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= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 17 MET CE :methyl -164:sc=-0.000188 (180deg=-0.146) 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 94:sc= 0.502 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -1.450 13.790 1.011 1.00 0.00 N ATOM 213 CA GLN A 16 -2.474 12.751 0.968 1.00 0.00 C ATOM 214 C GLN A 16 -2.329 11.857 -0.273 1.00 0.00 C ATOM 215 O GLN A 16 -2.732 10.695 -0.245 1.00 0.00 O ATOM 216 CB GLN A 16 -3.855 13.416 1.034 1.00 0.00 C ATOM 217 CG GLN A 16 -5.036 12.453 1.170 1.00 0.00 C ATOM 218 CD GLN A 16 -4.868 11.504 2.352 1.00 0.00 C ATOM 219 OE1 GLN A 16 -4.742 11.909 3.495 1.00 0.00 O ATOM 220 NE2 GLN A 16 -4.825 10.211 2.106 1.00 0.00 N ATOM 0 HA GLN A 16 -2.352 12.092 1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.869 14.104 1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.996 14.014 0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.957 13.024 1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.139 11.874 0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.930 9.870 1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.687 9.551 2.871 1.00 0.00 H new ATOM 229 N MET A 17 -1.703 12.351 -1.347 1.00 0.00 N ATOM 230 CA MET A 17 -1.415 11.602 -2.567 1.00 0.00 C ATOM 231 C MET A 17 -0.341 10.557 -2.344 1.00 0.00 C ATOM 232 O MET A 17 -0.493 9.415 -2.791 1.00 0.00 O ATOM 233 CB MET A 17 -0.961 12.582 -3.659 1.00 0.00 C ATOM 234 CG MET A 17 -2.120 13.005 -4.567 1.00 0.00 C ATOM 235 SD MET A 17 -2.029 12.349 -6.255 1.00 0.00 S ATOM 236 CE MET A 17 -0.574 13.256 -6.849 1.00 0.00 C ATOM 0 H MET A 17 -1.374 13.315 -1.388 1.00 0.00 H new ATOM 0 HA MET A 17 -2.323 11.083 -2.873 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.523 13.465 -3.194 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.180 12.118 -4.261 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.057 12.680 -4.114 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.149 14.094 -4.615 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.531 13.203 -7.937 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.644 14.299 -6.539 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.328 12.812 -6.429 1.00 0.00 H new ATOM 245 N ALA A 18 0.723 10.908 -1.607 1.00 0.00 N ATOM 246 CA ALA A 18 1.748 9.939 -1.248 1.00 0.00 C ATOM 247 C ALA A 18 1.150 8.831 -0.387 1.00 0.00 C ATOM 248 O ALA A 18 1.511 7.667 -0.537 1.00 0.00 O ATOM 249 CB ALA A 18 2.916 10.657 -0.563 1.00 0.00 C ATOM 0 H ALA A 18 0.888 11.851 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 18 2.140 9.460 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.683 9.930 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.339 11.396 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.558 11.156 0.338 1.00 0.00 H new ATOM 255 N ARG A 19 0.156 9.156 0.445 1.00 0.00 N ATOM 256 CA ARG A 19 -0.574 8.176 1.244 1.00 0.00 C ATOM 257 C ARG A 19 -1.534 7.339 0.396 1.00 0.00 C ATOM 258 O ARG A 19 -1.640 6.139 0.633 1.00 0.00 O ATOM 259 CB ARG A 19 -1.275 8.874 2.426 1.00 0.00 C ATOM 260 CG ARG A 19 -0.759 8.320 3.764 1.00 0.00 C ATOM 261 CD ARG A 19 -1.246 6.893 4.042 1.00 0.00 C ATOM 262 NE ARG A 19 -2.383 6.864 4.982 1.00 0.00 N ATOM 263 CZ ARG A 19 -2.316 6.916 6.309 1.00 0.00 C ATOM 264 NH1 ARG A 19 -1.159 6.947 6.931 1.00 0.00 N ATOM 265 NH2 ARG A 19 -3.409 6.943 7.036 1.00 0.00 N ATOM 0 H ARG A 19 -0.165 10.115 0.582 1.00 0.00 H new ATOM 0 HA ARG A 19 0.143 7.466 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.097 9.948 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.353 8.726 2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.331 8.333 3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.084 8.974 4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.541 6.422 3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.425 6.304 4.450 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.315 6.797 4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.291 6.931 6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.129 6.987 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.323 6.924 6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.344 6.983 8.053 1.00 0.00 H new ATOM 279 N TYR A 20 -2.182 7.928 -0.601 1.00 0.00 N ATOM 280 CA TYR A 20 -3.103 7.275 -1.532 1.00 0.00 C ATOM 281 C TYR A 20 -2.405 6.198 -2.355 1.00 0.00 C ATOM 282 O TYR A 20 -2.793 5.033 -2.318 1.00 0.00 O ATOM 283 CB TYR A 20 -3.711 8.343 -2.449 1.00 0.00 C ATOM 284 CG TYR A 20 -4.596 7.791 -3.546 1.00 0.00 C ATOM 285 CD1 TYR A 20 -5.955 7.521 -3.289 1.00 0.00 C ATOM 286 CD2 TYR A 20 -4.051 7.528 -4.819 1.00 0.00 C ATOM 287 CE1 TYR A 20 -6.766 6.969 -4.300 1.00 0.00 C ATOM 288 CE2 TYR A 20 -4.857 6.978 -5.830 1.00 0.00 C ATOM 289 CZ TYR A 20 -6.213 6.687 -5.571 1.00 0.00 C ATOM 290 OH TYR A 20 -6.979 6.140 -6.552 1.00 0.00 O ATOM 0 H TYR A 20 -2.076 8.924 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.888 6.779 -0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.293 9.037 -1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.904 8.917 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.375 7.737 -2.318 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.013 7.749 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.808 6.762 -4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.439 6.778 -6.805 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.437 6.015 -7.359 1.00 0.00 H new ATOM 300 N TYR A 21 -1.357 6.577 -3.090 1.00 0.00 N ATOM 301 CA TYR A 21 -0.603 5.659 -3.951 1.00 0.00 C ATOM 302 C TYR A 21 0.015 4.490 -3.159 1.00 0.00 C ATOM 303 O TYR A 21 -0.098 3.325 -3.548 1.00 0.00 O ATOM 304 CB TYR A 21 0.478 6.459 -4.678 1.00 0.00 C ATOM 305 CG TYR A 21 1.397 5.612 -5.532 1.00 0.00 C ATOM 306 CD1 TYR A 21 0.900 4.970 -6.684 1.00 0.00 C ATOM 307 CD2 TYR A 21 2.740 5.436 -5.150 1.00 0.00 C ATOM 308 CE1 TYR A 21 1.743 4.140 -7.451 1.00 0.00 C ATOM 309 CE2 TYR A 21 3.589 4.609 -5.914 1.00 0.00 C ATOM 310 CZ TYR A 21 3.087 3.955 -7.060 1.00 0.00 C ATOM 311 OH TYR A 21 3.900 3.120 -7.762 1.00 0.00 O ATOM 0 H TYR A 21 -1.005 7.534 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.287 5.209 -4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.000 7.208 -5.309 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.075 6.997 -3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.129 5.114 -6.980 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.121 5.935 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.362 3.648 -8.334 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.621 4.476 -5.623 1.00 0.00 H new ATOM 0 HH TYR A 21 4.791 3.113 -7.355 1.00 0.00 H new ATOM 321 N SER A 22 0.629 4.787 -2.007 1.00 0.00 N ATOM 322 CA SER A 22 1.187 3.769 -1.116 1.00 0.00 C ATOM 323 C SER A 22 0.097 2.866 -0.532 1.00 0.00 C ATOM 324 O SER A 22 0.304 1.659 -0.419 1.00 0.00 O ATOM 325 CB SER A 22 1.968 4.425 0.023 1.00 0.00 C ATOM 326 OG SER A 22 3.059 5.177 -0.468 1.00 0.00 O ATOM 0 H SER A 22 0.752 5.741 -1.669 1.00 0.00 H new ATOM 0 HA SER A 22 1.859 3.152 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.305 5.074 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.331 3.658 0.707 1.00 0.00 H new ATOM 0 HG SER A 22 2.785 6.110 -0.588 1.00 0.00 H new ATOM 332 N ALA A 23 -1.074 3.440 -0.200 1.00 0.00 N ATOM 333 CA ALA A 23 -2.242 2.677 0.209 1.00 0.00 C ATOM 334 C ALA A 23 -2.722 1.759 -0.912 1.00 0.00 C ATOM 335 O ALA A 23 -2.984 0.609 -0.626 1.00 0.00 O ATOM 336 CB ALA A 23 -3.371 3.586 0.699 1.00 0.00 C ATOM 0 H ALA A 23 -1.225 4.449 -0.212 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.941 2.052 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.225 2.977 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.025 4.167 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.668 4.262 -0.103 1.00 0.00 H new ATOM 342 N LEU A 24 -2.771 2.216 -2.176 1.00 0.00 N ATOM 343 CA LEU A 24 -3.111 1.372 -3.323 1.00 0.00 C ATOM 344 C LEU A 24 -2.192 0.152 -3.388 1.00 0.00 C ATOM 345 O LEU A 24 -2.676 -0.968 -3.559 1.00 0.00 O ATOM 346 CB LEU A 24 -3.094 2.259 -4.596 1.00 0.00 C ATOM 347 CG LEU A 24 -2.818 1.531 -5.921 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.050 0.751 -6.382 1.00 0.00 C ATOM 349 CD2 LEU A 24 -2.377 2.504 -7.015 1.00 0.00 C ATOM 0 H LEU A 24 -2.574 3.185 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.114 0.956 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.057 2.764 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.338 3.033 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.003 0.830 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.829 0.245 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.317 0.013 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.883 1.439 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.191 1.954 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.162 3.241 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.464 3.011 -6.704 1.00 0.00 H new ATOM 361 N ARG A 25 -0.877 0.334 -3.199 1.00 0.00 N ATOM 362 CA ARG A 25 0.081 -0.779 -3.190 1.00 0.00 C ATOM 363 C ARG A 25 -0.205 -1.769 -2.067 1.00 0.00 C ATOM 364 O ARG A 25 -0.298 -2.973 -2.317 1.00 0.00 O ATOM 365 CB ARG A 25 1.510 -0.236 -3.083 1.00 0.00 C ATOM 366 CG ARG A 25 2.523 -1.287 -3.545 1.00 0.00 C ATOM 367 CD ARG A 25 2.554 -1.393 -5.079 1.00 0.00 C ATOM 368 NE ARG A 25 3.931 -1.270 -5.586 1.00 0.00 N ATOM 369 CZ ARG A 25 4.847 -2.230 -5.648 1.00 0.00 C ATOM 370 NH1 ARG A 25 4.574 -3.468 -5.302 1.00 0.00 N ATOM 371 NH2 ARG A 25 6.063 -1.954 -6.057 1.00 0.00 N ATOM 0 H ARG A 25 -0.451 1.249 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.028 -1.322 -4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.609 0.664 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.720 0.050 -2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.515 -1.027 -3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.267 -2.256 -3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.132 -2.348 -5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.931 -0.612 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 25 4.211 -0.350 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.639 -3.712 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.297 -4.185 -5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.306 -1.001 -6.328 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.765 -2.692 -6.104 1.00 0.00 H new ATOM 385 N ARG A 26 -0.308 -1.274 -0.827 1.00 0.00 N ATOM 386 CA ARG A 26 -0.591 -2.085 0.359 1.00 0.00 C ATOM 387 C ARG A 26 -1.943 -2.789 0.245 1.00 0.00 C ATOM 388 O ARG A 26 -2.060 -3.955 0.614 1.00 0.00 O ATOM 389 CB ARG A 26 -0.563 -1.205 1.613 1.00 0.00 C ATOM 390 CG ARG A 26 -0.306 -2.007 2.899 1.00 0.00 C ATOM 391 CD ARG A 26 1.094 -1.722 3.466 1.00 0.00 C ATOM 392 NE ARG A 26 1.133 -1.877 4.929 1.00 0.00 N ATOM 393 CZ ARG A 26 1.962 -1.258 5.762 1.00 0.00 C ATOM 394 NH1 ARG A 26 2.936 -0.496 5.320 1.00 0.00 N ATOM 395 NH2 ARG A 26 1.824 -1.390 7.061 1.00 0.00 N ATOM 0 H ARG A 26 -0.195 -0.282 -0.619 1.00 0.00 H new ATOM 0 HA ARG A 26 0.181 -2.851 0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.213 -0.447 1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.513 -0.678 1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.060 -1.755 3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.407 -3.072 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.816 -2.399 3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.395 -0.709 3.200 1.00 0.00 H new ATOM 0 HE ARG A 26 0.459 -2.521 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.069 -0.369 4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.560 -0.031 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.076 -1.972 7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.465 -0.911 7.693 1.00 0.00 H new ATOM 409 N TYR A 27 -2.936 -2.074 -0.296 1.00 0.00 N ATOM 410 CA TYR A 27 -4.278 -2.549 -0.563 1.00 0.00 C ATOM 411 C TYR A 27 -4.220 -3.699 -1.560 1.00 0.00 C ATOM 412 O TYR A 27 -4.640 -4.781 -1.200 1.00 0.00 O ATOM 413 CB TYR A 27 -5.173 -1.407 -1.055 1.00 0.00 C ATOM 414 CG TYR A 27 -6.640 -1.735 -1.256 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.308 -2.607 -0.373 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.353 -1.122 -2.308 1.00 0.00 C ATOM 417 CE1 TYR A 27 -8.674 -2.885 -0.548 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.725 -1.391 -2.482 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.388 -2.275 -1.606 1.00 0.00 C ATOM 420 OH TYR A 27 -10.699 -2.581 -1.803 1.00 0.00 O ATOM 0 H TYR A 27 -2.808 -1.100 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.722 -2.920 0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.102 -0.586 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.772 -1.043 -2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.767 -3.064 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.846 -0.446 -2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.178 -3.563 0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.269 -0.920 -3.287 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.041 -2.075 -2.569 1.00 0.00 H new ATOM 430 N ILE A 28 -3.664 -3.499 -2.768 1.00 0.00 N ATOM 431 CA ILE A 28 -3.518 -4.569 -3.770 1.00 0.00 C ATOM 432 C ILE A 28 -2.813 -5.796 -3.180 1.00 0.00 C ATOM 433 O ILE A 28 -3.231 -6.926 -3.439 1.00 0.00 O ATOM 434 CB ILE A 28 -2.803 -4.074 -5.041 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.699 -3.098 -5.828 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.429 -5.267 -5.951 1.00 0.00 C ATOM 437 CD1 ILE A 28 -2.883 -2.296 -6.852 1.00 0.00 C ATOM 0 H ILE A 28 -3.305 -2.595 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.524 -4.871 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.896 -3.555 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.484 -3.654 -6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.192 -2.415 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.925 -4.899 -6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.765 -5.942 -5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.334 -5.802 -6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.543 -1.616 -7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.114 -1.721 -6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.412 -2.980 -7.558 1.00 0.00 H new ATOM 448 N ASN A 29 -1.789 -5.598 -2.340 1.00 0.00 N ATOM 449 CA ASN A 29 -1.202 -6.684 -1.566 1.00 0.00 C ATOM 450 C ASN A 29 -2.267 -7.396 -0.714 1.00 0.00 C ATOM 451 O ASN A 29 -2.581 -8.554 -0.949 1.00 0.00 O ATOM 452 CB ASN A 29 -0.035 -6.153 -0.713 1.00 0.00 C ATOM 453 CG ASN A 29 1.275 -6.820 -1.098 1.00 0.00 C ATOM 454 OD1 ASN A 29 1.550 -7.950 -0.750 1.00 0.00 O ATOM 455 ND2 ASN A 29 2.111 -6.113 -1.831 1.00 0.00 N ATOM 0 H ASN A 29 -1.353 -4.689 -2.183 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.801 -7.430 -2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.052 -5.074 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.241 -6.333 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.005 -6.514 -2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.864 -5.165 -2.115 1.00 0.00 H new ATOM 462 N MET A 30 -2.872 -6.680 0.240 1.00 0.00 N ATOM 463 CA MET A 30 -3.905 -7.210 1.126 1.00 0.00 C ATOM 464 C MET A 30 -5.198 -7.668 0.432 1.00 0.00 C ATOM 465 O MET A 30 -6.014 -8.360 1.034 1.00 0.00 O ATOM 466 CB MET A 30 -4.203 -6.222 2.255 1.00 0.00 C ATOM 467 CG MET A 30 -3.123 -6.265 3.345 1.00 0.00 C ATOM 468 SD MET A 30 -3.761 -6.377 5.040 1.00 0.00 S ATOM 469 CE MET A 30 -4.361 -4.690 5.278 1.00 0.00 C ATOM 0 H MET A 30 -2.651 -5.700 0.418 1.00 0.00 H new ATOM 0 HA MET A 30 -3.482 -8.126 1.538 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.270 -5.213 1.848 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.173 -6.453 2.694 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.472 -7.119 3.159 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.506 -5.370 3.262 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.786 -4.593 6.277 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.533 -3.990 5.166 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.127 -4.468 4.535 1.00 0.00 H new