USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=4 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 X(o=0,f=-0.22) 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 91:sc= 0.665 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00074 X(o=-0.00074,f=-0.24) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -0.323 13.600 1.355 1.00 0.00 N ATOM 213 CA GLN A 16 -1.567 12.827 1.173 1.00 0.00 C ATOM 214 C GLN A 16 -1.538 12.056 -0.154 1.00 0.00 C ATOM 215 O GLN A 16 -2.019 10.931 -0.228 1.00 0.00 O ATOM 216 CB GLN A 16 -2.780 13.769 1.257 1.00 0.00 C ATOM 217 CG GLN A 16 -4.168 13.111 1.140 1.00 0.00 C ATOM 218 CD GLN A 16 -4.540 12.245 2.348 1.00 0.00 C ATOM 219 OE1 GLN A 16 -4.007 11.165 2.577 1.00 0.00 O ATOM 220 NE2 GLN A 16 -5.477 12.692 3.163 1.00 0.00 N ATOM 0 HA GLN A 16 -1.652 12.090 1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.734 14.302 2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.688 14.515 0.468 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.921 13.890 1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.195 12.496 0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.926 13.589 2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.752 12.140 3.975 1.00 0.00 H new ATOM 229 N MET A 17 -0.891 12.617 -1.182 1.00 0.00 N ATOM 230 CA MET A 17 -0.735 11.992 -2.493 1.00 0.00 C ATOM 231 C MET A 17 0.129 10.736 -2.413 1.00 0.00 C ATOM 232 O MET A 17 -0.242 9.690 -2.944 1.00 0.00 O ATOM 233 CB MET A 17 -0.146 13.029 -3.466 1.00 0.00 C ATOM 234 CG MET A 17 -1.189 13.477 -4.489 1.00 0.00 C ATOM 235 SD MET A 17 -1.193 12.447 -5.981 1.00 0.00 S ATOM 236 CE MET A 17 -2.656 13.101 -6.801 1.00 0.00 C ATOM 0 H MET A 17 -0.454 13.537 -1.121 1.00 0.00 H new ATOM 0 HA MET A 17 -1.709 11.669 -2.861 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.215 13.893 -2.907 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.714 12.601 -3.982 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.177 13.449 -4.030 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.997 14.513 -4.768 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.810 12.576 -7.744 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.526 12.959 -6.160 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.519 14.165 -6.996 1.00 0.00 H new ATOM 245 N ALA A 18 1.247 10.804 -1.666 1.00 0.00 N ATOM 246 CA ALA A 18 2.085 9.634 -1.443 1.00 0.00 C ATOM 247 C ALA A 18 1.350 8.546 -0.643 1.00 0.00 C ATOM 248 O ALA A 18 1.660 7.358 -0.788 1.00 0.00 O ATOM 249 CB ALA A 18 3.388 10.069 -0.757 1.00 0.00 C ATOM 0 H ALA A 18 1.581 11.655 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 18 2.327 9.185 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.019 9.196 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.915 10.780 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.157 10.540 0.198 1.00 0.00 H new ATOM 255 N ARG A 19 0.366 8.951 0.179 1.00 0.00 N ATOM 256 CA ARG A 19 -0.470 8.039 0.969 1.00 0.00 C ATOM 257 C ARG A 19 -1.551 7.371 0.134 1.00 0.00 C ATOM 258 O ARG A 19 -1.673 6.156 0.207 1.00 0.00 O ATOM 259 CB ARG A 19 -1.115 8.735 2.182 1.00 0.00 C ATOM 260 CG ARG A 19 -1.100 7.790 3.399 1.00 0.00 C ATOM 261 CD ARG A 19 0.306 7.548 3.991 1.00 0.00 C ATOM 262 NE ARG A 19 0.753 8.673 4.833 1.00 0.00 N ATOM 263 CZ ARG A 19 1.378 9.773 4.441 1.00 0.00 C ATOM 264 NH1 ARG A 19 1.808 9.930 3.214 1.00 0.00 N ATOM 265 NH2 ARG A 19 1.563 10.768 5.279 1.00 0.00 N ATOM 0 H ARG A 19 0.129 9.934 0.313 1.00 0.00 H new ATOM 0 HA ARG A 19 0.210 7.269 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.574 9.652 2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.140 9.021 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.743 8.204 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.530 6.832 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.297 6.633 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.019 7.396 3.181 1.00 0.00 H new ATOM 0 HE ARG A 19 0.559 8.595 5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.665 9.191 2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.286 10.791 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.224 10.696 6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.045 11.612 4.970 1.00 0.00 H new ATOM 279 N TYR A 20 -2.299 8.133 -0.675 1.00 0.00 N ATOM 280 CA TYR A 20 -3.314 7.631 -1.582 1.00 0.00 C ATOM 281 C TYR A 20 -2.779 6.471 -2.433 1.00 0.00 C ATOM 282 O TYR A 20 -3.418 5.419 -2.541 1.00 0.00 O ATOM 283 CB TYR A 20 -3.783 8.805 -2.465 1.00 0.00 C ATOM 284 CG TYR A 20 -5.094 9.464 -2.063 1.00 0.00 C ATOM 285 CD1 TYR A 20 -6.274 8.696 -1.987 1.00 0.00 C ATOM 286 CD2 TYR A 20 -5.145 10.852 -1.825 1.00 0.00 C ATOM 287 CE1 TYR A 20 -7.489 9.306 -1.658 1.00 0.00 C ATOM 288 CE2 TYR A 20 -6.369 11.468 -1.501 1.00 0.00 C ATOM 289 CZ TYR A 20 -7.542 10.697 -1.416 1.00 0.00 C ATOM 290 OH TYR A 20 -8.727 11.300 -1.133 1.00 0.00 O ATOM 0 H TYR A 20 -2.203 9.148 -0.710 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.155 7.233 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.003 9.566 -2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.880 8.446 -3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.240 7.635 -2.183 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.244 11.444 -1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.389 8.712 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.407 12.532 -1.318 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.581 12.259 -0.993 1.00 0.00 H new ATOM 300 N TYR A 21 -1.586 6.654 -3.001 1.00 0.00 N ATOM 301 CA TYR A 21 -0.910 5.648 -3.816 1.00 0.00 C ATOM 302 C TYR A 21 -0.294 4.519 -2.971 1.00 0.00 C ATOM 303 O TYR A 21 -0.428 3.346 -3.327 1.00 0.00 O ATOM 304 CB TYR A 21 0.175 6.346 -4.643 1.00 0.00 C ATOM 305 CG TYR A 21 -0.309 6.966 -5.948 1.00 0.00 C ATOM 306 CD1 TYR A 21 -1.474 7.754 -6.009 1.00 0.00 C ATOM 307 CD2 TYR A 21 0.448 6.756 -7.117 1.00 0.00 C ATOM 308 CE1 TYR A 21 -1.886 8.330 -7.230 1.00 0.00 C ATOM 309 CE2 TYR A 21 0.055 7.335 -8.335 1.00 0.00 C ATOM 310 CZ TYR A 21 -1.111 8.129 -8.393 1.00 0.00 C ATOM 311 OH TYR A 21 -1.460 8.724 -9.558 1.00 0.00 O ATOM 0 H TYR A 21 -1.055 7.520 -2.905 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.649 5.178 -4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.629 7.127 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.959 5.623 -4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.057 7.919 -5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.338 6.145 -7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.789 8.921 -7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.644 7.173 -9.226 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.817 8.479 -10.256 1.00 0.00 H new ATOM 321 N SER A 22 0.337 4.842 -1.837 1.00 0.00 N ATOM 322 CA SER A 22 0.869 3.826 -0.917 1.00 0.00 C ATOM 323 C SER A 22 -0.228 2.892 -0.405 1.00 0.00 C ATOM 324 O SER A 22 -0.017 1.678 -0.322 1.00 0.00 O ATOM 325 CB SER A 22 1.570 4.479 0.274 1.00 0.00 C ATOM 326 OG SER A 22 2.861 4.904 -0.104 1.00 0.00 O ATOM 0 H SER A 22 0.493 5.803 -1.532 1.00 0.00 H new ATOM 0 HA SER A 22 1.590 3.237 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.987 5.329 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.638 3.771 1.100 1.00 0.00 H new ATOM 0 HG SER A 22 2.818 5.826 -0.434 1.00 0.00 H new ATOM 332 N ALA A 23 -1.410 3.440 -0.107 1.00 0.00 N ATOM 333 CA ALA A 23 -2.570 2.663 0.279 1.00 0.00 C ATOM 334 C ALA A 23 -3.032 1.769 -0.872 1.00 0.00 C ATOM 335 O ALA A 23 -3.375 0.628 -0.608 1.00 0.00 O ATOM 336 CB ALA A 23 -3.706 3.581 0.742 1.00 0.00 C ATOM 0 H ALA A 23 -1.580 4.445 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.287 2.022 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.568 2.978 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.374 4.167 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.986 4.252 -0.070 1.00 0.00 H new ATOM 342 N LEU A 24 -2.963 2.227 -2.132 1.00 0.00 N ATOM 343 CA LEU A 24 -3.231 1.386 -3.300 1.00 0.00 C ATOM 344 C LEU A 24 -2.304 0.171 -3.315 1.00 0.00 C ATOM 345 O LEU A 24 -2.769 -0.961 -3.427 1.00 0.00 O ATOM 346 CB LEU A 24 -3.123 2.209 -4.608 1.00 0.00 C ATOM 347 CG LEU A 24 -4.436 2.266 -5.402 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.310 3.259 -6.565 1.00 0.00 C ATOM 349 CD2 LEU A 24 -4.850 0.895 -5.951 1.00 0.00 C ATOM 0 H LEU A 24 -2.720 3.190 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.254 1.016 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.809 3.224 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.345 1.777 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.209 2.595 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.248 3.290 -7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.087 4.252 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.506 2.942 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.784 0.992 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.072 0.519 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.988 0.199 -5.124 1.00 0.00 H new ATOM 361 N ARG A 25 -0.986 0.383 -3.130 1.00 0.00 N ATOM 362 CA ARG A 25 -0.024 -0.721 -3.095 1.00 0.00 C ATOM 363 C ARG A 25 -0.304 -1.689 -1.952 1.00 0.00 C ATOM 364 O ARG A 25 -0.289 -2.900 -2.172 1.00 0.00 O ATOM 365 CB ARG A 25 1.408 -0.182 -3.034 1.00 0.00 C ATOM 366 CG ARG A 25 2.389 -1.085 -3.795 1.00 0.00 C ATOM 367 CD ARG A 25 2.064 -1.108 -5.300 1.00 0.00 C ATOM 368 NE ARG A 25 3.258 -1.361 -6.122 1.00 0.00 N ATOM 369 CZ ARG A 25 3.938 -2.494 -6.214 1.00 0.00 C ATOM 370 NH1 ARG A 25 3.562 -3.573 -5.566 1.00 0.00 N ATOM 371 NH2 ARG A 25 5.017 -2.557 -6.962 1.00 0.00 N ATOM 0 H ARG A 25 -0.571 1.306 -3.004 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.138 -1.288 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.437 0.823 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.722 -0.100 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.408 -0.729 -3.645 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.343 -2.097 -3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.319 -1.879 -5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.621 -0.155 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 25 3.599 -0.579 -6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.730 -3.550 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.102 -4.434 -5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.332 -1.732 -7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.539 -3.430 -7.031 1.00 0.00 H new ATOM 385 N ARG A 26 -0.558 -1.163 -0.746 1.00 0.00 N ATOM 386 CA ARG A 26 -0.895 -1.962 0.436 1.00 0.00 C ATOM 387 C ARG A 26 -2.197 -2.736 0.238 1.00 0.00 C ATOM 388 O ARG A 26 -2.217 -3.934 0.482 1.00 0.00 O ATOM 389 CB ARG A 26 -0.967 -1.070 1.690 1.00 0.00 C ATOM 390 CG ARG A 26 -0.559 -1.843 2.964 1.00 0.00 C ATOM 391 CD ARG A 26 0.818 -1.417 3.503 1.00 0.00 C ATOM 392 NE ARG A 26 1.732 -2.561 3.702 1.00 0.00 N ATOM 393 CZ ARG A 26 2.485 -3.146 2.778 1.00 0.00 C ATOM 394 NH1 ARG A 26 2.493 -2.735 1.533 1.00 0.00 N ATOM 395 NH2 ARG A 26 3.265 -4.155 3.093 1.00 0.00 N ATOM 0 H ARG A 26 -0.535 -0.160 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.101 -2.695 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.312 -0.208 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.981 -0.686 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.312 -1.685 3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.545 -2.911 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.273 -0.711 2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.687 -0.893 4.450 1.00 0.00 H new ATOM 0 HE ARG A 26 1.790 -2.941 4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.910 -1.946 1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.082 -3.204 0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.296 -4.495 4.054 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.840 -4.598 2.376 1.00 0.00 H new ATOM 409 N TYR A 27 -3.247 -2.068 -0.250 1.00 0.00 N ATOM 410 CA TYR A 27 -4.567 -2.615 -0.523 1.00 0.00 C ATOM 411 C TYR A 27 -4.504 -3.758 -1.539 1.00 0.00 C ATOM 412 O TYR A 27 -5.047 -4.828 -1.288 1.00 0.00 O ATOM 413 CB TYR A 27 -5.470 -1.473 -1.025 1.00 0.00 C ATOM 414 CG TYR A 27 -6.909 -1.840 -1.291 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.688 -2.398 -0.259 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.474 -1.588 -2.552 1.00 0.00 C ATOM 417 CE1 TYR A 27 -9.029 -2.744 -0.498 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.826 -1.909 -2.790 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.590 -2.510 -1.769 1.00 0.00 C ATOM 420 OH TYR A 27 -10.841 -2.951 -2.045 1.00 0.00 O ATOM 0 H TYR A 27 -3.188 -1.075 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.980 -3.038 0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.450 -0.670 -0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.041 -1.074 -1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.255 -2.560 0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.875 -1.150 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.625 -3.186 0.287 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.274 -1.696 -3.749 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.078 -2.707 -2.964 1.00 0.00 H new ATOM 430 N ILE A 28 -3.777 -3.568 -2.645 1.00 0.00 N ATOM 431 CA ILE A 28 -3.552 -4.608 -3.654 1.00 0.00 C ATOM 432 C ILE A 28 -2.756 -5.788 -3.055 1.00 0.00 C ATOM 433 O ILE A 28 -3.178 -6.937 -3.192 1.00 0.00 O ATOM 434 CB ILE A 28 -2.877 -3.993 -4.899 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.773 -2.922 -5.577 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.460 -5.083 -5.902 1.00 0.00 C ATOM 437 CD1 ILE A 28 -4.869 -3.437 -6.522 1.00 0.00 C ATOM 0 H ILE A 28 -3.325 -2.681 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.509 -5.019 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.974 -3.487 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.249 -2.331 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.129 -2.246 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.988 -4.619 -6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.755 -5.765 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.341 -5.638 -6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.424 -2.592 -6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.412 -3.999 -7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.550 -4.086 -5.971 1.00 0.00 H new ATOM 448 N ASN A 29 -1.655 -5.525 -2.335 1.00 0.00 N ATOM 449 CA ASN A 29 -0.922 -6.570 -1.606 1.00 0.00 C ATOM 450 C ASN A 29 -1.801 -7.310 -0.580 1.00 0.00 C ATOM 451 O ASN A 29 -1.632 -8.508 -0.370 1.00 0.00 O ATOM 452 CB ASN A 29 0.313 -5.971 -0.906 1.00 0.00 C ATOM 453 CG ASN A 29 1.625 -6.352 -1.574 1.00 0.00 C ATOM 454 OD1 ASN A 29 1.861 -7.493 -1.928 1.00 0.00 O ATOM 455 ND2 ASN A 29 2.544 -5.419 -1.720 1.00 0.00 N ATOM 0 H ASN A 29 -1.252 -4.593 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.605 -7.304 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.223 -4.885 -0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.331 -6.304 0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.449 -5.654 -2.128 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.351 -4.462 -1.425 1.00 0.00 H new ATOM 462 N MET A 30 -2.745 -6.620 0.061 1.00 0.00 N ATOM 463 CA MET A 30 -3.724 -7.215 0.973 1.00 0.00 C ATOM 464 C MET A 30 -4.789 -8.041 0.244 1.00 0.00 C ATOM 465 O MET A 30 -5.151 -9.108 0.732 1.00 0.00 O ATOM 466 CB MET A 30 -4.369 -6.110 1.824 1.00 0.00 C ATOM 467 CG MET A 30 -3.615 -5.960 3.146 1.00 0.00 C ATOM 468 SD MET A 30 -4.084 -4.499 4.109 1.00 0.00 S ATOM 469 CE MET A 30 -5.534 -5.152 4.976 1.00 0.00 C ATOM 0 H MET A 30 -2.853 -5.611 -0.041 1.00 0.00 H new ATOM 0 HA MET A 30 -3.193 -7.912 1.621 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.356 -5.166 1.279 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.414 -6.352 2.017 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.786 -6.850 3.751 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.546 -5.916 2.938 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.953 -4.378 5.619 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.283 -5.463 4.248 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.240 -6.008 5.583 1.00 0.00 H new