USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=6 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) USER MOD Single : A 17 MET CE :methyl -128:sc= 0 (180deg=-0.00486) 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 K(o=0,f=-0.63) USER MOD Single : A 30 MET CE :methyl 179:sc= 0 (180deg=-0.000672) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -0.927 13.512 1.284 1.00 0.00 N ATOM 213 CA GLN A 16 -2.124 12.745 0.955 1.00 0.00 C ATOM 214 C GLN A 16 -1.952 11.971 -0.356 1.00 0.00 C ATOM 215 O GLN A 16 -2.369 10.820 -0.441 1.00 0.00 O ATOM 216 CB GLN A 16 -3.287 13.733 0.882 1.00 0.00 C ATOM 217 CG GLN A 16 -4.665 13.078 0.752 1.00 0.00 C ATOM 218 CD GLN A 16 -5.532 13.298 1.990 1.00 0.00 C ATOM 219 OE1 GLN A 16 -6.251 14.278 2.112 1.00 0.00 O ATOM 220 NE2 GLN A 16 -5.511 12.383 2.937 1.00 0.00 N ATOM 0 HA GLN A 16 -2.317 11.993 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.277 14.355 1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.132 14.396 0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.175 13.482 -0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.542 12.008 0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.913 11.563 2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.093 12.495 3.767 1.00 0.00 H new ATOM 229 N MET A 17 -1.299 12.559 -1.367 1.00 0.00 N ATOM 230 CA MET A 17 -1.077 11.923 -2.665 1.00 0.00 C ATOM 231 C MET A 17 -0.104 10.757 -2.555 1.00 0.00 C ATOM 232 O MET A 17 -0.368 9.669 -3.073 1.00 0.00 O ATOM 233 CB MET A 17 -0.562 12.979 -3.653 1.00 0.00 C ATOM 234 CG MET A 17 -1.699 13.454 -4.549 1.00 0.00 C ATOM 235 SD MET A 17 -2.307 12.257 -5.768 1.00 0.00 S ATOM 236 CE MET A 17 -0.967 12.361 -6.986 1.00 0.00 C ATOM 0 H MET A 17 -0.908 13.499 -1.303 1.00 0.00 H new ATOM 0 HA MET A 17 -2.020 11.514 -3.027 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.141 13.824 -3.108 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.240 12.560 -4.261 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.534 13.752 -3.915 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.368 14.346 -5.080 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.387 12.545 -7.975 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.296 13.177 -6.719 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.412 11.423 -6.997 1.00 0.00 H new ATOM 245 N ALA A 18 0.991 10.952 -1.807 1.00 0.00 N ATOM 246 CA ALA A 18 1.941 9.881 -1.522 1.00 0.00 C ATOM 247 C ALA A 18 1.311 8.770 -0.668 1.00 0.00 C ATOM 248 O ALA A 18 1.712 7.609 -0.774 1.00 0.00 O ATOM 249 CB ALA A 18 3.200 10.483 -0.875 1.00 0.00 C ATOM 0 H ALA A 18 1.237 11.849 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 18 2.231 9.400 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.914 9.688 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.652 11.201 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.927 10.987 0.052 1.00 0.00 H new ATOM 255 N ARG A 19 0.291 9.110 0.132 1.00 0.00 N ATOM 256 CA ARG A 19 -0.445 8.161 0.970 1.00 0.00 C ATOM 257 C ARG A 19 -1.469 7.365 0.175 1.00 0.00 C ATOM 258 O ARG A 19 -1.494 6.148 0.305 1.00 0.00 O ATOM 259 CB ARG A 19 -1.125 8.885 2.135 1.00 0.00 C ATOM 260 CG ARG A 19 -1.302 7.976 3.357 1.00 0.00 C ATOM 261 CD ARG A 19 -0.050 8.014 4.250 1.00 0.00 C ATOM 262 NE ARG A 19 -0.282 7.318 5.526 1.00 0.00 N ATOM 263 CZ ARG A 19 -0.959 7.781 6.571 1.00 0.00 C ATOM 264 NH1 ARG A 19 -1.492 8.982 6.575 1.00 0.00 N ATOM 265 NH2 ARG A 19 -1.118 7.027 7.632 1.00 0.00 N ATOM 0 H ARG A 19 -0.049 10.068 0.214 1.00 0.00 H new ATOM 0 HA ARG A 19 0.283 7.453 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.532 9.756 2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.099 9.252 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.173 8.294 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.491 6.953 3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.786 7.550 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.230 9.049 4.444 1.00 0.00 H new ATOM 0 HE ARG A 19 0.118 6.384 5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.392 9.587 5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.006 9.309 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.722 6.087 7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.637 7.380 8.436 1.00 0.00 H new ATOM 279 N TYR A 20 -2.273 8.028 -0.666 1.00 0.00 N ATOM 280 CA TYR A 20 -3.243 7.411 -1.554 1.00 0.00 C ATOM 281 C TYR A 20 -2.614 6.292 -2.387 1.00 0.00 C ATOM 282 O TYR A 20 -3.119 5.168 -2.422 1.00 0.00 O ATOM 283 CB TYR A 20 -3.829 8.515 -2.456 1.00 0.00 C ATOM 284 CG TYR A 20 -5.168 9.074 -2.020 1.00 0.00 C ATOM 285 CD1 TYR A 20 -6.272 8.206 -1.883 1.00 0.00 C ATOM 286 CD2 TYR A 20 -5.350 10.462 -1.824 1.00 0.00 C ATOM 287 CE1 TYR A 20 -7.541 8.713 -1.548 1.00 0.00 C ATOM 288 CE2 TYR A 20 -6.621 10.977 -1.503 1.00 0.00 C ATOM 289 CZ TYR A 20 -7.725 10.100 -1.380 1.00 0.00 C ATOM 290 OH TYR A 20 -8.976 10.567 -1.155 1.00 0.00 O ATOM 0 H TYR A 20 -2.258 9.045 -0.743 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.035 6.947 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.113 9.335 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.933 8.118 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.142 7.145 -2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.509 11.132 -1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.375 8.039 -1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.753 12.038 -1.351 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.949 11.542 -1.058 1.00 0.00 H new ATOM 300 N TYR A 21 -1.466 6.583 -3.008 1.00 0.00 N ATOM 301 CA TYR A 21 -0.724 5.616 -3.811 1.00 0.00 C ATOM 302 C TYR A 21 -0.139 4.472 -2.966 1.00 0.00 C ATOM 303 O TYR A 21 -0.211 3.300 -3.349 1.00 0.00 O ATOM 304 CB TYR A 21 0.378 6.369 -4.564 1.00 0.00 C ATOM 305 CG TYR A 21 0.690 5.784 -5.924 1.00 0.00 C ATOM 306 CD1 TYR A 21 1.427 4.588 -6.041 1.00 0.00 C ATOM 307 CD2 TYR A 21 0.223 6.446 -7.080 1.00 0.00 C ATOM 308 CE1 TYR A 21 1.722 4.069 -7.318 1.00 0.00 C ATOM 309 CE2 TYR A 21 0.520 5.932 -8.355 1.00 0.00 C ATOM 310 CZ TYR A 21 1.277 4.746 -8.476 1.00 0.00 C ATOM 311 OH TYR A 21 1.577 4.263 -9.712 1.00 0.00 O ATOM 0 H TYR A 21 -1.026 7.502 -2.965 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.408 5.142 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.078 7.410 -4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.285 6.368 -3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.765 4.071 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.363 7.348 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.288 3.154 -7.411 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.170 6.443 -9.240 1.00 0.00 H new ATOM 0 HH TYR A 21 1.192 4.851 -10.395 1.00 0.00 H new ATOM 321 N SER A 22 0.446 4.798 -1.799 1.00 0.00 N ATOM 322 CA SER A 22 1.008 3.817 -0.870 1.00 0.00 C ATOM 323 C SER A 22 -0.074 2.876 -0.324 1.00 0.00 C ATOM 324 O SER A 22 0.115 1.653 -0.289 1.00 0.00 O ATOM 325 CB SER A 22 1.726 4.545 0.273 1.00 0.00 C ATOM 326 OG SER A 22 2.480 3.644 1.043 1.00 0.00 O ATOM 0 H SER A 22 0.540 5.761 -1.477 1.00 0.00 H new ATOM 0 HA SER A 22 1.727 3.201 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.379 5.317 -0.135 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.995 5.048 0.906 1.00 0.00 H new ATOM 0 HG SER A 22 2.931 4.129 1.765 1.00 0.00 H new ATOM 332 N ALA A 23 -1.234 3.433 0.023 1.00 0.00 N ATOM 333 CA ALA A 23 -2.435 2.697 0.391 1.00 0.00 C ATOM 334 C ALA A 23 -2.862 1.768 -0.737 1.00 0.00 C ATOM 335 O ALA A 23 -3.120 0.606 -0.454 1.00 0.00 O ATOM 336 CB ALA A 23 -3.558 3.663 0.785 1.00 0.00 C ATOM 0 H ALA A 23 -1.364 4.444 0.056 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.213 2.077 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.448 3.095 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.238 4.265 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.788 4.316 -0.057 1.00 0.00 H new ATOM 342 N LEU A 24 -2.881 2.228 -1.999 1.00 0.00 N ATOM 343 CA LEU A 24 -3.158 1.356 -3.145 1.00 0.00 C ATOM 344 C LEU A 24 -2.208 0.159 -3.181 1.00 0.00 C ATOM 345 O LEU A 24 -2.669 -0.973 -3.314 1.00 0.00 O ATOM 346 CB LEU A 24 -3.123 2.135 -4.480 1.00 0.00 C ATOM 347 CG LEU A 24 -4.490 2.215 -5.182 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.361 3.079 -6.439 1.00 0.00 C ATOM 349 CD2 LEU A 24 -5.045 0.850 -5.612 1.00 0.00 C ATOM 0 H LEU A 24 -2.707 3.202 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.170 0.973 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.761 3.146 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.407 1.659 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.180 2.641 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.327 3.139 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.034 4.081 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.630 2.633 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.010 0.987 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.351 0.378 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.168 0.215 -4.735 1.00 0.00 H new ATOM 361 N ARG A 25 -0.897 0.373 -3.004 1.00 0.00 N ATOM 362 CA ARG A 25 0.085 -0.720 -2.967 1.00 0.00 C ATOM 363 C ARG A 25 -0.242 -1.745 -1.880 1.00 0.00 C ATOM 364 O ARG A 25 -0.338 -2.940 -2.170 1.00 0.00 O ATOM 365 CB ARG A 25 1.514 -0.164 -2.801 1.00 0.00 C ATOM 366 CG ARG A 25 2.566 -1.023 -3.518 1.00 0.00 C ATOM 367 CD ARG A 25 2.349 -0.986 -5.036 1.00 0.00 C ATOM 368 NE ARG A 25 3.554 -1.325 -5.806 1.00 0.00 N ATOM 369 CZ ARG A 25 3.803 -0.963 -7.063 1.00 0.00 C ATOM 370 NH1 ARG A 25 2.948 -0.255 -7.766 1.00 0.00 N ATOM 371 NH2 ARG A 25 4.925 -1.306 -7.654 1.00 0.00 N ATOM 0 H ARG A 25 -0.490 1.300 -2.883 1.00 0.00 H new ATOM 0 HA ARG A 25 0.031 -1.243 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.552 0.853 -3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.757 -0.107 -1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.565 -0.659 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.508 -2.052 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.551 -1.681 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.011 0.010 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 25 4.263 -1.888 -5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.062 0.034 -7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.170 0.006 -8.727 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.619 -1.857 -7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.102 -1.021 -8.617 1.00 0.00 H new ATOM 385 N ARG A 26 -0.438 -1.272 -0.643 1.00 0.00 N ATOM 386 CA ARG A 26 -0.761 -2.125 0.503 1.00 0.00 C ATOM 387 C ARG A 26 -2.101 -2.836 0.317 1.00 0.00 C ATOM 388 O ARG A 26 -2.193 -4.024 0.601 1.00 0.00 O ATOM 389 CB ARG A 26 -0.706 -1.289 1.794 1.00 0.00 C ATOM 390 CG ARG A 26 -0.228 -2.100 3.012 1.00 0.00 C ATOM 391 CD ARG A 26 -1.357 -2.752 3.831 1.00 0.00 C ATOM 392 NE ARG A 26 -1.329 -2.305 5.240 1.00 0.00 N ATOM 393 CZ ARG A 26 -1.623 -1.089 5.694 1.00 0.00 C ATOM 394 NH1 ARG A 26 -2.101 -0.163 4.907 1.00 0.00 N ATOM 395 NH2 ARG A 26 -1.418 -0.787 6.958 1.00 0.00 N ATOM 0 H ARG A 26 -0.376 -0.281 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.017 -2.917 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.038 -0.441 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.696 -0.882 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.451 -2.880 2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.346 -1.444 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.321 -2.502 3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.259 -3.837 3.790 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.056 -3.000 5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.257 -0.364 3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.318 0.761 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.033 -1.486 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.644 0.146 7.303 1.00 0.00 H new ATOM 409 N TYR A 27 -3.112 -2.124 -0.194 1.00 0.00 N ATOM 410 CA TYR A 27 -4.451 -2.617 -0.500 1.00 0.00 C ATOM 411 C TYR A 27 -4.425 -3.723 -1.552 1.00 0.00 C ATOM 412 O TYR A 27 -4.953 -4.798 -1.292 1.00 0.00 O ATOM 413 CB TYR A 27 -5.322 -1.445 -0.966 1.00 0.00 C ATOM 414 CG TYR A 27 -6.778 -1.781 -1.233 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.555 -2.337 -0.200 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.357 -1.502 -2.487 1.00 0.00 C ATOM 417 CE1 TYR A 27 -8.918 -2.602 -0.413 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.721 -1.745 -2.694 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.506 -2.285 -1.648 1.00 0.00 C ATOM 420 OH TYR A 27 -10.843 -2.475 -1.817 1.00 0.00 O ATOM 0 H TYR A 27 -3.007 -1.134 -0.416 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.874 -3.054 0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.281 -0.661 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.889 -1.033 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.104 -2.560 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.751 -1.102 -3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.512 -3.048 0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.172 -1.521 -3.649 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.099 -2.208 -2.724 1.00 0.00 H new ATOM 430 N ILE A 28 -3.778 -3.489 -2.702 1.00 0.00 N ATOM 431 CA ILE A 28 -3.570 -4.504 -3.741 1.00 0.00 C ATOM 432 C ILE A 28 -2.875 -5.719 -3.133 1.00 0.00 C ATOM 433 O ILE A 28 -3.388 -6.829 -3.255 1.00 0.00 O ATOM 434 CB ILE A 28 -2.797 -3.922 -4.947 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.616 -2.830 -5.674 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.379 -5.019 -5.961 1.00 0.00 C ATOM 437 CD1 ILE A 28 -2.721 -1.957 -6.565 1.00 0.00 C ATOM 0 H ILE A 28 -3.381 -2.580 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.536 -4.827 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.892 -3.473 -4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.390 -3.298 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.122 -2.204 -4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.839 -4.561 -6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.735 -5.746 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.269 -5.522 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.329 -1.200 -7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.963 -1.469 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.235 -2.581 -7.315 1.00 0.00 H new ATOM 448 N ASN A 29 -1.748 -5.534 -2.423 1.00 0.00 N ATOM 449 CA ASN A 29 -1.072 -6.635 -1.754 1.00 0.00 C ATOM 450 C ASN A 29 -2.033 -7.415 -0.834 1.00 0.00 C ATOM 451 O ASN A 29 -2.148 -8.636 -0.954 1.00 0.00 O ATOM 452 CB ASN A 29 0.169 -6.106 -1.010 1.00 0.00 C ATOM 453 CG ASN A 29 1.044 -7.224 -0.470 1.00 0.00 C ATOM 454 OD1 ASN A 29 1.128 -8.314 -1.010 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.754 -6.986 0.616 1.00 0.00 N ATOM 0 H ASN A 29 -1.294 -4.628 -2.304 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.732 -7.352 -2.501 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.756 -5.484 -1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.150 -5.468 -0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.365 -7.710 0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.692 -6.078 1.077 1.00 0.00 H new ATOM 462 N MET A 30 -2.789 -6.710 0.021 1.00 0.00 N ATOM 463 CA MET A 30 -3.769 -7.296 0.935 1.00 0.00 C ATOM 464 C MET A 30 -4.901 -8.044 0.207 1.00 0.00 C ATOM 465 O MET A 30 -5.283 -9.127 0.646 1.00 0.00 O ATOM 466 CB MET A 30 -4.356 -6.201 1.843 1.00 0.00 C ATOM 467 CG MET A 30 -4.730 -6.766 3.213 1.00 0.00 C ATOM 468 SD MET A 30 -5.834 -5.719 4.191 1.00 0.00 S ATOM 469 CE MET A 30 -7.402 -6.174 3.396 1.00 0.00 C ATOM 0 H MET A 30 -2.731 -5.694 0.094 1.00 0.00 H new ATOM 0 HA MET A 30 -3.241 -8.037 1.535 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.631 -5.396 1.963 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.238 -5.767 1.372 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.204 -7.737 3.072 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.816 -6.937 3.782 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.222 -5.640 3.876 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.365 -5.908 2.340 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.562 -7.248 3.495 1.00 0.00 H new