USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 262 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 Set 1.1: A 24 ASN : amide:sc= -0.465 K(o=-0.95,f=-9.2!) USER MOD Set 1.2: B 24 ASN : amide:sc= -0.487 K(o=-0.95,f=-9.2!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 155 N TYR A 10 -1.267 -14.840 -14.199 1.00 0.00 N ATOM 156 CA TYR A 10 -2.609 -15.140 -13.624 1.00 0.00 C ATOM 157 C TYR A 10 -3.505 -13.904 -13.718 1.00 0.00 C ATOM 158 O TYR A 10 -4.616 -13.962 -14.209 1.00 0.00 O ATOM 159 CB TYR A 10 -2.342 -15.498 -12.162 1.00 0.00 C ATOM 160 CG TYR A 10 -2.066 -16.977 -12.044 1.00 0.00 C ATOM 161 CD1 TYR A 10 -3.106 -17.900 -12.215 1.00 0.00 C ATOM 162 CD2 TYR A 10 -0.770 -17.428 -11.760 1.00 0.00 C ATOM 163 CE1 TYR A 10 -2.851 -19.273 -12.105 1.00 0.00 C ATOM 164 CE2 TYR A 10 -0.514 -18.801 -11.649 1.00 0.00 C ATOM 165 CZ TYR A 10 -1.555 -19.724 -11.821 1.00 0.00 C ATOM 166 OH TYR A 10 -1.304 -21.076 -11.711 1.00 0.00 O ATOM 0 HA TYR A 10 -3.118 -15.946 -14.153 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.492 -14.928 -11.787 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.202 -15.228 -11.548 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.105 -17.553 -12.432 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.032 -16.717 -11.627 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.653 -19.984 -12.239 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.485 -19.148 -11.431 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.355 -21.217 -11.512 1.00 0.00 H new ATOM 176 N ASP A 11 -3.028 -12.785 -13.249 1.00 0.00 N ATOM 177 CA ASP A 11 -3.841 -11.538 -13.307 1.00 0.00 C ATOM 178 C ASP A 11 -2.928 -10.317 -13.182 1.00 0.00 C ATOM 179 O ASP A 11 -3.049 -9.529 -12.265 1.00 0.00 O ATOM 180 CB ASP A 11 -4.788 -11.628 -12.108 1.00 0.00 C ATOM 181 CG ASP A 11 -6.197 -11.967 -12.595 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.941 -11.045 -12.885 1.00 0.00 O ATOM 183 OD2 ASP A 11 -6.508 -13.144 -12.671 1.00 0.00 O ATOM 0 H ASP A 11 -2.106 -12.680 -12.826 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.385 -11.437 -14.246 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.439 -12.391 -11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.797 -10.682 -11.566 1.00 0.00 H new ATOM 188 N LEU A 12 -2.011 -10.158 -14.096 1.00 0.00 N ATOM 189 CA LEU A 12 -1.088 -8.994 -14.031 1.00 0.00 C ATOM 190 C LEU A 12 -0.606 -8.624 -15.435 1.00 0.00 C ATOM 191 O LEU A 12 -0.082 -9.446 -16.160 1.00 0.00 O ATOM 192 CB LEU A 12 0.081 -9.463 -13.166 1.00 0.00 C ATOM 193 CG LEU A 12 1.227 -8.455 -13.269 1.00 0.00 C ATOM 194 CD1 LEU A 12 0.696 -7.051 -12.977 1.00 0.00 C ATOM 195 CD2 LEU A 12 2.311 -8.814 -12.252 1.00 0.00 C ATOM 0 H LEU A 12 -1.862 -10.786 -14.886 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.568 -8.107 -13.618 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.238 -9.563 -12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.417 -10.447 -13.493 1.00 0.00 H new ATOM 0 HG LEU A 12 1.649 -8.482 -14.274 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.511 -6.331 -13.050 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.078 -6.797 -13.701 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.276 -7.023 -11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.129 -8.097 -12.324 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.891 -8.786 -11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.687 -9.816 -12.460 1.00 0.00 H new ATOM 207 N GLY A 13 -0.778 -7.391 -15.823 1.00 0.00 N ATOM 208 CA GLY A 13 -0.329 -6.966 -17.179 1.00 0.00 C ATOM 209 C GLY A 13 -0.317 -5.438 -17.253 1.00 0.00 C ATOM 210 O GLY A 13 0.654 -4.835 -17.664 1.00 0.00 O ATOM 0 H GLY A 13 -1.210 -6.659 -15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.667 -7.359 -17.385 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.996 -7.373 -17.939 1.00 0.00 H new ATOM 214 N LYS A 14 -1.387 -4.809 -16.853 1.00 0.00 N ATOM 215 CA LYS A 14 -1.437 -3.321 -16.896 1.00 0.00 C ATOM 216 C LYS A 14 -0.860 -2.737 -15.604 1.00 0.00 C ATOM 217 O LYS A 14 -0.591 -3.449 -14.657 1.00 0.00 O ATOM 218 CB LYS A 14 -2.921 -2.976 -17.025 1.00 0.00 C ATOM 219 CG LYS A 14 -3.414 -3.361 -18.421 1.00 0.00 C ATOM 220 CD LYS A 14 -4.845 -2.856 -18.614 1.00 0.00 C ATOM 221 CE LYS A 14 -4.840 -1.659 -19.566 1.00 0.00 C ATOM 222 NZ LYS A 14 -5.532 -2.142 -20.792 1.00 0.00 N ATOM 0 H LYS A 14 -2.229 -5.261 -16.498 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.852 -2.912 -17.720 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.496 -3.506 -16.266 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.074 -1.910 -16.855 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.760 -2.932 -19.180 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.379 -4.443 -18.545 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.471 -3.652 -19.017 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.273 -2.569 -17.654 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.359 -0.805 -19.130 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.823 -1.335 -19.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.569 -1.376 -21.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.012 -2.951 -21.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.500 -2.437 -20.551 1.00 0.00 H new ATOM 236 N LYS A 15 -0.669 -1.448 -15.559 1.00 0.00 N ATOM 237 CA LYS A 15 -0.109 -0.820 -14.327 1.00 0.00 C ATOM 238 C LYS A 15 -0.679 0.588 -14.146 1.00 0.00 C ATOM 239 O LYS A 15 -1.115 1.208 -15.096 1.00 0.00 O ATOM 240 CB LYS A 15 1.400 -0.761 -14.566 1.00 0.00 C ATOM 241 CG LYS A 15 1.690 0.123 -15.780 1.00 0.00 C ATOM 242 CD LYS A 15 3.074 -0.215 -16.339 1.00 0.00 C ATOM 243 CE LYS A 15 4.085 0.829 -15.860 1.00 0.00 C ATOM 244 NZ LYS A 15 5.006 1.028 -17.012 1.00 0.00 N ATOM 0 H LYS A 15 -0.876 -0.802 -16.321 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.358 -1.381 -13.426 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.903 -0.363 -13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.792 -1.764 -14.731 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.929 -0.031 -16.545 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.648 1.174 -15.496 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.378 -1.209 -16.011 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.043 -0.235 -17.428 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.590 1.760 -15.584 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.624 0.481 -14.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.729 1.732 -16.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.467 0.126 -17.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.466 1.365 -17.834 1.00 0.00 H new ATOM 258 N PRO A 16 -0.655 1.047 -12.925 1.00 0.00 N ATOM 259 CA PRO A 16 -1.176 2.398 -12.610 1.00 0.00 C ATOM 260 C PRO A 16 -0.204 3.474 -13.103 1.00 0.00 C ATOM 261 O PRO A 16 0.964 3.218 -13.321 1.00 0.00 O ATOM 262 CB PRO A 16 -1.263 2.402 -11.088 1.00 0.00 C ATOM 263 CG PRO A 16 -0.263 1.384 -10.638 1.00 0.00 C ATOM 264 CD PRO A 16 -0.150 0.356 -11.734 1.00 0.00 C ATOM 0 HA PRO A 16 -2.132 2.611 -13.088 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.032 3.387 -10.683 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.267 2.145 -10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.703 1.852 -10.448 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.581 0.918 -9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.881 0.029 -11.870 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.739 -0.533 -11.509 1.00 0.00 H new ATOM 272 N ILE A 17 -0.679 4.676 -13.285 1.00 0.00 N ATOM 273 CA ILE A 17 0.207 5.768 -13.765 1.00 0.00 C ATOM 274 C ILE A 17 -0.362 7.127 -13.348 1.00 0.00 C ATOM 275 O ILE A 17 -0.529 8.015 -14.160 1.00 0.00 O ATOM 276 CB ILE A 17 0.216 5.632 -15.288 1.00 0.00 C ATOM 277 CG1 ILE A 17 -1.204 5.354 -15.791 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.134 4.480 -15.696 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.234 5.436 -17.317 1.00 0.00 C ATOM 0 H ILE A 17 -1.648 4.947 -13.120 1.00 0.00 H new ATOM 0 HA ILE A 17 1.211 5.702 -13.347 1.00 0.00 H new ATOM 0 HB ILE A 17 0.581 6.560 -15.728 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.530 4.367 -15.464 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.900 6.077 -15.364 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.138 4.385 -16.782 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.146 4.680 -15.345 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.773 3.552 -15.252 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.245 5.238 -17.672 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.927 6.433 -17.634 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.551 4.696 -17.735 1.00 0.00 H new ATOM 291 N TYR A 18 -0.664 7.294 -12.088 1.00 0.00 N ATOM 292 CA TYR A 18 -1.228 8.594 -11.617 1.00 0.00 C ATOM 293 C TYR A 18 -0.161 9.692 -11.662 1.00 0.00 C ATOM 294 O TYR A 18 0.849 9.566 -12.327 1.00 0.00 O ATOM 295 CB TYR A 18 -1.665 8.334 -10.175 1.00 0.00 C ATOM 296 CG TYR A 18 -3.128 8.681 -10.018 1.00 0.00 C ATOM 297 CD1 TYR A 18 -3.653 9.813 -10.656 1.00 0.00 C ATOM 298 CD2 TYR A 18 -3.958 7.870 -9.232 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.008 10.133 -10.509 1.00 0.00 C ATOM 300 CE2 TYR A 18 -5.314 8.192 -9.085 1.00 0.00 C ATOM 301 CZ TYR A 18 -5.839 9.323 -9.723 1.00 0.00 C ATOM 302 OH TYR A 18 -7.175 9.638 -9.579 1.00 0.00 O ATOM 0 H TYR A 18 -0.545 6.586 -11.363 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.053 8.933 -12.243 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.499 7.288 -9.917 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.064 8.931 -9.489 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.013 10.438 -11.261 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.553 6.998 -8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.413 11.005 -11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.954 7.568 -8.480 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.608 8.973 -9.003 1.00 0.00 H new ATOM 312 N LYS A 19 -0.381 10.770 -10.957 1.00 0.00 N ATOM 313 CA LYS A 19 0.613 11.882 -10.951 1.00 0.00 C ATOM 314 C LYS A 19 0.882 12.364 -12.379 1.00 0.00 C ATOM 315 O LYS A 19 1.752 11.861 -13.061 1.00 0.00 O ATOM 316 CB LYS A 19 1.880 11.285 -10.338 1.00 0.00 C ATOM 317 CG LYS A 19 2.262 12.074 -9.083 1.00 0.00 C ATOM 318 CD LYS A 19 2.808 13.446 -9.486 1.00 0.00 C ATOM 319 CE LYS A 19 3.901 13.871 -8.503 1.00 0.00 C ATOM 320 NZ LYS A 19 3.990 15.352 -8.640 1.00 0.00 N ATOM 0 H LYS A 19 -1.209 10.928 -10.383 1.00 0.00 H new ATOM 0 HA LYS A 19 0.258 12.745 -10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.716 10.237 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.695 11.315 -11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.392 12.193 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.011 11.527 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.210 13.406 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.004 14.182 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.647 13.584 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.852 13.395 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.720 15.717 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.240 15.596 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.072 15.779 -8.400 1.00 0.00 H new ATOM 334 N LYS A 20 0.143 13.338 -12.834 1.00 0.00 N ATOM 335 CA LYS A 20 0.359 13.855 -14.215 1.00 0.00 C ATOM 336 C LYS A 20 1.607 14.741 -14.254 1.00 0.00 C ATOM 337 O LYS A 20 2.361 14.807 -13.303 1.00 0.00 O ATOM 338 CB LYS A 20 -0.891 14.679 -14.529 1.00 0.00 C ATOM 339 CG LYS A 20 -1.586 14.105 -15.767 1.00 0.00 C ATOM 340 CD LYS A 20 -1.047 14.796 -17.021 1.00 0.00 C ATOM 341 CE LYS A 20 -2.110 14.754 -18.123 1.00 0.00 C ATOM 342 NZ LYS A 20 -1.497 15.472 -19.274 1.00 0.00 N ATOM 0 H LYS A 20 -0.601 13.798 -12.309 1.00 0.00 H new ATOM 0 HA LYS A 20 0.512 13.054 -14.938 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.572 14.665 -13.678 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.619 15.720 -14.702 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.414 13.030 -15.828 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.664 14.251 -15.693 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.783 15.829 -16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.137 14.301 -17.360 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.364 13.728 -18.388 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.032 15.238 -17.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.166 15.486 -20.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.272 16.448 -18.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.625 14.985 -19.563 1.00 0.00 H new ATOM 356 N ALA A 21 1.829 15.424 -15.342 1.00 0.00 N ATOM 357 CA ALA A 21 3.028 16.306 -15.434 1.00 0.00 C ATOM 358 C ALA A 21 2.831 17.557 -14.575 1.00 0.00 C ATOM 359 O ALA A 21 1.773 17.766 -14.015 1.00 0.00 O ATOM 360 CB ALA A 21 3.132 16.680 -16.912 1.00 0.00 C ATOM 0 H ALA A 21 1.234 15.411 -16.170 1.00 0.00 H new ATOM 0 HA ALA A 21 3.932 15.814 -15.074 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.993 17.331 -17.063 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.252 15.776 -17.509 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.225 17.201 -17.220 1.00 0.00 H new ATOM 366 N PRO A 22 3.864 18.350 -14.501 1.00 0.00 N ATOM 367 CA PRO A 22 3.811 19.600 -13.704 1.00 0.00 C ATOM 368 C PRO A 22 2.943 20.645 -14.410 1.00 0.00 C ATOM 369 O PRO A 22 3.435 21.624 -14.933 1.00 0.00 O ATOM 370 CB PRO A 22 5.268 20.050 -13.648 1.00 0.00 C ATOM 371 CG PRO A 22 5.909 19.439 -14.854 1.00 0.00 C ATOM 372 CD PRO A 22 5.166 18.161 -15.148 1.00 0.00 C ATOM 0 HA PRO A 22 3.375 19.461 -12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.346 21.137 -13.668 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.750 19.712 -12.731 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.858 20.119 -15.704 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.964 19.238 -14.670 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.059 17.999 -16.221 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.689 17.294 -14.746 1.00 0.00 H new ATOM 380 N THR A 23 1.653 20.442 -14.431 1.00 0.00 N ATOM 381 CA THR A 23 0.755 21.424 -15.105 1.00 0.00 C ATOM 382 C THR A 23 -0.622 21.429 -14.436 1.00 0.00 C ATOM 383 O THR A 23 -0.846 20.756 -13.448 1.00 0.00 O ATOM 384 CB THR A 23 0.646 20.931 -16.549 1.00 0.00 C ATOM 385 OG1 THR A 23 0.254 19.566 -16.552 1.00 0.00 O ATOM 386 CG2 THR A 23 1.999 21.076 -17.244 1.00 0.00 C ATOM 0 H THR A 23 1.183 19.640 -14.011 1.00 0.00 H new ATOM 0 HA THR A 23 1.139 22.442 -15.048 1.00 0.00 H new ATOM 0 HB THR A 23 -0.097 21.525 -17.081 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.182 19.248 -17.476 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.919 20.724 -18.273 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.299 22.124 -17.241 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.745 20.483 -16.715 1.00 0.00 H new ATOM 394 N ASN A 24 -1.547 22.181 -14.968 1.00 0.00 N ATOM 395 CA ASN A 24 -2.910 22.229 -14.363 1.00 0.00 C ATOM 396 C ASN A 24 -3.875 21.355 -15.166 1.00 0.00 C ATOM 397 O ASN A 24 -4.617 20.564 -14.618 1.00 0.00 O ATOM 398 CB ASN A 24 -3.325 23.699 -14.442 1.00 0.00 C ATOM 399 CG ASN A 24 -2.506 24.516 -13.442 1.00 0.00 C ATOM 400 OD1 ASN A 24 -1.334 24.260 -13.247 1.00 0.00 O ATOM 401 ND2 ASN A 24 -3.076 25.495 -12.795 1.00 0.00 N ATOM 0 H ASN A 24 -1.418 22.764 -15.795 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.922 21.856 -13.339 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.168 24.078 -15.452 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.388 23.800 -14.225 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.538 26.045 -12.126 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.060 25.710 -12.959 1.00 0.00 H new ATOM 630 N TYR B 10 -4.437 -14.506 -17.086 1.00 0.00 N ATOM 631 CA TYR B 10 -3.109 -14.763 -17.714 1.00 0.00 C ATOM 632 C TYR B 10 -2.147 -13.619 -17.385 1.00 0.00 C ATOM 633 O TYR B 10 -1.048 -13.834 -16.913 1.00 0.00 O ATOM 634 CB TYR B 10 -3.384 -14.812 -19.218 1.00 0.00 C ATOM 635 CG TYR B 10 -3.740 -16.223 -19.619 1.00 0.00 C ATOM 636 CD1 TYR B 10 -2.753 -17.217 -19.635 1.00 0.00 C ATOM 637 CD2 TYR B 10 -5.056 -16.537 -19.978 1.00 0.00 C ATOM 638 CE1 TYR B 10 -3.083 -18.527 -20.008 1.00 0.00 C ATOM 639 CE2 TYR B 10 -5.387 -17.847 -20.352 1.00 0.00 C ATOM 640 CZ TYR B 10 -4.400 -18.842 -20.367 1.00 0.00 C ATOM 641 OH TYR B 10 -4.726 -20.131 -20.736 1.00 0.00 O ATOM 0 HA TYR B 10 -2.651 -15.684 -17.354 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -4.199 -14.134 -19.472 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.506 -14.476 -19.770 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -1.737 -16.974 -19.360 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.816 -15.770 -19.967 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -2.322 -19.293 -20.019 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -6.402 -18.089 -20.629 1.00 0.00 H new ATOM 0 HH TYR B 10 -5.681 -20.178 -20.953 1.00 0.00 H new ATOM 651 N ASP B 11 -2.556 -12.406 -17.630 1.00 0.00 N ATOM 652 CA ASP B 11 -1.672 -11.244 -17.332 1.00 0.00 C ATOM 653 C ASP B 11 -2.512 -9.972 -17.204 1.00 0.00 C ATOM 654 O ASP B 11 -2.331 -9.019 -17.936 1.00 0.00 O ATOM 655 CB ASP B 11 -0.727 -11.146 -18.530 1.00 0.00 C ATOM 656 CG ASP B 11 0.660 -11.649 -18.127 1.00 0.00 C ATOM 657 OD1 ASP B 11 1.452 -10.842 -17.670 1.00 0.00 O ATOM 658 OD2 ASP B 11 0.906 -12.834 -18.284 1.00 0.00 O ATOM 0 H ASP B 11 -3.466 -12.168 -18.025 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.127 -11.364 -16.396 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -1.113 -11.737 -19.361 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -0.665 -10.114 -18.875 1.00 0.00 H new ATOM 663 N LEU B 12 -3.432 -9.951 -16.280 1.00 0.00 N ATOM 664 CA LEU B 12 -4.286 -8.745 -16.108 1.00 0.00 C ATOM 665 C LEU B 12 -4.755 -8.626 -14.655 1.00 0.00 C ATOM 666 O LEU B 12 -5.322 -9.546 -14.097 1.00 0.00 O ATOM 667 CB LEU B 12 -5.476 -8.971 -17.038 1.00 0.00 C ATOM 668 CG LEU B 12 -6.564 -7.942 -16.733 1.00 0.00 C ATOM 669 CD1 LEU B 12 -5.956 -6.539 -16.741 1.00 0.00 C ATOM 670 CD2 LEU B 12 -7.659 -8.031 -17.798 1.00 0.00 C ATOM 0 H LEU B 12 -3.629 -10.718 -15.637 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.751 -7.824 -16.342 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.160 -8.885 -18.078 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.867 -9.980 -16.906 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.993 -8.145 -15.752 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -6.732 -5.805 -16.524 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.175 -6.477 -15.983 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.527 -6.334 -17.722 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -8.436 -7.298 -17.583 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -7.230 -7.827 -18.779 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -8.092 -9.031 -17.792 1.00 0.00 H new ATOM 682 N GLY B 13 -4.526 -7.498 -14.040 1.00 0.00 N ATOM 683 CA GLY B 13 -4.959 -7.317 -12.625 1.00 0.00 C ATOM 684 C GLY B 13 -4.886 -5.835 -12.258 1.00 0.00 C ATOM 685 O GLY B 13 -5.825 -5.268 -11.735 1.00 0.00 O ATOM 0 H GLY B 13 -4.057 -6.693 -14.456 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -5.976 -7.686 -12.494 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -4.321 -7.900 -11.960 1.00 0.00 H new ATOM 689 N LYS B 14 -3.779 -5.201 -12.529 1.00 0.00 N ATOM 690 CA LYS B 14 -3.647 -3.754 -12.196 1.00 0.00 C ATOM 691 C LYS B 14 -4.182 -2.898 -13.346 1.00 0.00 C ATOM 692 O LYS B 14 -4.486 -3.395 -14.412 1.00 0.00 O ATOM 693 CB LYS B 14 -2.146 -3.526 -12.011 1.00 0.00 C ATOM 694 CG LYS B 14 -1.682 -4.202 -10.719 1.00 0.00 C ATOM 695 CD LYS B 14 -0.228 -3.823 -10.439 1.00 0.00 C ATOM 696 CE LYS B 14 -0.174 -2.836 -9.271 1.00 0.00 C ATOM 697 NZ LYS B 14 0.483 -3.587 -8.164 1.00 0.00 N ATOM 0 H LYS B 14 -2.960 -5.622 -12.967 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.213 -3.481 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.598 -3.930 -12.862 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -1.932 -2.458 -11.972 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -2.316 -3.894 -9.887 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -1.776 -5.284 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS B 14 0.352 -4.715 -10.203 1.00 0.00 H new ATOM 0 HD3 LYS B 14 0.220 -3.377 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS B 14 0.394 -1.943 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -1.173 -2.506 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 0.557 -2.976 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.083 -4.428 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.435 -3.882 -8.462 1.00 0.00 H new ATOM 711 N LYS B 15 -4.301 -1.616 -13.139 1.00 0.00 N ATOM 712 CA LYS B 15 -4.817 -0.731 -14.222 1.00 0.00 C ATOM 713 C LYS B 15 -4.170 0.653 -14.126 1.00 0.00 C ATOM 714 O LYS B 15 -3.707 1.051 -13.076 1.00 0.00 O ATOM 715 CB LYS B 15 -6.322 -0.638 -13.971 1.00 0.00 C ATOM 716 CG LYS B 15 -6.574 0.007 -12.607 1.00 0.00 C ATOM 717 CD LYS B 15 -7.976 -0.357 -12.119 1.00 0.00 C ATOM 718 CE LYS B 15 -8.927 0.813 -12.380 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.843 0.833 -11.206 1.00 0.00 N ATOM 0 H LYS B 15 -4.064 -1.142 -12.267 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.592 -1.118 -15.216 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.797 -0.050 -14.756 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.769 -1.632 -14.003 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.828 -0.334 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.474 1.090 -12.681 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.331 -1.250 -12.633 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -7.953 -0.590 -11.055 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.382 1.752 -12.471 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.479 0.673 -13.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -10.526 1.610 -11.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.353 -0.071 -11.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -9.290 0.974 -10.337 1.00 0.00 H new ATOM 733 N PRO B 16 -4.161 1.341 -15.235 1.00 0.00 N ATOM 734 CA PRO B 16 -3.566 2.698 -15.285 1.00 0.00 C ATOM 735 C PRO B 16 -4.479 3.709 -14.583 1.00 0.00 C ATOM 736 O PRO B 16 -5.660 3.478 -14.409 1.00 0.00 O ATOM 737 CB PRO B 16 -3.471 2.993 -16.778 1.00 0.00 C ATOM 738 CG PRO B 16 -4.522 2.138 -17.412 1.00 0.00 C ATOM 739 CD PRO B 16 -4.698 0.924 -16.534 1.00 0.00 C ATOM 0 HA PRO B 16 -2.601 2.762 -14.782 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -3.646 4.049 -16.983 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -2.481 2.753 -17.165 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -5.460 2.686 -17.504 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -4.224 1.845 -18.419 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.746 0.636 -16.458 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -4.159 0.064 -16.931 1.00 0.00 H new ATOM 747 N ILE B 17 -3.940 4.827 -14.179 1.00 0.00 N ATOM 748 CA ILE B 17 -4.766 5.852 -13.490 1.00 0.00 C ATOM 749 C ILE B 17 -4.119 7.231 -13.638 1.00 0.00 C ATOM 750 O ILE B 17 -3.896 7.930 -12.669 1.00 0.00 O ATOM 751 CB ILE B 17 -4.792 5.423 -12.022 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.394 4.974 -11.589 1.00 0.00 C ATOM 753 CG2 ILE B 17 -5.776 4.264 -11.846 1.00 0.00 C ATOM 754 CD1 ILE B 17 -3.373 4.748 -10.076 1.00 0.00 C ATOM 0 H ILE B 17 -2.957 5.073 -14.298 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.770 5.924 -13.907 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.107 6.266 -11.407 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.119 4.056 -12.108 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.657 5.729 -11.864 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -5.795 3.958 -10.800 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.773 4.584 -12.148 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.462 3.423 -12.464 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.377 4.428 -9.770 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -3.629 5.677 -9.566 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.098 3.978 -9.813 1.00 0.00 H new ATOM 766 N TYR B 18 -3.812 7.625 -14.844 1.00 0.00 N ATOM 767 CA TYR B 18 -3.174 8.958 -15.058 1.00 0.00 C ATOM 768 C TYR B 18 -4.179 10.084 -14.797 1.00 0.00 C ATOM 769 O TYR B 18 -5.201 9.887 -14.170 1.00 0.00 O ATOM 770 CB TYR B 18 -2.742 8.958 -16.525 1.00 0.00 C ATOM 771 CG TYR B 18 -1.262 9.245 -16.617 1.00 0.00 C ATOM 772 CD1 TYR B 18 -0.678 10.201 -15.774 1.00 0.00 C ATOM 773 CD2 TYR B 18 -0.473 8.557 -17.548 1.00 0.00 C ATOM 774 CE1 TYR B 18 0.695 10.467 -15.861 1.00 0.00 C ATOM 775 CE2 TYR B 18 0.900 8.823 -17.636 1.00 0.00 C ATOM 776 CZ TYR B 18 1.484 9.778 -16.793 1.00 0.00 C ATOM 777 OH TYR B 18 2.836 10.040 -16.879 1.00 0.00 O ATOM 0 H TYR B 18 -3.975 7.082 -15.692 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.335 9.123 -14.382 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -2.965 7.993 -16.980 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.304 9.709 -17.080 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.287 10.733 -15.057 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.923 7.821 -18.198 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.145 11.202 -15.211 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.508 8.292 -18.353 1.00 0.00 H new ATOM 0 HH TYR B 18 3.235 9.476 -17.574 1.00 0.00 H new ATOM 787 N LYS B 19 -3.893 11.264 -15.277 1.00 0.00 N ATOM 788 CA LYS B 19 -4.825 12.408 -15.062 1.00 0.00 C ATOM 789 C LYS B 19 -5.077 12.618 -13.567 1.00 0.00 C ATOM 790 O LYS B 19 -5.981 12.045 -12.994 1.00 0.00 O ATOM 791 CB LYS B 19 -6.119 12.008 -15.773 1.00 0.00 C ATOM 792 CG LYS B 19 -6.452 13.044 -16.849 1.00 0.00 C ATOM 793 CD LYS B 19 -6.923 14.339 -16.184 1.00 0.00 C ATOM 794 CE LYS B 19 -7.986 15.007 -17.061 1.00 0.00 C ATOM 795 NZ LYS B 19 -7.994 16.435 -16.635 1.00 0.00 N ATOM 0 H LYS B 19 -3.052 11.486 -15.810 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.420 13.344 -15.448 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.009 11.022 -16.224 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.935 11.940 -15.054 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -5.574 13.238 -17.466 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -7.228 12.660 -17.511 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -7.333 14.125 -15.197 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -6.079 15.014 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -7.742 14.912 -18.119 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -8.963 14.546 -16.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -8.699 16.959 -17.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -8.236 16.495 -15.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -7.053 16.849 -16.790 1.00 0.00 H new ATOM 809 N LYS B 20 -4.285 13.438 -12.933 1.00 0.00 N ATOM 810 CA LYS B 20 -4.482 13.688 -11.476 1.00 0.00 C ATOM 811 C LYS B 20 -5.680 14.615 -11.261 1.00 0.00 C ATOM 812 O LYS B 20 -6.424 14.905 -12.176 1.00 0.00 O ATOM 813 CB LYS B 20 -3.192 14.365 -11.013 1.00 0.00 C ATOM 814 CG LYS B 20 -2.539 13.522 -9.914 1.00 0.00 C ATOM 815 CD LYS B 20 -3.045 13.984 -8.546 1.00 0.00 C ATOM 816 CE LYS B 20 -1.992 13.670 -7.481 1.00 0.00 C ATOM 817 NZ LYS B 20 -2.569 14.181 -6.207 1.00 0.00 N ATOM 0 H LYS B 20 -3.510 13.946 -13.360 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.683 12.772 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -2.507 14.480 -11.853 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -3.408 15.366 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -2.773 12.468 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.454 13.618 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -3.251 15.054 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -3.983 13.483 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -1.795 12.599 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -1.043 14.157 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -1.904 14.002 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -2.739 15.204 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -3.468 13.695 -6.013 1.00 0.00 H new ATOM 831 N ALA B 21 -5.871 15.082 -10.059 1.00 0.00 N ATOM 832 CA ALA B 21 -7.020 15.993 -9.790 1.00 0.00 C ATOM 833 C ALA B 21 -6.748 17.375 -10.389 1.00 0.00 C ATOM 834 O ALA B 21 -5.676 17.631 -10.901 1.00 0.00 O ATOM 835 CB ALA B 21 -7.111 16.077 -8.267 1.00 0.00 C ATOM 0 H ALA B 21 -5.283 14.873 -9.252 1.00 0.00 H new ATOM 0 HA ALA B 21 -7.948 15.631 -10.233 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -7.936 16.732 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -7.283 15.082 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -6.179 16.477 -7.868 1.00 0.00 H new ATOM 841 N PRO B 22 -7.736 18.223 -10.302 1.00 0.00 N ATOM 842 CA PRO B 22 -7.609 19.600 -10.841 1.00 0.00 C ATOM 843 C PRO B 22 -6.689 20.438 -9.949 1.00 0.00 C ATOM 844 O PRO B 22 -7.130 21.323 -9.245 1.00 0.00 O ATOM 845 CB PRO B 22 -9.039 20.131 -10.802 1.00 0.00 C ATOM 846 CG PRO B 22 -9.721 19.333 -9.737 1.00 0.00 C ATOM 847 CD PRO B 22 -9.052 17.983 -9.700 1.00 0.00 C ATOM 0 HA PRO B 22 -7.175 19.633 -11.840 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -9.058 21.196 -10.570 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -9.533 20.006 -11.766 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -9.639 19.830 -8.771 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -10.784 19.230 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -8.962 17.610 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -9.619 17.241 -10.262 1.00 0.00 H new ATOM 855 N THR B 23 -5.413 20.164 -9.976 1.00 0.00 N ATOM 856 CA THR B 23 -4.466 20.945 -9.129 1.00 0.00 C ATOM 857 C THR B 23 -3.087 21.005 -9.792 1.00 0.00 C ATOM 858 O THR B 23 -2.895 20.526 -10.892 1.00 0.00 O ATOM 859 CB THR B 23 -4.392 20.178 -7.808 1.00 0.00 C ATOM 860 OG1 THR B 23 -4.074 18.818 -8.071 1.00 0.00 O ATOM 861 CG2 THR B 23 -5.741 20.260 -7.092 1.00 0.00 C ATOM 0 H THR B 23 -4.986 19.435 -10.547 1.00 0.00 H new ATOM 0 HA THR B 23 -4.794 21.975 -8.986 1.00 0.00 H new ATOM 0 HB THR B 23 -3.621 20.616 -7.174 1.00 0.00 H new ATOM 0 HG1 THR B 23 -4.024 18.324 -7.226 1.00 0.00 H new ATOM 0 HG21 THR B 23 -5.687 19.713 -6.151 1.00 0.00 H new ATOM 0 HG22 THR B 23 -5.984 21.304 -6.892 1.00 0.00 H new ATOM 0 HG23 THR B 23 -6.515 19.822 -7.722 1.00 0.00 H new ATOM 869 N ASN B 24 -2.126 21.588 -9.129 1.00 0.00 N ATOM 870 CA ASN B 24 -0.760 21.678 -9.720 1.00 0.00 C ATOM 871 C ASN B 24 0.151 20.611 -9.106 1.00 0.00 C ATOM 872 O ASN B 24 0.850 19.902 -9.802 1.00 0.00 O ATOM 873 CB ASN B 24 -0.264 23.078 -9.358 1.00 0.00 C ATOM 874 CG ASN B 24 -1.032 24.119 -10.176 1.00 0.00 C ATOM 875 OD1 ASN B 24 -2.215 23.971 -10.411 1.00 0.00 O ATOM 876 ND2 ASN B 24 -0.405 25.172 -10.621 1.00 0.00 N ATOM 0 H ASN B 24 -2.227 22.006 -8.204 1.00 0.00 H new ATOM 0 HA ASN B 24 -0.763 21.513 -10.797 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.405 23.261 -8.293 1.00 0.00 H new ATOM 0 HB3 ASN B 24 0.805 23.160 -9.557 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -0.908 25.872 -11.167 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.588 25.296 -10.423 1.00 0.00 H new