USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 132 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 16 GLN : amide:sc= -0.0828 K(o=-0.083,f=-1.7) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -148:sc= 0 (180deg=-0.128) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -0.734 13.447 1.408 1.00 0.00 N ATOM 213 CA GLN A 16 -1.954 12.690 1.135 1.00 0.00 C ATOM 214 C GLN A 16 -1.857 11.987 -0.218 1.00 0.00 C ATOM 215 O GLN A 16 -2.283 10.846 -0.342 1.00 0.00 O ATOM 216 CB GLN A 16 -3.178 13.626 1.188 1.00 0.00 C ATOM 217 CG GLN A 16 -4.451 12.948 1.700 1.00 0.00 C ATOM 218 CD GLN A 16 -4.422 12.661 3.203 1.00 0.00 C ATOM 219 OE1 GLN A 16 -3.403 12.695 3.875 1.00 0.00 O ATOM 220 NE2 GLN A 16 -5.563 12.380 3.793 1.00 0.00 N ATOM 0 HA GLN A 16 -2.074 11.924 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.947 14.476 1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.365 14.022 0.190 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.308 13.583 1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.598 12.012 1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.424 12.347 3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.587 12.195 4.796 1.00 0.00 H new ATOM 229 N MET A 17 -1.238 12.620 -1.222 1.00 0.00 N ATOM 230 CA MET A 17 -1.033 12.046 -2.549 1.00 0.00 C ATOM 231 C MET A 17 -0.048 10.871 -2.499 1.00 0.00 C ATOM 232 O MET A 17 -0.308 9.824 -3.095 1.00 0.00 O ATOM 233 CB MET A 17 -0.558 13.145 -3.508 1.00 0.00 C ATOM 234 CG MET A 17 -1.677 13.590 -4.456 1.00 0.00 C ATOM 235 SD MET A 17 -1.740 12.625 -5.990 1.00 0.00 S ATOM 236 CE MET A 17 -3.331 13.171 -6.665 1.00 0.00 C ATOM 0 H MET A 17 -0.860 13.563 -1.129 1.00 0.00 H new ATOM 0 HA MET A 17 -1.978 11.646 -2.917 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.205 14.002 -2.934 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.289 12.780 -4.090 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.635 13.506 -3.942 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.539 14.643 -4.702 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.517 12.666 -7.613 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.127 12.927 -5.962 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.307 14.249 -6.827 1.00 0.00 H new ATOM 245 N ALA A 18 1.042 10.996 -1.724 1.00 0.00 N ATOM 246 CA ALA A 18 1.961 9.884 -1.518 1.00 0.00 C ATOM 247 C ALA A 18 1.326 8.763 -0.685 1.00 0.00 C ATOM 248 O ALA A 18 1.702 7.592 -0.834 1.00 0.00 O ATOM 249 CB ALA A 18 3.244 10.414 -0.868 1.00 0.00 C ATOM 0 H ALA A 18 1.300 11.854 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 18 2.204 9.441 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.939 9.589 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.704 11.155 -1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.003 10.875 0.090 1.00 0.00 H new ATOM 255 N ARG A 19 0.337 9.095 0.159 1.00 0.00 N ATOM 256 CA ARG A 19 -0.402 8.126 0.969 1.00 0.00 C ATOM 257 C ARG A 19 -1.433 7.362 0.145 1.00 0.00 C ATOM 258 O ARG A 19 -1.433 6.145 0.207 1.00 0.00 O ATOM 259 CB ARG A 19 -1.077 8.779 2.186 1.00 0.00 C ATOM 260 CG ARG A 19 -0.763 8.036 3.497 1.00 0.00 C ATOM 261 CD ARG A 19 0.372 8.699 4.290 1.00 0.00 C ATOM 262 NE ARG A 19 1.658 8.696 3.565 1.00 0.00 N ATOM 263 CZ ARG A 19 2.818 9.142 4.040 1.00 0.00 C ATOM 264 NH1 ARG A 19 2.914 9.700 5.224 1.00 0.00 N ATOM 265 NH2 ARG A 19 3.915 9.038 3.323 1.00 0.00 N ATOM 0 H ARG A 19 0.027 10.057 0.297 1.00 0.00 H new ATOM 0 HA ARG A 19 0.338 7.415 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.747 9.814 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.156 8.800 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.661 8.000 4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.490 7.005 3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.094 9.727 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.495 8.180 5.241 1.00 0.00 H new ATOM 0 HE ARG A 19 1.657 8.319 2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.084 9.802 5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.818 10.032 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.880 8.613 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.801 9.382 3.693 1.00 0.00 H new ATOM 279 N TYR A 20 -2.258 8.056 -0.647 1.00 0.00 N ATOM 280 CA TYR A 20 -3.265 7.482 -1.540 1.00 0.00 C ATOM 281 C TYR A 20 -2.662 6.365 -2.399 1.00 0.00 C ATOM 282 O TYR A 20 -3.184 5.252 -2.443 1.00 0.00 O ATOM 283 CB TYR A 20 -3.841 8.625 -2.408 1.00 0.00 C ATOM 284 CG TYR A 20 -5.178 9.191 -1.959 1.00 0.00 C ATOM 285 CD1 TYR A 20 -6.298 8.346 -1.834 1.00 0.00 C ATOM 286 CD2 TYR A 20 -5.325 10.578 -1.714 1.00 0.00 C ATOM 287 CE1 TYR A 20 -7.549 8.865 -1.455 1.00 0.00 C ATOM 288 CE2 TYR A 20 -6.578 11.107 -1.337 1.00 0.00 C ATOM 289 CZ TYR A 20 -7.697 10.251 -1.207 1.00 0.00 C ATOM 290 OH TYR A 20 -8.911 10.736 -0.821 1.00 0.00 O ATOM 0 H TYR A 20 -2.240 9.075 -0.683 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.068 7.026 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.115 9.437 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.947 8.261 -3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.195 7.289 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.474 11.235 -1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.398 8.205 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.683 12.165 -1.148 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.849 11.705 -0.689 1.00 0.00 H new ATOM 300 N TYR A 21 -1.516 6.636 -3.028 1.00 0.00 N ATOM 301 CA TYR A 21 -0.779 5.665 -3.828 1.00 0.00 C ATOM 302 C TYR A 21 -0.184 4.532 -2.986 1.00 0.00 C ATOM 303 O TYR A 21 -0.306 3.356 -3.354 1.00 0.00 O ATOM 304 CB TYR A 21 0.312 6.427 -4.592 1.00 0.00 C ATOM 305 CG TYR A 21 1.062 5.549 -5.576 1.00 0.00 C ATOM 306 CD1 TYR A 21 2.138 4.768 -5.129 1.00 0.00 C ATOM 307 CD2 TYR A 21 0.659 5.509 -6.924 1.00 0.00 C ATOM 308 CE1 TYR A 21 2.802 3.907 -6.023 1.00 0.00 C ATOM 309 CE2 TYR A 21 1.329 4.668 -7.827 1.00 0.00 C ATOM 310 CZ TYR A 21 2.397 3.857 -7.376 1.00 0.00 C ATOM 311 OH TYR A 21 3.038 3.028 -8.239 1.00 0.00 O ATOM 0 H TYR A 21 -1.070 7.553 -2.993 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.464 5.177 -4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.141 7.261 -5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.019 6.852 -3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.457 4.827 -4.099 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.163 6.123 -7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.616 3.288 -5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.030 4.640 -8.864 1.00 0.00 H new ATOM 0 HH TYR A 21 2.639 3.111 -9.130 1.00 0.00 H new ATOM 321 N SER A 22 0.453 4.835 -1.846 1.00 0.00 N ATOM 322 CA SER A 22 1.017 3.814 -0.954 1.00 0.00 C ATOM 323 C SER A 22 -0.062 2.884 -0.392 1.00 0.00 C ATOM 324 O SER A 22 0.147 1.675 -0.291 1.00 0.00 O ATOM 325 CB SER A 22 1.798 4.454 0.200 1.00 0.00 C ATOM 326 OG SER A 22 3.181 4.443 -0.098 1.00 0.00 O ATOM 0 H SER A 22 0.591 5.791 -1.518 1.00 0.00 H new ATOM 0 HA SER A 22 1.701 3.218 -1.558 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.458 5.477 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.611 3.909 1.125 1.00 0.00 H new ATOM 0 HG SER A 22 3.678 4.854 0.640 1.00 0.00 H new ATOM 332 N ALA A 23 -1.232 3.446 -0.068 1.00 0.00 N ATOM 333 CA ALA A 23 -2.405 2.700 0.352 1.00 0.00 C ATOM 334 C ALA A 23 -2.877 1.777 -0.763 1.00 0.00 C ATOM 335 O ALA A 23 -3.163 0.623 -0.468 1.00 0.00 O ATOM 336 CB ALA A 23 -3.516 3.667 0.788 1.00 0.00 C ATOM 0 H ALA A 23 -1.384 4.454 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.143 2.077 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.391 3.098 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.162 4.276 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.784 4.314 -0.047 1.00 0.00 H new ATOM 342 N LEU A 24 -2.881 2.228 -2.030 1.00 0.00 N ATOM 343 CA LEU A 24 -3.172 1.367 -3.175 1.00 0.00 C ATOM 344 C LEU A 24 -2.232 0.158 -3.210 1.00 0.00 C ATOM 345 O LEU A 24 -2.709 -0.978 -3.303 1.00 0.00 O ATOM 346 CB LEU A 24 -3.132 2.156 -4.503 1.00 0.00 C ATOM 347 CG LEU A 24 -4.524 2.400 -5.112 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.407 3.349 -6.309 1.00 0.00 C ATOM 349 CD2 LEU A 24 -5.176 1.099 -5.605 1.00 0.00 C ATOM 0 H LEU A 24 -2.683 3.196 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.188 0.991 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.645 3.116 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.520 1.612 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.144 2.830 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.395 3.519 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.986 4.299 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.757 2.905 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.156 1.320 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.547 0.644 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.288 0.409 -4.769 1.00 0.00 H new ATOM 361 N ARG A 25 -0.914 0.365 -3.075 1.00 0.00 N ATOM 362 CA ARG A 25 0.061 -0.739 -3.052 1.00 0.00 C ATOM 363 C ARG A 25 -0.253 -1.757 -1.962 1.00 0.00 C ATOM 364 O ARG A 25 -0.350 -2.947 -2.256 1.00 0.00 O ATOM 365 CB ARG A 25 1.497 -0.192 -2.909 1.00 0.00 C ATOM 366 CG ARG A 25 2.512 -1.000 -3.736 1.00 0.00 C ATOM 367 CD ARG A 25 2.188 -0.884 -5.233 1.00 0.00 C ATOM 368 NE ARG A 25 3.387 -0.985 -6.081 1.00 0.00 N ATOM 369 CZ ARG A 25 3.505 -0.488 -7.307 1.00 0.00 C ATOM 370 NH1 ARG A 25 2.484 0.071 -7.918 1.00 0.00 N ATOM 371 NH2 ARG A 25 4.657 -0.509 -7.938 1.00 0.00 N ATOM 0 H ARG A 25 -0.496 1.290 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.014 -1.263 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.520 0.850 -3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.789 -0.212 -1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.521 -0.634 -3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.490 -2.046 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.484 -1.669 -5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.694 0.069 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 25 4.193 -1.477 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.579 0.129 -7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.596 0.446 -8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.478 -0.911 -7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.730 -0.123 -8.879 1.00 0.00 H new ATOM 385 N ARG A 26 -0.439 -1.293 -0.718 1.00 0.00 N ATOM 386 CA ARG A 26 -0.792 -2.157 0.414 1.00 0.00 C ATOM 387 C ARG A 26 -2.139 -2.842 0.191 1.00 0.00 C ATOM 388 O ARG A 26 -2.229 -4.044 0.401 1.00 0.00 O ATOM 389 CB ARG A 26 -0.802 -1.361 1.726 1.00 0.00 C ATOM 390 CG ARG A 26 -0.761 -2.287 2.957 1.00 0.00 C ATOM 391 CD ARG A 26 -1.720 -1.864 4.086 1.00 0.00 C ATOM 392 NE ARG A 26 -1.050 -1.789 5.405 1.00 0.00 N ATOM 393 CZ ARG A 26 -1.636 -1.747 6.603 1.00 0.00 C ATOM 394 NH1 ARG A 26 -2.938 -1.810 6.735 1.00 0.00 N ATOM 395 NH2 ARG A 26 -0.933 -1.630 7.708 1.00 0.00 N ATOM 0 H ARG A 26 -0.349 -0.308 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.030 -2.933 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.055 -0.687 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.697 -0.740 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.008 -3.302 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.256 -2.312 3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.151 -0.892 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.545 -2.574 4.142 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.030 -1.767 5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.531 -1.893 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.359 -1.776 7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.084 -1.569 7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.405 -1.600 8.612 1.00 0.00 H new ATOM 409 N TYR A 27 -3.163 -2.106 -0.240 1.00 0.00 N ATOM 410 CA TYR A 27 -4.513 -2.588 -0.531 1.00 0.00 C ATOM 411 C TYR A 27 -4.489 -3.724 -1.551 1.00 0.00 C ATOM 412 O TYR A 27 -5.052 -4.789 -1.291 1.00 0.00 O ATOM 413 CB TYR A 27 -5.367 -1.406 -1.020 1.00 0.00 C ATOM 414 CG TYR A 27 -6.810 -1.726 -1.353 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.659 -2.226 -0.352 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.315 -1.476 -2.645 1.00 0.00 C ATOM 417 CE1 TYR A 27 -9.008 -2.507 -0.644 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.664 -1.737 -2.940 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.513 -2.267 -1.938 1.00 0.00 C ATOM 420 OH TYR A 27 -10.804 -2.574 -2.227 1.00 0.00 O ATOM 0 H TYR A 27 -3.068 -1.104 -0.404 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.956 -2.997 0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.354 -0.632 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.895 -0.984 -1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.277 -2.395 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.663 -1.083 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.655 -2.906 0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.052 -1.534 -3.927 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.993 -2.346 -3.161 1.00 0.00 H new ATOM 430 N ILE A 28 -3.776 -3.539 -2.666 1.00 0.00 N ATOM 431 CA ILE A 28 -3.560 -4.584 -3.673 1.00 0.00 C ATOM 432 C ILE A 28 -2.820 -5.778 -3.050 1.00 0.00 C ATOM 433 O ILE A 28 -3.266 -6.916 -3.213 1.00 0.00 O ATOM 434 CB ILE A 28 -2.825 -3.998 -4.899 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.679 -2.902 -5.591 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.438 -5.079 -5.930 1.00 0.00 C ATOM 437 CD1 ILE A 28 -2.821 -1.993 -6.479 1.00 0.00 C ATOM 0 H ILE A 28 -3.328 -2.652 -2.898 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.521 -4.957 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.905 -3.554 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.456 -3.372 -6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.183 -2.301 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.924 -4.613 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.778 -5.809 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.338 -5.580 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.454 -1.239 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.061 -1.503 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.338 -2.591 -7.252 1.00 0.00 H new ATOM 448 N ASN A 29 -1.746 -5.551 -2.280 1.00 0.00 N ATOM 449 CA ASN A 29 -1.054 -6.631 -1.561 1.00 0.00 C ATOM 450 C ASN A 29 -2.009 -7.430 -0.660 1.00 0.00 C ATOM 451 O ASN A 29 -1.989 -8.658 -0.669 1.00 0.00 O ATOM 452 CB ASN A 29 0.127 -6.054 -0.746 1.00 0.00 C ATOM 453 CG ASN A 29 1.411 -6.809 -1.030 1.00 0.00 C ATOM 454 OD1 ASN A 29 1.916 -7.562 -0.209 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.956 -6.617 -2.218 1.00 0.00 N ATOM 0 H ASN A 29 -1.337 -4.627 -2.139 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.664 -7.329 -2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.260 -5.000 -0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.102 -6.108 0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.818 -7.102 -2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.515 -5.984 -2.885 1.00 0.00 H new ATOM 462 N MET A 30 -2.864 -6.727 0.087 1.00 0.00 N ATOM 463 CA MET A 30 -3.869 -7.300 0.975 1.00 0.00 C ATOM 464 C MET A 30 -4.967 -8.037 0.202 1.00 0.00 C ATOM 465 O MET A 30 -5.433 -9.076 0.660 1.00 0.00 O ATOM 466 CB MET A 30 -4.459 -6.174 1.857 1.00 0.00 C ATOM 467 CG MET A 30 -4.444 -6.510 3.354 1.00 0.00 C ATOM 468 SD MET A 30 -6.042 -7.029 4.036 1.00 0.00 S ATOM 469 CE MET A 30 -6.911 -5.433 3.978 1.00 0.00 C ATOM 0 H MET A 30 -2.873 -5.707 0.087 1.00 0.00 H new ATOM 0 HA MET A 30 -3.391 -8.047 1.610 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.894 -5.257 1.691 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.485 -5.977 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.717 -7.304 3.526 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.097 -5.635 3.904 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.619 -5.374 4.805 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.188 -4.622 4.061 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.448 -5.345 3.034 1.00 0.00 H new