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.826 9.512 13.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.796 8.194 12.893 1.00 0.00 H new ATOM 293 N LEU A 20 9.759 7.954 9.920 1.00 0.00 N ATOM 294 CA LEU A 20 10.511 7.899 8.673 1.00 0.00 C ATOM 295 C LEU A 20 12.004 8.131 8.894 1.00 0.00 C ATOM 296 O LEU A 20 12.815 7.441 8.280 1.00 0.00 O ATOM 297 CB LEU A 20 9.942 8.899 7.661 1.00 0.00 C ATOM 298 CG LEU A 20 8.835 8.312 6.770 1.00 0.00 C ATOM 299 CD1 LEU A 20 9.357 7.212 5.838 1.00 0.00 C ATOM 300 CD2 LEU A 20 7.606 7.782 7.518 1.00 0.00 C ATOM 0 H LEU A 20 9.091 8.724 9.964 1.00 0.00 H new ATOM 0 HA LEU A 20 10.403 6.893 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.546 9.761 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.751 9.263 7.028 1.00 0.00 H new ATOM 0 HG LEU A 20 8.508 9.174 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.537 6.830 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.130 7.622 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.776 6.400 6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.885 7.390 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.909 6.987 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.149 8.592 8.087 1.00 0.00 H new ATOM 312 N LYS A 21 12.390 9.068 9.770 1.00 0.00 N ATOM 313 CA LYS A 21 13.804 9.312 10.060 1.00 0.00 C ATOM 314 C LYS A 21 14.412 8.102 10.763 1.00 0.00 C ATOM 315 O LYS A 21 15.552 7.749 10.471 1.00 0.00 O ATOM 316 CB LYS A 21 13.946 10.602 10.887 1.00 0.00 C ATOM 317 CG LYS A 21 15.383 11.018 11.245 1.00 0.00 C ATOM 318 CD LYS A 21 16.346 11.115 10.045 1.00 0.00 C ATOM 319 CE LYS A 21 17.539 12.046 10.322 1.00 0.00 C ATOM 320 NZ LYS A 21 18.364 11.629 11.487 1.00 0.00 N ATOM 0 H LYS A 21 11.744 9.665 10.287 1.00 0.00 H new ATOM 0 HA LYS A 21 14.356 9.453 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.480 11.418 10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.383 10.481 11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.352 11.985 11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.787 10.301 11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.715 10.120 9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.801 11.478 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.172 12.085 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.168 13.056 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.148 12.300 11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.774 11.618 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.747 10.677 11.318 1.00 0.00 H new ATOM 334 N GLU A 22 13.664 7.444 11.652 1.00 0.00 N ATOM 335 CA GLU A 22 14.136 6.227 12.298 1.00 0.00 C ATOM 336 C GLU A 22 14.335 5.141 11.238 1.00 0.00 C ATOM 337 O GLU A 22 15.400 4.538 11.188 1.00 0.00 O ATOM 338 CB GLU A 22 13.164 5.802 13.411 1.00 0.00 C ATOM 339 CG GLU A 22 13.691 4.598 14.204 1.00 0.00 C ATOM 340 CD GLU A 22 12.762 4.249 15.379 1.00 0.00 C ATOM 341 OE1 GLU A 22 11.810 3.454 15.197 1.00 0.00 O ATOM 342 OE2 GLU A 22 12.985 4.746 16.506 1.00 0.00 O ATOM 0 H GLU A 22 12.730 7.737 11.938 1.00 0.00 H new ATOM 0 HA GLU A 22 15.099 6.402 12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.000 6.640 14.089 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.197 5.553 12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.782 3.737 13.542 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.690 4.818 14.581 1.00 0.00 H new ATOM 349 N GLU A 23 13.361 4.935 10.346 1.00 0.00 N ATOM 350 CA GLU A 23 13.414 3.922 9.294 1.00 0.00 C ATOM 351 C GLU A 23 14.613 4.153 8.367 1.00 0.00 C ATOM 352 O GLU A 23 15.308 3.199 8.011 1.00 0.00 O ATOM 353 CB GLU A 23 12.090 3.925 8.509 1.00 0.00 C ATOM 354 CG GLU A 23 11.917 2.644 7.679 1.00 0.00 C ATOM 355 CD GLU A 23 10.713 2.702 6.721 1.00 0.00 C ATOM 356 OE1 GLU A 23 9.682 3.337 7.035 1.00 0.00 O ATOM 357 OE2 GLU A 23 10.776 2.091 5.633 1.00 0.00 O ATOM 0 H GLU A 23 12.498 5.479 10.337 1.00 0.00 H new ATOM 0 HA GLU A 23 13.547 2.942 9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.256 4.024 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.060 4.792 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.825 2.467 7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.797 1.795 8.353 1.00 0.00 H new ATOM 364 N ALA A 24 14.896 5.420 8.034 1.00 0.00 N ATOM 365 CA ALA A 24 16.032 5.816 7.211 1.00 0.00 C ATOM 366 C ALA A 24 17.339 5.264 7.781 1.00 0.00 C ATOM 367 O ALA A 24 18.164 4.734 7.036 1.00 0.00 O ATOM 368 CB ALA A 24 16.087 7.347 7.099 1.00 0.00 C ATOM 0 H ALA A 24 14.326 6.209 8.339 1.00 0.00 H new ATOM 0 HA ALA A 24 15.904 5.396 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.938 7.636 6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.167 7.712 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.195 7.781 8.093 1.00 0.00 H new ATOM 374 N LYS A 25 17.525 5.348 9.104 1.00 0.00 N ATOM 375 CA LYS A 25 18.715 4.810 9.759 1.00 0.00 C ATOM 376 C LYS A 25 18.578 3.307 10.004 1.00 0.00 C ATOM 377 O LYS A 25 19.576 2.592 9.932 1.00 0.00 O ATOM 378 CB LYS A 25 18.978 5.544 11.088 1.00 0.00 C ATOM 379 CG LYS A 25 19.036 7.083 10.996 1.00 0.00 C ATOM 380 CD LYS A 25 19.944 7.665 9.900 1.00 0.00 C ATOM 381 CE LYS A 25 21.417 7.278 10.111 1.00 0.00 C ATOM 382 NZ LYS A 25 22.307 7.860 9.074 1.00 0.00 N ATOM 0 H LYS A 25 16.860 5.787 9.741 1.00 0.00 H new ATOM 0 HA LYS A 25 19.564 4.970 9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.196 5.269 11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.921 5.186 11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.024 7.455 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 25 19.369 7.471 11.958 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.611 7.308 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.852 8.751 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.741 7.615 11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.510 6.192 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 23.289 7.572 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.016 7.519 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.240 8.897 9.101 1.00 0.00 H new ATOM 396 N LYS A 26 17.368 2.812 10.291 1.00 0.00 N ATOM 397 CA LYS A 26 17.160 1.437 10.747 1.00 0.00 C ATOM 398 C LYS A 26 17.395 0.450 9.609 1.00 0.00 C ATOM 399 O LYS A 26 17.996 -0.601 9.835 1.00 0.00 O ATOM 400 CB LYS A 26 15.743 1.299 11.334 1.00 0.00 C ATOM 401 CG LYS A 26 15.496 -0.070 11.986 1.00 0.00 C ATOM 402 CD LYS A 26 14.105 -0.125 12.632 1.00 0.00 C ATOM 403 CE LYS A 26 13.881 -1.499 13.280 1.00 0.00 C ATOM 404 NZ LYS A 26 12.548 -1.607 13.924 1.00 0.00 N ATOM 0 H LYS A 26 16.508 3.355 10.213 1.00 0.00 H new ATOM 0 HA LYS A 26 17.882 1.203 11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.584 2.082 12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.010 1.456 10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.585 -0.856 11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.260 -0.261 12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.012 0.660 13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.338 0.061 11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.980 -2.276 12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.657 -1.678 14.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.442 -2.551 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.461 -0.883 14.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.805 -1.463 13.211 1.00 0.00 H new ATOM 418 N ALA A 27 16.945 0.790 8.397 1.00 0.00 N ATOM 419 CA ALA A 27 16.958 -0.107 7.246 1.00 0.00 C ATOM 420 C ALA A 27 17.812 0.442 6.097 1.00 0.00 C ATOM 421 O ALA A 27 17.803 -0.138 5.013 1.00 0.00 O ATOM 422 CB ALA A 27 15.507 -0.379 6.820 1.00 0.00 C ATOM 0 H ALA A 27 16.557 1.710 8.189 1.00 0.00 H new ATOM 0 HA ALA A 27 17.427 -1.050 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.500 -1.049 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.966 -0.842 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.024 0.561 6.552 1.00 0.00 H new ATOM 428 N ASN A 28 18.537 1.551 6.311 1.00 0.00 N ATOM 429 CA ASN A 28 19.407 2.243 5.345 1.00 0.00 C ATOM 430 C ASN A 28 18.678 2.799 4.111 1.00 0.00 C ATOM 431 O ASN A 28 19.314 3.337 3.202 1.00 0.00 O ATOM 432 CB ASN A 28 20.564 1.325 4.916 1.00 0.00 C ATOM 433 CG ASN A 28 21.713 2.095 4.263 1.00 0.00 C ATOM 434 OD1 ASN A 28 22.162 3.120 4.767 1.00 0.00 O ATOM 435 ND2 ASN A 28 22.233 1.612 3.145 1.00 0.00 N ATOM 0 H ASN A 28 18.532 2.018 7.218 1.00 0.00 H new ATOM 0 HA ASN A 28 19.794 3.115 5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 28 20.940 0.788 5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 28 20.190 0.577 4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 28 23.013 2.092 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.854 0.760 2.733 1.00 0.00 H new ATOM 442 N ILE A 29 17.358 2.630 4.035 1.00 0.00 N ATOM 443 CA ILE A 29 16.546 2.991 2.884 1.00 0.00 C ATOM 444 C ILE A 29 16.594 4.502 2.613 1.00 0.00 C ATOM 445 O ILE A 29 16.830 5.305 3.523 1.00 0.00 O ATOM 446 CB ILE A 29 15.124 2.400 3.051 1.00 0.00 C ATOM 447 CG1 ILE A 29 14.364 2.695 4.370 1.00 0.00 C ATOM 448 CG2 ILE A 29 15.236 0.868 2.974 1.00 0.00 C ATOM 449 CD1 ILE A 29 13.819 4.112 4.542 1.00 0.00 C ATOM 0 H ILE A 29 16.813 2.226 4.797 1.00 0.00 H new ATOM 0 HA ILE A 29 16.958 2.547 1.978 1.00 0.00 H new ATOM 0 HB ILE A 29 14.552 2.885 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.530 1.997 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 29 15.033 2.484 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.247 0.425 3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 29 15.652 0.582 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 29 15.889 0.510 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.309 4.192 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.643 4.825 4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.116 4.331 3.739 1.00 0.00 H new ATOM 461 N ARG A 30 16.390 4.895 1.348 1.00 0.00 N ATOM 462 CA ARG A 30 16.262 6.309 1.001 1.00 0.00 C ATOM 463 C ARG A 30 15.008 6.870 1.649 1.00 0.00 C ATOM 464 O ARG A 30 14.015 6.164 1.831 1.00 0.00 O ATOM 465 CB ARG A 30 16.327 6.553 -0.526 1.00 0.00 C ATOM 466 CG ARG A 30 15.218 5.947 -1.415 1.00 0.00 C ATOM 467 CD ARG A 30 13.874 6.697 -1.469 1.00 0.00 C ATOM 468 NE ARG A 30 13.971 8.057 -2.038 1.00 0.00 N ATOM 469 CZ ARG A 30 13.863 8.388 -3.334 1.00 0.00 C ATOM 470 NH1 ARG A 30 13.575 7.478 -4.263 1.00 0.00 N ATOM 471 NH2 ARG A 30 14.033 9.656 -3.686 1.00 0.00 N ATOM 0 H ARG A 30 16.311 4.256 0.557 1.00 0.00 H new ATOM 0 HA ARG A 30 17.120 6.852 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.332 7.631 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.284 6.172 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.604 5.870 -2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.025 4.931 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.168 6.115 -2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.465 6.764 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 30 14.136 8.820 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.431 6.504 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.498 7.755 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.242 10.359 -2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.955 9.928 -4.666 1.00 0.00 H new ATOM 485 N VAL A 31 15.045 8.164 1.921 1.00 0.00 N ATOM 486 CA VAL A 31 13.904 8.956 2.341 1.00 0.00 C ATOM 487 C VAL A 31 14.042 10.302 1.645 1.00 0.00 C ATOM 488 O VAL A 31 15.156 10.757 1.365 1.00 0.00 O ATOM 489 CB VAL A 31 13.840 9.095 3.880 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.459 7.768 4.548 1.00 0.00 C ATOM 491 CG2 VAL A 31 15.135 9.631 4.511 1.00 0.00 C ATOM 0 H VAL A 31 15.903 8.711 1.852 1.00 0.00 H new ATOM 0 HA VAL A 31 12.966 8.475 2.062 1.00 0.00 H new ATOM 0 HB VAL A 31 13.063 9.837 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.423 7.902 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.481 7.448 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.202 7.010 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.012 9.700 5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.958 8.954 4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.355 10.619 4.107 1.00 0.00 H new ATOM 501 N THR A 32 12.909 10.926 1.348 1.00 0.00 N ATOM 502 CA THR A 32 12.869 12.232 0.705 1.00 0.00 C ATOM 503 C THR A 32 11.691 12.984 1.325 1.00 0.00 C ATOM 504 O THR A 32 10.610 12.417 1.493 1.00 0.00 O ATOM 505 CB THR A 32 12.778 12.038 -0.822 1.00 0.00 C ATOM 506 OG1 THR A 32 13.796 11.150 -1.274 1.00 0.00 O ATOM 507 CG2 THR A 32 12.929 13.349 -1.596 1.00 0.00 C ATOM 0 H THR A 32 11.987 10.538 1.548 1.00 0.00 H new ATOM 0 HA THR A 32 13.768 12.827 0.866 1.00 0.00 H new ATOM 0 HB THR A 32 11.786 11.629 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.544 11.668 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.857 13.151 -2.665 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.139 14.039 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.900 13.793 -1.374 1.00 0.00 H new ATOM 515 N PHE A 33 11.915 14.239 1.717 1.00 0.00 N ATOM 516 CA PHE A 33 10.984 15.021 2.519 1.00 0.00 C ATOM 517 C PHE A 33 10.663 16.291 1.728 1.00 0.00 C ATOM 518 O PHE A 33 11.518 17.171 1.593 1.00 0.00 O ATOM 519 CB PHE A 33 11.618 15.326 3.896 1.00 0.00 C ATOM 520 CG PHE A 33 12.180 14.151 4.695 1.00 0.00 C ATOM 521 CD1 PHE A 33 11.492 12.923 4.769 1.00 0.00 C ATOM 522 CD2 PHE A 33 13.388 14.297 5.411 1.00 0.00 C ATOM 523 CE1 PHE A 33 11.988 11.868 5.559 1.00 0.00 C ATOM 524 CE2 PHE A 33 13.887 13.239 6.197 1.00 0.00 C ATOM 525 CZ PHE A 33 13.177 12.031 6.285 1.00 0.00 C ATOM 0 H PHE A 33 12.767 14.747 1.479 1.00 0.00 H new ATOM 0 HA PHE A 33 10.058 14.480 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.424 16.043 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.865 15.820 4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.575 12.790 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.934 15.227 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.452 10.932 5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.817 13.358 6.733 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.545 11.230 6.909 1.00 0.00 H new ATOM 535 N TRP A 34 9.468 16.360 1.140 1.00 0.00 N ATOM 536 CA TRP A 34 9.064 17.497 0.317 1.00 0.00 C ATOM 537 C TRP A 34 8.617 18.660 1.199 1.00 0.00 C ATOM 538 O TRP A 34 8.085 18.452 2.291 1.00 0.00 O ATOM 539 CB TRP A 34 7.940 17.078 -0.643 1.00 0.00 C ATOM 540 CG TRP A 34 8.429 16.354 -1.861 1.00 0.00 C ATOM 541 CD1 TRP A 34 8.625 16.920 -3.073 1.00 0.00 C ATOM 542 CD2 TRP A 34 8.833 14.958 -2.009 1.00 0.00 C ATOM 543 NE1 TRP A 34 9.121 15.983 -3.955 1.00 0.00 N ATOM 544 CE2 TRP A 34 9.273 14.752 -3.353 1.00 0.00 C ATOM 545 CE3 TRP A 34 8.892 13.846 -1.142 1.00 0.00 C ATOM 546 CZ2 TRP A 34 9.740 13.511 -3.813 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.371 12.603 -1.590 1.00 0.00 C ATOM 548 CH2 TRP A 34 9.785 12.427 -2.922 1.00 0.00 C ATOM 0 H TRP A 34 8.757 15.633 1.221 1.00 0.00 H new ATOM 0 HA TRP A 34 9.919 17.828 -0.273 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.237 16.439 -0.109 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.390 17.966 -0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.423 17.953 -3.315 1.00 0.00 H new ATOM 0 HE1 TRP A 34 9.347 16.176 -4.931 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.564 13.952 -0.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.060 13.392 -4.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.422 11.772 -0.902 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.136 11.463 -3.258 1.00 0.00 H new ATOM 559 N GLY A 35 8.743 19.886 0.688 1.00 0.00 N ATOM 560 CA GLY A 35 8.176 21.090 1.290 1.00 0.00 C ATOM 561 C GLY A 35 6.718 21.251 0.849 1.00 0.00 C ATOM 562 O GLY A 35 6.321 22.332 0.409 1.00 0.00 O ATOM 0 H GLY A 35 9.254 20.072 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.232 21.026 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.755 21.964 0.992 1.00 0.00 H new ATOM 566 N ASP A 36 5.960 20.150 0.864 1.00 0.00 N ATOM 567 CA ASP A 36 4.592 20.065 0.355 1.00 0.00 C ATOM 568 C ASP A 36 3.675 21.064 1.061 1.00 0.00 C ATOM 569 O ASP A 36 2.926 21.779 0.365 1.00 0.00 O ATOM 570 CB ASP A 36 4.038 18.648 0.514 1.00 0.00 C ATOM 571 CG ASP A 36 2.556 18.608 0.104 1.00 0.00 C ATOM 572 OD1 ASP A 36 2.262 18.664 -1.111 1.00 0.00 O ATOM 573 OD2 ASP A 36 1.680 18.498 0.990 1.00 0.00 O ATOM 574 OXT ASP A 36 3.712 21.145 2.307 1.00 0.00 O ATOM 0 H ASP A 36 6.295 19.265 1.244 1.00 0.00 H new ATOM 0 HA ASP A 36 4.623 20.314 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.612 17.954 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.146 18.322 1.548 1.00 0.00 H new