USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 403 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 22 MET CE :methyl -121:sc= -1.79 (180deg=-3.75!) USER MOD Set 1.2: A 65 MET CE :methyl -160:sc= -2.52! (180deg=-3.76!) USER MOD Set 2.1: A 41 GLN : amide:sc= -4.91! C(o=-24!,f=-19!) USER MOD Set 2.2: A 45 ASN : amide:sc= -18.7! C(o=-24!,f=-23!) USER MOD Single : A 17 THR OG1 : rot -45:sc= 0.61 USER MOD Single : A 18 GLN : amide:sc= -0.0185 X(o=-0.019,f=-0.087) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc=-0.000544 (180deg=-0.177) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.72 X(o=-1.7,f=-2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0157) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0992 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.959 USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 1.291 11.145 -2.316 1.00 0.00 N ATOM 262 CA THR A 17 2.436 11.097 -3.210 1.00 0.00 C ATOM 263 C THR A 17 2.974 9.668 -3.310 1.00 0.00 C ATOM 264 O THR A 17 2.778 8.862 -2.402 1.00 0.00 O ATOM 265 CB THR A 17 3.473 12.102 -2.706 1.00 0.00 C ATOM 266 OG1 THR A 17 3.485 11.910 -1.294 1.00 0.00 O ATOM 267 CG2 THR A 17 3.016 13.552 -2.880 1.00 0.00 C ATOM 0 HA THR A 17 2.157 11.379 -4.225 1.00 0.00 H new ATOM 0 HB THR A 17 4.413 11.951 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.564 11.845 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.788 14.224 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.839 13.754 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.094 13.712 -2.321 1.00 0.00 H new ATOM 275 N GLN A 18 3.641 9.398 -4.423 1.00 0.00 N ATOM 276 CA GLN A 18 4.208 8.080 -4.654 1.00 0.00 C ATOM 277 C GLN A 18 5.000 7.621 -3.428 1.00 0.00 C ATOM 278 O GLN A 18 5.045 6.430 -3.124 1.00 0.00 O ATOM 279 CB GLN A 18 5.085 8.073 -5.907 1.00 0.00 C ATOM 280 CG GLN A 18 5.273 6.650 -6.437 1.00 0.00 C ATOM 281 CD GLN A 18 4.696 6.510 -7.847 1.00 0.00 C ATOM 282 OE1 GLN A 18 5.003 7.271 -8.750 1.00 0.00 O ATOM 283 NE2 GLN A 18 3.846 5.496 -7.985 1.00 0.00 N ATOM 0 H GLN A 18 3.801 10.069 -5.174 1.00 0.00 H new ATOM 0 HA GLN A 18 3.391 7.378 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.629 8.695 -6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.057 8.511 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.334 6.399 -6.448 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.785 5.941 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.633 4.897 -7.187 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.407 5.318 -8.888 1.00 0.00 H new ATOM 292 N GLY A 19 5.605 8.590 -2.757 1.00 0.00 N ATOM 293 CA GLY A 19 6.393 8.300 -1.571 1.00 0.00 C ATOM 294 C GLY A 19 5.491 7.931 -0.391 1.00 0.00 C ATOM 295 O GLY A 19 5.795 7.007 0.362 1.00 0.00 O ATOM 0 H GLY A 19 5.565 9.577 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.081 7.480 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.000 9.167 -1.312 1.00 0.00 H new ATOM 299 N GLU A 20 4.401 8.673 -0.266 1.00 0.00 N ATOM 300 CA GLU A 20 3.453 8.435 0.810 1.00 0.00 C ATOM 301 C GLU A 20 2.945 6.993 0.761 1.00 0.00 C ATOM 302 O GLU A 20 2.790 6.350 1.798 1.00 0.00 O ATOM 303 CB GLU A 20 2.291 9.429 0.746 1.00 0.00 C ATOM 304 CG GLU A 20 2.423 10.497 1.834 1.00 0.00 C ATOM 305 CD GLU A 20 2.276 9.882 3.227 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.450 8.953 3.353 1.00 0.00 O ATOM 307 OE2 GLU A 20 2.994 10.356 4.135 1.00 0.00 O ATOM 0 H GLU A 20 4.153 9.439 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 20 3.966 8.586 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.268 9.904 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.347 8.898 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.392 10.989 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.663 11.264 1.689 1.00 0.00 H new ATOM 314 N LEU A 21 2.699 6.527 -0.455 1.00 0.00 N ATOM 315 CA LEU A 21 2.212 5.173 -0.653 1.00 0.00 C ATOM 316 C LEU A 21 3.230 4.181 -0.087 1.00 0.00 C ATOM 317 O LEU A 21 2.855 3.188 0.534 1.00 0.00 O ATOM 318 CB LEU A 21 1.874 4.935 -2.126 1.00 0.00 C ATOM 319 CG LEU A 21 0.753 3.931 -2.404 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.045 2.585 -1.739 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.605 4.496 -1.983 1.00 0.00 C ATOM 0 H LEU A 21 2.828 7.064 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 21 1.281 5.020 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.599 5.890 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.775 4.593 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 21 0.710 3.756 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.233 1.890 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.980 2.182 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.131 2.723 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.384 3.763 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.592 4.718 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.808 5.410 -2.541 1.00 0.00 H new ATOM 333 N MET A 22 4.498 4.485 -0.323 1.00 0.00 N ATOM 334 CA MET A 22 5.573 3.632 0.156 1.00 0.00 C ATOM 335 C MET A 22 5.490 3.444 1.672 1.00 0.00 C ATOM 336 O MET A 22 5.343 2.322 2.154 1.00 0.00 O ATOM 337 CB MET A 22 6.921 4.258 -0.208 1.00 0.00 C ATOM 338 CG MET A 22 7.034 4.477 -1.718 1.00 0.00 C ATOM 339 SD MET A 22 8.741 4.358 -2.226 1.00 0.00 S ATOM 340 CE MET A 22 9.012 2.609 -1.998 1.00 0.00 C ATOM 0 H MET A 22 4.805 5.309 -0.839 1.00 0.00 H new ATOM 0 HA MET A 22 5.476 2.655 -0.318 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.036 5.210 0.311 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.730 3.611 0.131 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.436 3.735 -2.247 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.635 5.456 -1.983 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.824 2.456 -1.287 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.102 2.147 -1.615 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.275 2.154 -2.953 1.00 0.00 H new ATOM 350 N LYS A 23 5.587 4.559 2.381 1.00 0.00 N ATOM 351 CA LYS A 23 5.524 4.530 3.832 1.00 0.00 C ATOM 352 C LYS A 23 4.178 3.950 4.269 1.00 0.00 C ATOM 353 O LYS A 23 4.065 3.385 5.356 1.00 0.00 O ATOM 354 CB LYS A 23 5.812 5.918 4.408 1.00 0.00 C ATOM 355 CG LYS A 23 6.650 5.820 5.684 1.00 0.00 C ATOM 356 CD LYS A 23 6.958 7.209 6.247 1.00 0.00 C ATOM 357 CE LYS A 23 7.865 7.114 7.475 1.00 0.00 C ATOM 358 NZ LYS A 23 9.221 6.667 7.086 1.00 0.00 N ATOM 0 H LYS A 23 5.709 5.488 1.978 1.00 0.00 H new ATOM 0 HA LYS A 23 6.298 3.876 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.339 6.520 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.873 6.428 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.115 5.232 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.581 5.295 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.439 7.817 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.028 7.711 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.923 8.085 7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.439 6.416 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.880 6.833 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.200 5.652 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.537 7.202 6.252 1.00 0.00 H new ATOM 372 N LEU A 24 3.190 4.111 3.400 1.00 0.00 N ATOM 373 CA LEU A 24 1.856 3.610 3.683 1.00 0.00 C ATOM 374 C LEU A 24 1.888 2.081 3.725 1.00 0.00 C ATOM 375 O LEU A 24 1.295 1.468 4.611 1.00 0.00 O ATOM 376 CB LEU A 24 0.848 4.177 2.682 1.00 0.00 C ATOM 377 CG LEU A 24 -0.003 5.348 3.177 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.478 6.214 2.008 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.170 4.854 4.035 1.00 0.00 C ATOM 0 H LEU A 24 3.287 4.581 2.500 1.00 0.00 H new ATOM 0 HA LEU A 24 1.522 3.949 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.390 4.498 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.180 3.373 2.374 1.00 0.00 H new ATOM 0 HG LEU A 24 0.620 5.978 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.081 7.039 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.386 6.611 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.078 5.610 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.759 5.706 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.800 4.190 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.783 4.314 4.899 1.00 0.00 H new ATOM 391 N ILE A 25 2.586 1.509 2.755 1.00 0.00 N ATOM 392 CA ILE A 25 2.703 0.063 2.669 1.00 0.00 C ATOM 393 C ILE A 25 3.526 -0.448 3.853 1.00 0.00 C ATOM 394 O ILE A 25 3.161 -1.437 4.487 1.00 0.00 O ATOM 395 CB ILE A 25 3.264 -0.350 1.307 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.142 -0.509 0.278 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.117 -1.614 1.425 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.703 -0.532 -1.145 1.00 0.00 C ATOM 0 H ILE A 25 3.076 2.021 2.022 1.00 0.00 H new ATOM 0 HA ILE A 25 1.720 -0.403 2.737 1.00 0.00 H new ATOM 0 HB ILE A 25 3.918 0.446 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.594 -1.431 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.432 0.311 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.503 -1.885 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.950 -1.429 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.507 -2.430 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.885 -0.646 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.230 0.401 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.394 -1.368 -1.250 1.00 0.00 H new ATOM 410 N LYS A 26 4.622 0.248 4.116 1.00 0.00 N ATOM 411 CA LYS A 26 5.500 -0.123 5.213 1.00 0.00 C ATOM 412 C LYS A 26 4.742 0.012 6.535 1.00 0.00 C ATOM 413 O LYS A 26 5.005 -0.727 7.483 1.00 0.00 O ATOM 414 CB LYS A 26 6.795 0.690 5.161 1.00 0.00 C ATOM 415 CG LYS A 26 7.765 0.246 6.258 1.00 0.00 C ATOM 416 CD LYS A 26 8.573 -0.975 5.813 1.00 0.00 C ATOM 417 CE LYS A 26 9.418 -1.523 6.965 1.00 0.00 C ATOM 418 NZ LYS A 26 10.848 -1.564 6.586 1.00 0.00 N ATOM 0 H LYS A 26 4.922 1.067 3.588 1.00 0.00 H new ATOM 0 HA LYS A 26 5.802 -1.166 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.265 0.570 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.568 1.750 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.442 1.065 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.210 0.008 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.898 -1.751 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.221 -0.703 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.288 -0.898 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.077 -2.524 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.407 -1.938 7.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.970 -2.179 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.174 -0.604 6.356 1.00 0.00 H new ATOM 432 N GLU A 27 3.816 0.959 6.556 1.00 0.00 N ATOM 433 CA GLU A 27 3.018 1.200 7.746 1.00 0.00 C ATOM 434 C GLU A 27 2.285 -0.077 8.161 1.00 0.00 C ATOM 435 O GLU A 27 2.171 -0.374 9.349 1.00 0.00 O ATOM 436 CB GLU A 27 2.034 2.350 7.523 1.00 0.00 C ATOM 437 CG GLU A 27 1.807 3.136 8.816 1.00 0.00 C ATOM 438 CD GLU A 27 0.320 3.424 9.030 1.00 0.00 C ATOM 439 OE1 GLU A 27 -0.487 2.547 8.653 1.00 0.00 O ATOM 440 OE2 GLU A 27 0.024 4.514 9.565 1.00 0.00 O ATOM 0 H GLU A 27 3.600 1.569 5.767 1.00 0.00 H new ATOM 0 HA GLU A 27 3.687 1.491 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.417 3.017 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.084 1.956 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.197 2.571 9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.361 4.074 8.777 1.00 0.00 H new ATOM 447 N ILE A 28 1.806 -0.798 7.158 1.00 0.00 N ATOM 448 CA ILE A 28 1.087 -2.037 7.403 1.00 0.00 C ATOM 449 C ILE A 28 2.054 -3.080 7.966 1.00 0.00 C ATOM 450 O ILE A 28 1.714 -3.810 8.896 1.00 0.00 O ATOM 451 CB ILE A 28 0.357 -2.493 6.138 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.011 -1.818 6.020 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.251 -4.018 6.086 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.948 -0.612 5.081 1.00 0.00 C ATOM 0 H ILE A 28 1.902 -0.548 6.174 1.00 0.00 H new ATOM 0 HA ILE A 28 0.310 -1.885 8.153 1.00 0.00 H new ATOM 0 HB ILE A 28 0.944 -2.182 5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.743 -2.535 5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.349 -1.499 7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.272 -4.316 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.251 -4.452 6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.301 -4.374 6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.933 -0.151 5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.233 0.114 5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.633 -0.939 4.090 1.00 0.00 H new ATOM 466 N VAL A 29 3.240 -3.119 7.377 1.00 0.00 N ATOM 467 CA VAL A 29 4.259 -4.061 7.808 1.00 0.00 C ATOM 468 C VAL A 29 4.914 -3.546 9.091 1.00 0.00 C ATOM 469 O VAL A 29 5.850 -4.159 9.604 1.00 0.00 O ATOM 470 CB VAL A 29 5.263 -4.299 6.678 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.769 -5.743 6.690 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.655 -3.942 5.320 1.00 0.00 C ATOM 0 H VAL A 29 3.518 -2.513 6.605 1.00 0.00 H new ATOM 0 HA VAL A 29 3.812 -5.028 8.037 1.00 0.00 H new ATOM 0 HB VAL A 29 6.117 -3.643 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.481 -5.886 5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.259 -5.949 7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.928 -6.424 6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.389 -4.120 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.775 -4.560 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.367 -2.891 5.315 1.00 0.00 H new ATOM 482 N GLU A 30 4.397 -2.426 9.573 1.00 0.00 N ATOM 483 CA GLU A 30 4.920 -1.821 10.787 1.00 0.00 C ATOM 484 C GLU A 30 4.585 -2.691 12.000 1.00 0.00 C ATOM 485 O GLU A 30 5.246 -2.603 13.033 1.00 0.00 O ATOM 486 CB GLU A 30 4.384 -0.400 10.966 1.00 0.00 C ATOM 487 CG GLU A 30 5.363 0.458 11.770 1.00 0.00 C ATOM 488 CD GLU A 30 4.617 1.468 12.645 1.00 0.00 C ATOM 489 OE1 GLU A 30 3.404 1.645 12.399 1.00 0.00 O ATOM 490 OE2 GLU A 30 5.277 2.040 13.539 1.00 0.00 O ATOM 0 H GLU A 30 3.621 -1.921 9.145 1.00 0.00 H new ATOM 0 HA GLU A 30 6.005 -1.756 10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.214 0.054 9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.421 -0.432 11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.984 -0.183 12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.033 0.985 11.091 1.00 0.00 H new ATOM 497 N ASN A 31 3.559 -3.513 11.834 1.00 0.00 N ATOM 498 CA ASN A 31 3.129 -4.398 12.902 1.00 0.00 C ATOM 499 C ASN A 31 2.367 -5.582 12.302 1.00 0.00 C ATOM 500 O ASN A 31 1.207 -5.813 12.639 1.00 0.00 O ATOM 501 CB ASN A 31 2.192 -3.676 13.872 1.00 0.00 C ATOM 502 CG ASN A 31 0.876 -3.300 13.187 1.00 0.00 C ATOM 503 OD1 ASN A 31 -0.161 -3.905 13.403 1.00 0.00 O ATOM 504 ND2 ASN A 31 0.977 -2.271 12.351 1.00 0.00 N ATOM 0 H ASN A 31 3.013 -3.584 10.975 1.00 0.00 H new ATOM 0 HA ASN A 31 4.016 -4.733 13.439 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.989 -4.316 14.731 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.678 -2.777 14.252 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.155 -1.943 11.844 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.877 -1.809 12.217 1.00 0.00 H new ATOM 511 N GLU A 32 3.051 -6.300 11.424 1.00 0.00 N ATOM 512 CA GLU A 32 2.453 -7.454 10.774 1.00 0.00 C ATOM 513 C GLU A 32 2.085 -8.517 11.812 1.00 0.00 C ATOM 514 O GLU A 32 1.924 -8.208 12.992 1.00 0.00 O ATOM 515 CB GLU A 32 3.389 -8.029 9.709 1.00 0.00 C ATOM 516 CG GLU A 32 4.610 -8.691 10.351 1.00 0.00 C ATOM 517 CD GLU A 32 5.061 -9.910 9.543 1.00 0.00 C ATOM 518 OE1 GLU A 32 4.451 -10.982 9.745 1.00 0.00 O ATOM 519 OE2 GLU A 32 6.006 -9.741 8.743 1.00 0.00 O ATOM 0 H GLU A 32 4.013 -6.105 11.147 1.00 0.00 H new ATOM 0 HA GLU A 32 1.540 -7.132 10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.852 -8.759 9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.713 -7.234 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.426 -7.971 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.370 -8.994 11.370 1.00 0.00 H new ATOM 526 N ASP A 33 1.963 -9.747 11.335 1.00 0.00 N ATOM 527 CA ASP A 33 1.617 -10.857 12.207 1.00 0.00 C ATOM 528 C ASP A 33 2.064 -12.168 11.558 1.00 0.00 C ATOM 529 O ASP A 33 2.352 -12.207 10.362 1.00 0.00 O ATOM 530 CB ASP A 33 0.105 -10.931 12.431 1.00 0.00 C ATOM 531 CG ASP A 33 -0.321 -11.522 13.776 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.495 -11.433 14.719 1.00 0.00 O ATOM 533 OD2 ASP A 33 -1.453 -12.049 13.831 1.00 0.00 O ATOM 0 H ASP A 33 2.098 -10.000 10.356 1.00 0.00 H new ATOM 0 HA ASP A 33 2.116 -10.703 13.164 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.309 -9.927 12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.337 -11.528 11.633 1.00 0.00 H new ATOM 538 N LYS A 34 2.108 -13.210 12.374 1.00 0.00 N ATOM 539 CA LYS A 34 2.515 -14.520 11.894 1.00 0.00 C ATOM 540 C LYS A 34 1.432 -15.078 10.968 1.00 0.00 C ATOM 541 O LYS A 34 1.652 -15.224 9.767 1.00 0.00 O ATOM 542 CB LYS A 34 2.852 -15.440 13.069 1.00 0.00 C ATOM 543 CG LYS A 34 4.358 -15.447 13.345 1.00 0.00 C ATOM 544 CD LYS A 34 4.725 -14.412 14.410 1.00 0.00 C ATOM 545 CE LYS A 34 6.125 -14.672 14.968 1.00 0.00 C ATOM 546 NZ LYS A 34 6.576 -13.528 15.791 1.00 0.00 N ATOM 0 H LYS A 34 1.869 -13.174 13.365 1.00 0.00 H new ATOM 0 HA LYS A 34 3.430 -14.443 11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.317 -15.110 13.959 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.514 -16.453 12.851 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.666 -16.439 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.901 -15.235 12.424 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.681 -13.411 13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.996 -14.443 15.219 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.120 -15.581 15.570 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.825 -14.836 14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.528 -13.721 16.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.600 -12.668 15.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.917 -13.390 16.584 1.00 0.00 H new ATOM 560 N ARG A 35 0.286 -15.376 11.562 1.00 0.00 N ATOM 561 CA ARG A 35 -0.832 -15.914 10.806 1.00 0.00 C ATOM 562 C ARG A 35 -1.475 -14.817 9.955 1.00 0.00 C ATOM 563 O ARG A 35 -2.401 -15.082 9.190 1.00 0.00 O ATOM 564 CB ARG A 35 -1.888 -16.515 11.735 1.00 0.00 C ATOM 565 CG ARG A 35 -2.057 -18.014 11.478 1.00 0.00 C ATOM 566 CD ARG A 35 -3.251 -18.281 10.559 1.00 0.00 C ATOM 567 NE ARG A 35 -3.692 -19.687 10.699 1.00 0.00 N ATOM 568 CZ ARG A 35 -4.474 -20.320 9.814 1.00 0.00 C ATOM 569 NH1 ARG A 35 -4.906 -19.677 8.720 1.00 0.00 N ATOM 570 NH2 ARG A 35 -4.825 -21.596 10.023 1.00 0.00 N ATOM 0 H ARG A 35 0.107 -15.255 12.559 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.445 -16.701 10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.600 -16.351 12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.841 -16.007 11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.149 -18.414 11.026 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.198 -18.535 12.425 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.071 -17.607 10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.976 -18.079 9.524 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.381 -20.206 11.520 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.639 -18.705 8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.501 -20.159 8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.497 -22.085 10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.420 -22.078 9.349 1.00 0.00 H new ATOM 584 N LYS A 36 -0.959 -13.608 10.118 1.00 0.00 N ATOM 585 CA LYS A 36 -1.472 -12.469 9.374 1.00 0.00 C ATOM 586 C LYS A 36 -0.311 -11.544 9.003 1.00 0.00 C ATOM 587 O LYS A 36 -0.107 -10.512 9.642 1.00 0.00 O ATOM 588 CB LYS A 36 -2.586 -11.774 10.160 1.00 0.00 C ATOM 589 CG LYS A 36 -3.964 -12.206 9.654 1.00 0.00 C ATOM 590 CD LYS A 36 -4.662 -11.059 8.920 1.00 0.00 C ATOM 591 CE LYS A 36 -6.073 -10.835 9.468 1.00 0.00 C ATOM 592 NZ LYS A 36 -6.014 -10.238 10.821 1.00 0.00 N ATOM 0 H LYS A 36 -0.191 -13.392 10.754 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.929 -12.797 8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.492 -12.013 11.219 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.482 -10.693 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.859 -13.060 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.578 -12.533 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.077 -10.145 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.713 -11.282 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.630 -10.179 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.610 -11.783 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.972 -9.968 11.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.623 -10.932 11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.406 -9.395 10.802 1.00 0.00 H new ATOM 606 N PRO A 37 0.437 -11.956 7.946 1.00 0.00 N ATOM 607 CA PRO A 37 1.572 -11.175 7.482 1.00 0.00 C ATOM 608 C PRO A 37 1.107 -9.936 6.714 1.00 0.00 C ATOM 609 O PRO A 37 -0.038 -9.510 6.851 1.00 0.00 O ATOM 610 CB PRO A 37 2.385 -12.133 6.627 1.00 0.00 C ATOM 611 CG PRO A 37 1.444 -13.270 6.264 1.00 0.00 C ATOM 612 CD PRO A 37 0.225 -13.172 7.166 1.00 0.00 C ATOM 0 HA PRO A 37 2.175 -10.782 8.300 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.760 -11.636 5.732 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.253 -12.503 7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.150 -13.203 5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.939 -14.232 6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.695 -13.114 6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.139 -14.046 7.811 1.00 0.00 H new ATOM 620 N TYR A 38 2.021 -9.392 5.924 1.00 0.00 N ATOM 621 CA TYR A 38 1.719 -8.210 5.134 1.00 0.00 C ATOM 622 C TYR A 38 2.594 -8.151 3.880 1.00 0.00 C ATOM 623 O TYR A 38 3.258 -7.146 3.629 1.00 0.00 O ATOM 624 CB TYR A 38 2.047 -7.012 6.027 1.00 0.00 C ATOM 625 CG TYR A 38 0.900 -6.591 6.948 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.403 -6.651 6.499 1.00 0.00 C ATOM 627 CD2 TYR A 38 1.170 -6.150 8.228 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.483 -6.255 7.366 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.090 -5.754 9.095 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.183 -5.825 8.621 1.00 0.00 C ATOM 631 OH TYR A 38 -2.202 -5.451 9.440 1.00 0.00 O ATOM 0 H TYR A 38 2.971 -9.748 5.814 1.00 0.00 H new ATOM 0 HA TYR A 38 0.678 -8.219 4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.918 -7.253 6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.323 -6.166 5.397 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.613 -6.995 5.497 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.190 -6.102 8.579 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.508 -6.299 7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.287 -5.408 10.099 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.839 -5.168 10.305 1.00 0.00 H new ATOM 641 N SER A 39 2.567 -9.240 3.126 1.00 0.00 N ATOM 642 CA SER A 39 3.349 -9.324 1.904 1.00 0.00 C ATOM 643 C SER A 39 2.695 -8.484 0.806 1.00 0.00 C ATOM 644 O SER A 39 1.560 -8.034 0.956 1.00 0.00 O ATOM 645 CB SER A 39 3.498 -10.776 1.445 1.00 0.00 C ATOM 646 OG SER A 39 2.495 -11.619 2.006 1.00 0.00 O ATOM 0 H SER A 39 2.016 -10.072 3.338 1.00 0.00 H new ATOM 0 HA SER A 39 4.345 -8.932 2.107 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.442 -10.820 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.483 -11.147 1.728 1.00 0.00 H new ATOM 0 HG SER A 39 2.623 -12.537 1.688 1.00 0.00 H new ATOM 652 N ASP A 40 3.439 -8.299 -0.275 1.00 0.00 N ATOM 653 CA ASP A 40 2.946 -7.521 -1.399 1.00 0.00 C ATOM 654 C ASP A 40 1.538 -7.995 -1.763 1.00 0.00 C ATOM 655 O ASP A 40 0.736 -7.224 -2.289 1.00 0.00 O ATOM 656 CB ASP A 40 3.838 -7.702 -2.628 1.00 0.00 C ATOM 657 CG ASP A 40 4.611 -9.021 -2.677 1.00 0.00 C ATOM 658 OD1 ASP A 40 5.400 -9.252 -1.735 1.00 0.00 O ATOM 659 OD2 ASP A 40 4.396 -9.769 -3.655 1.00 0.00 O ATOM 0 H ASP A 40 4.380 -8.675 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 40 2.944 -6.471 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.219 -7.628 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.551 -6.879 -2.665 1.00 0.00 H new ATOM 664 N GLN A 41 1.279 -9.260 -1.468 1.00 0.00 N ATOM 665 CA GLN A 41 -0.019 -9.846 -1.757 1.00 0.00 C ATOM 666 C GLN A 41 -1.094 -9.222 -0.865 1.00 0.00 C ATOM 667 O GLN A 41 -2.018 -8.577 -1.359 1.00 0.00 O ATOM 668 CB GLN A 41 0.016 -11.366 -1.591 1.00 0.00 C ATOM 669 CG GLN A 41 -1.333 -11.896 -1.102 1.00 0.00 C ATOM 670 CD GLN A 41 -2.444 -11.574 -2.103 1.00 0.00 C ATOM 671 OE1 GLN A 41 -2.219 -11.427 -3.293 1.00 0.00 O ATOM 672 NE2 GLN A 41 -3.652 -11.473 -1.556 1.00 0.00 N ATOM 0 H GLN A 41 1.946 -9.896 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.268 -9.633 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.271 -11.833 -2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.797 -11.640 -0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.272 -12.974 -0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.572 -11.455 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.770 -11.608 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.460 -11.261 -2.141 1.00 0.00 H new ATOM 681 N GLU A 42 -0.938 -9.435 0.433 1.00 0.00 N ATOM 682 CA GLU A 42 -1.883 -8.901 1.398 1.00 0.00 C ATOM 683 C GLU A 42 -2.015 -7.386 1.231 1.00 0.00 C ATOM 684 O GLU A 42 -3.054 -6.894 0.796 1.00 0.00 O ATOM 685 CB GLU A 42 -1.471 -9.261 2.827 1.00 0.00 C ATOM 686 CG GLU A 42 -2.699 -9.487 3.711 1.00 0.00 C ATOM 687 CD GLU A 42 -2.323 -10.242 4.988 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.707 -11.321 4.849 1.00 0.00 O ATOM 689 OE2 GLU A 42 -2.661 -9.724 6.074 1.00 0.00 O ATOM 0 H GLU A 42 -0.171 -9.971 0.839 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.857 -9.353 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.856 -10.161 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.859 -8.462 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.147 -8.528 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.451 -10.051 3.159 1.00 0.00 H new ATOM 696 N ILE A 43 -0.945 -6.689 1.585 1.00 0.00 N ATOM 697 CA ILE A 43 -0.928 -5.240 1.480 1.00 0.00 C ATOM 698 C ILE A 43 -1.746 -4.812 0.260 1.00 0.00 C ATOM 699 O ILE A 43 -2.443 -3.799 0.300 1.00 0.00 O ATOM 700 CB ILE A 43 0.512 -4.721 1.468 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.898 -4.145 2.833 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.721 -3.709 0.340 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.404 -4.269 3.073 1.00 0.00 C ATOM 0 H ILE A 43 -0.084 -7.101 1.945 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.398 -4.789 2.354 1.00 0.00 H new ATOM 0 HB ILE A 43 1.177 -5.562 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.602 -3.097 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.356 -4.670 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.752 -3.356 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.513 -4.185 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.047 -2.864 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.652 -3.853 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.692 -5.320 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.942 -3.723 2.298 1.00 0.00 H new ATOM 715 N ALA A 44 -1.633 -5.604 -0.796 1.00 0.00 N ATOM 716 CA ALA A 44 -2.353 -5.319 -2.026 1.00 0.00 C ATOM 717 C ALA A 44 -3.853 -5.261 -1.731 1.00 0.00 C ATOM 718 O ALA A 44 -4.515 -4.276 -2.055 1.00 0.00 O ATOM 719 CB ALA A 44 -2.006 -6.376 -3.077 1.00 0.00 C ATOM 0 H ALA A 44 -1.054 -6.443 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.058 -4.350 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.546 -6.163 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.934 -6.357 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.291 -7.362 -2.710 1.00 0.00 H new ATOM 725 N ASN A 45 -4.346 -6.328 -1.119 1.00 0.00 N ATOM 726 CA ASN A 45 -5.755 -6.409 -0.777 1.00 0.00 C ATOM 727 C ASN A 45 -6.068 -5.396 0.327 1.00 0.00 C ATOM 728 O ASN A 45 -7.233 -5.127 0.615 1.00 0.00 O ATOM 729 CB ASN A 45 -6.116 -7.802 -0.255 1.00 0.00 C ATOM 730 CG ASN A 45 -4.872 -8.538 0.248 1.00 0.00 C ATOM 731 OD1 ASN A 45 -4.547 -8.529 1.424 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.196 -9.173 -0.706 1.00 0.00 N ATOM 0 H ASN A 45 -3.794 -7.143 -0.851 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.332 -6.199 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.843 -7.715 0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.589 -8.380 -1.048 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.350 -9.693 -0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.524 -9.140 -1.671 1.00 0.00 H new ATOM 739 N ILE A 46 -5.007 -4.863 0.914 1.00 0.00 N ATOM 740 CA ILE A 46 -5.153 -3.885 1.979 1.00 0.00 C ATOM 741 C ILE A 46 -5.409 -2.506 1.368 1.00 0.00 C ATOM 742 O ILE A 46 -6.315 -1.793 1.795 1.00 0.00 O ATOM 743 CB ILE A 46 -3.944 -3.928 2.915 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.074 -5.069 3.927 1.00 0.00 C ATOM 745 CG2 ILE A 46 -3.732 -2.577 3.600 1.00 0.00 C ATOM 746 CD1 ILE A 46 -2.972 -4.991 4.986 1.00 0.00 C ATOM 0 H ILE A 46 -4.042 -5.090 0.672 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.016 -4.124 2.600 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.056 -4.128 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.050 -5.023 4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.019 -6.027 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.866 -2.635 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.562 -1.809 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.616 -2.322 4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.087 -5.813 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.997 -5.062 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.045 -4.042 5.518 1.00 0.00 H new ATOM 758 N LEU A 47 -4.594 -2.172 0.378 1.00 0.00 N ATOM 759 CA LEU A 47 -4.721 -0.891 -0.296 1.00 0.00 C ATOM 760 C LEU A 47 -6.138 -0.753 -0.857 1.00 0.00 C ATOM 761 O LEU A 47 -6.699 0.341 -0.872 1.00 0.00 O ATOM 762 CB LEU A 47 -3.624 -0.729 -1.350 1.00 0.00 C ATOM 763 CG LEU A 47 -2.234 -0.367 -0.821 1.00 0.00 C ATOM 764 CD1 LEU A 47 -2.162 -0.544 0.697 1.00 0.00 C ATOM 765 CD2 LEU A 47 -1.147 -1.166 -1.543 1.00 0.00 C ATOM 0 H LEU A 47 -3.843 -2.766 0.027 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.576 -0.073 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.546 -1.660 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.935 0.042 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.052 0.687 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.164 -0.280 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.897 0.104 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.374 -1.582 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.169 -0.890 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.314 -2.232 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.182 -0.947 -2.610 1.00 0.00 H new ATOM 777 N LYS A 48 -6.674 -1.879 -1.306 1.00 0.00 N ATOM 778 CA LYS A 48 -8.015 -1.897 -1.866 1.00 0.00 C ATOM 779 C LYS A 48 -9.001 -1.342 -0.837 1.00 0.00 C ATOM 780 O LYS A 48 -9.934 -0.622 -1.192 1.00 0.00 O ATOM 781 CB LYS A 48 -8.369 -3.301 -2.362 1.00 0.00 C ATOM 782 CG LYS A 48 -9.014 -3.246 -3.748 1.00 0.00 C ATOM 783 CD LYS A 48 -9.316 -4.653 -4.269 1.00 0.00 C ATOM 784 CE LYS A 48 -10.499 -5.271 -3.522 1.00 0.00 C ATOM 785 NZ LYS A 48 -10.306 -6.730 -3.362 1.00 0.00 N ATOM 0 H LYS A 48 -6.204 -2.784 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.071 -1.250 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.469 -3.915 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.051 -3.778 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.936 -2.666 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.349 -2.732 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.537 -4.610 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.436 -5.285 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.604 -4.803 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.422 -5.078 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.118 -7.134 -2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.229 -7.175 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.435 -6.908 -2.822 1.00 0.00 H new ATOM 799 N GLU A 49 -8.762 -1.696 0.417 1.00 0.00 N ATOM 800 CA GLU A 49 -9.617 -1.242 1.499 1.00 0.00 C ATOM 801 C GLU A 49 -9.536 0.279 1.638 1.00 0.00 C ATOM 802 O GLU A 49 -10.466 0.912 2.137 1.00 0.00 O ATOM 803 CB GLU A 49 -9.251 -1.933 2.815 1.00 0.00 C ATOM 804 CG GLU A 49 -8.199 -1.128 3.582 1.00 0.00 C ATOM 805 CD GLU A 49 -8.848 -0.288 4.684 1.00 0.00 C ATOM 806 OE1 GLU A 49 -9.497 0.718 4.323 1.00 0.00 O ATOM 807 OE2 GLU A 49 -8.681 -0.671 5.862 1.00 0.00 O ATOM 0 H GLU A 49 -7.987 -2.293 0.708 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.646 -1.511 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.144 -2.050 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.871 -2.934 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.466 -1.805 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.660 -0.477 2.893 1.00 0.00 H new ATOM 885 N VAL A 54 -3.112 0.635 -6.390 1.00 0.00 N ATOM 886 CA VAL A 54 -2.016 -0.312 -6.274 1.00 0.00 C ATOM 887 C VAL A 54 -2.410 -1.626 -6.953 1.00 0.00 C ATOM 888 O VAL A 54 -3.297 -1.647 -7.805 1.00 0.00 O ATOM 889 CB VAL A 54 -1.632 -0.491 -4.804 1.00 0.00 C ATOM 890 CG1 VAL A 54 -0.117 -0.639 -4.648 1.00 0.00 C ATOM 891 CG2 VAL A 54 -2.160 0.667 -3.955 1.00 0.00 C ATOM 0 HA VAL A 54 -1.130 0.065 -6.784 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.097 -1.409 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.130 -0.765 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.223 -1.511 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.377 0.253 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.873 0.515 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.737 1.605 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.247 0.707 -4.030 1.00 0.00 H new ATOM 901 N ALA A 55 -1.730 -2.690 -6.550 1.00 0.00 N ATOM 902 CA ALA A 55 -1.997 -4.004 -7.109 1.00 0.00 C ATOM 903 C ALA A 55 -0.785 -4.908 -6.877 1.00 0.00 C ATOM 904 O ALA A 55 0.353 -4.442 -6.889 1.00 0.00 O ATOM 905 CB ALA A 55 -2.347 -3.867 -8.592 1.00 0.00 C ATOM 0 H ALA A 55 -0.995 -2.668 -5.843 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.852 -4.465 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.547 -4.853 -9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.232 -3.240 -8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.511 -3.410 -9.122 1.00 0.00 H new ATOM 911 N ARG A 56 -1.070 -6.186 -6.671 1.00 0.00 N ATOM 912 CA ARG A 56 -0.018 -7.159 -6.437 1.00 0.00 C ATOM 913 C ARG A 56 1.245 -6.772 -7.210 1.00 0.00 C ATOM 914 O ARG A 56 2.348 -6.823 -6.669 1.00 0.00 O ATOM 915 CB ARG A 56 -0.459 -8.561 -6.863 1.00 0.00 C ATOM 916 CG ARG A 56 -1.171 -8.524 -8.216 1.00 0.00 C ATOM 917 CD ARG A 56 -2.002 -9.790 -8.434 1.00 0.00 C ATOM 918 NE ARG A 56 -3.371 -9.430 -8.864 1.00 0.00 N ATOM 919 CZ ARG A 56 -3.710 -9.142 -10.128 1.00 0.00 C ATOM 920 NH1 ARG A 56 -2.781 -9.170 -11.094 1.00 0.00 N ATOM 921 NH2 ARG A 56 -4.977 -8.825 -10.427 1.00 0.00 N ATOM 0 H ARG A 56 -2.015 -6.569 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 56 0.194 -7.167 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.410 -9.217 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.125 -8.982 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.817 -7.648 -8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.436 -8.425 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.529 -10.420 -9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.043 -10.371 -7.513 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.103 -9.399 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.816 -9.411 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.039 -8.951 -12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.684 -8.803 -9.692 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.234 -8.606 -11.389 1.00 0.00 H new ATOM 935 N ARG A 57 1.040 -6.394 -8.463 1.00 0.00 N ATOM 936 CA ARG A 57 2.148 -5.999 -9.316 1.00 0.00 C ATOM 937 C ARG A 57 2.869 -4.787 -8.722 1.00 0.00 C ATOM 938 O ARG A 57 4.079 -4.827 -8.501 1.00 0.00 O ATOM 939 CB ARG A 57 1.663 -5.655 -10.725 1.00 0.00 C ATOM 940 CG ARG A 57 2.417 -6.468 -11.779 1.00 0.00 C ATOM 941 CD ARG A 57 3.022 -5.555 -12.847 1.00 0.00 C ATOM 942 NE ARG A 57 2.784 -6.123 -14.193 1.00 0.00 N ATOM 943 CZ ARG A 57 3.045 -5.478 -15.338 1.00 0.00 C ATOM 944 NH1 ARG A 57 3.555 -4.239 -15.308 1.00 0.00 N ATOM 945 NH2 ARG A 57 2.797 -6.072 -16.513 1.00 0.00 N ATOM 0 H ARG A 57 0.123 -6.353 -8.908 1.00 0.00 H new ATOM 0 HA ARG A 57 2.836 -6.842 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.594 -5.853 -10.804 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.804 -4.591 -10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.207 -7.047 -11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.739 -7.181 -12.247 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.580 -4.561 -12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.092 -5.441 -12.676 1.00 0.00 H new ATOM 0 HE ARG A 57 2.397 -7.065 -14.253 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.744 -3.787 -14.413 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.754 -3.748 -16.180 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.409 -7.015 -16.536 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.996 -5.581 -17.385 1.00 0.00 H new ATOM 959 N THR A 58 2.096 -3.739 -8.480 1.00 0.00 N ATOM 960 CA THR A 58 2.646 -2.518 -7.915 1.00 0.00 C ATOM 961 C THR A 58 3.267 -2.796 -6.545 1.00 0.00 C ATOM 962 O THR A 58 4.392 -2.379 -6.273 1.00 0.00 O ATOM 963 CB THR A 58 1.530 -1.471 -7.876 1.00 0.00 C ATOM 964 OG1 THR A 58 1.627 -0.814 -9.137 1.00 0.00 O ATOM 965 CG2 THR A 58 1.803 -0.364 -6.856 1.00 0.00 C ATOM 0 H THR A 58 1.093 -3.710 -8.665 1.00 0.00 H new ATOM 0 HA THR A 58 3.457 -2.128 -8.530 1.00 0.00 H new ATOM 0 HB THR A 58 0.583 -1.957 -7.640 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.938 -0.120 -9.198 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.982 0.353 -6.868 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.890 -0.800 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.732 0.145 -7.111 1.00 0.00 H new ATOM 973 N VAL A 59 2.507 -3.499 -5.718 1.00 0.00 N ATOM 974 CA VAL A 59 2.968 -3.838 -4.383 1.00 0.00 C ATOM 975 C VAL A 59 4.287 -4.607 -4.484 1.00 0.00 C ATOM 976 O VAL A 59 5.221 -4.347 -3.726 1.00 0.00 O ATOM 977 CB VAL A 59 1.881 -4.611 -3.634 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.102 -4.540 -2.121 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.488 -4.100 -4.009 1.00 0.00 C ATOM 0 H VAL A 59 1.575 -3.843 -5.947 1.00 0.00 H new ATOM 0 HA VAL A 59 3.162 -2.934 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 59 1.946 -5.657 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.316 -5.097 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.072 -4.973 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.076 -3.499 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.266 -4.666 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.406 -3.044 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.331 -4.225 -5.080 1.00 0.00 H new ATOM 989 N ALA A 60 4.322 -5.538 -5.425 1.00 0.00 N ATOM 990 CA ALA A 60 5.510 -6.347 -5.635 1.00 0.00 C ATOM 991 C ALA A 60 6.729 -5.431 -5.766 1.00 0.00 C ATOM 992 O ALA A 60 7.789 -5.720 -5.213 1.00 0.00 O ATOM 993 CB ALA A 60 5.314 -7.234 -6.866 1.00 0.00 C ATOM 0 H ALA A 60 3.546 -5.750 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 60 5.681 -7.005 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.206 -7.841 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.454 -7.886 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.142 -6.608 -7.742 1.00 0.00 H new ATOM 999 N LYS A 61 6.536 -4.345 -6.500 1.00 0.00 N ATOM 1000 CA LYS A 61 7.606 -3.384 -6.710 1.00 0.00 C ATOM 1001 C LYS A 61 8.003 -2.767 -5.367 1.00 0.00 C ATOM 1002 O LYS A 61 9.188 -2.618 -5.074 1.00 0.00 O ATOM 1003 CB LYS A 61 7.201 -2.353 -7.765 1.00 0.00 C ATOM 1004 CG LYS A 61 7.420 -2.899 -9.177 1.00 0.00 C ATOM 1005 CD LYS A 61 7.064 -1.849 -10.232 1.00 0.00 C ATOM 1006 CE LYS A 61 8.298 -1.442 -11.039 1.00 0.00 C ATOM 1007 NZ LYS A 61 8.348 0.028 -11.205 1.00 0.00 N ATOM 0 H LYS A 61 5.655 -4.109 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 61 8.491 -3.881 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.153 -2.085 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.782 -1.441 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.460 -3.202 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.810 -3.790 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.301 -2.246 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.637 -0.971 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.200 -1.788 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.275 -1.924 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.192 0.287 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.496 0.350 -11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.392 0.482 -10.270 1.00 0.00 H new ATOM 1021 N TYR A 62 6.989 -2.426 -4.586 1.00 0.00 N ATOM 1022 CA TYR A 62 7.216 -1.828 -3.281 1.00 0.00 C ATOM 1023 C TYR A 62 7.903 -2.817 -2.338 1.00 0.00 C ATOM 1024 O TYR A 62 8.792 -2.439 -1.576 1.00 0.00 O ATOM 1025 CB TYR A 62 5.832 -1.489 -2.726 1.00 0.00 C ATOM 1026 CG TYR A 62 5.311 -0.115 -3.150 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.208 0.201 -4.490 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.943 0.810 -2.194 1.00 0.00 C ATOM 1029 CE1 TYR A 62 4.717 1.494 -4.890 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.452 2.103 -2.594 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.363 2.381 -3.922 1.00 0.00 C ATOM 1032 OH TYR A 62 3.900 3.603 -4.300 1.00 0.00 O ATOM 0 H TYR A 62 6.007 -2.552 -4.832 1.00 0.00 H new ATOM 0 HA TYR A 62 7.858 -0.951 -3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.124 -2.251 -3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.868 -1.533 -1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.496 -0.522 -5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.023 0.564 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.632 1.753 -5.935 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.161 2.836 -1.856 1.00 0.00 H new ATOM 0 HH TYR A 62 3.447 3.528 -5.166 1.00 0.00 H new ATOM 1042 N ARG A 63 7.465 -4.065 -2.419 1.00 0.00 N ATOM 1043 CA ARG A 63 8.027 -5.112 -1.582 1.00 0.00 C ATOM 1044 C ARG A 63 9.554 -5.097 -1.668 1.00 0.00 C ATOM 1045 O ARG A 63 10.238 -5.267 -0.659 1.00 0.00 O ATOM 1046 CB ARG A 63 7.512 -6.490 -2.003 1.00 0.00 C ATOM 1047 CG ARG A 63 8.150 -7.595 -1.159 1.00 0.00 C ATOM 1048 CD ARG A 63 8.618 -8.756 -2.038 1.00 0.00 C ATOM 1049 NE ARG A 63 9.855 -9.346 -1.480 1.00 0.00 N ATOM 1050 CZ ARG A 63 9.885 -10.161 -0.417 1.00 0.00 C ATOM 1051 NH1 ARG A 63 8.746 -10.487 0.210 1.00 0.00 N ATOM 1052 NH2 ARG A 63 11.054 -10.650 0.020 1.00 0.00 N ATOM 0 H ARG A 63 6.727 -4.375 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 63 7.716 -4.919 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.428 -6.525 -1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.734 -6.659 -3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.996 -7.191 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.431 -7.957 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.838 -9.515 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.799 -8.404 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 63 10.740 -9.118 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.856 -10.115 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.769 -11.107 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.921 -10.402 -0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.077 -11.270 0.829 1.00 0.00 H new ATOM 1066 N GLU A 64 10.045 -4.894 -2.881 1.00 0.00 N ATOM 1067 CA GLU A 64 11.479 -4.856 -3.112 1.00 0.00 C ATOM 1068 C GLU A 64 12.086 -3.603 -2.476 1.00 0.00 C ATOM 1069 O GLU A 64 13.181 -3.654 -1.919 1.00 0.00 O ATOM 1070 CB GLU A 64 11.796 -4.920 -4.607 1.00 0.00 C ATOM 1071 CG GLU A 64 12.262 -6.320 -5.010 1.00 0.00 C ATOM 1072 CD GLU A 64 11.197 -7.033 -5.846 1.00 0.00 C ATOM 1073 OE1 GLU A 64 10.298 -7.639 -5.224 1.00 0.00 O ATOM 1074 OE2 GLU A 64 11.306 -6.955 -7.089 1.00 0.00 O ATOM 0 H GLU A 64 9.475 -4.754 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 64 11.926 -5.732 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.911 -4.648 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.570 -4.192 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.189 -6.249 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.481 -6.906 -4.117 1.00 0.00 H new ATOM 1081 N MET A 65 11.347 -2.508 -2.580 1.00 0.00 N ATOM 1082 CA MET A 65 11.798 -1.245 -2.022 1.00 0.00 C ATOM 1083 C MET A 65 11.826 -1.300 -0.493 1.00 0.00 C ATOM 1084 O MET A 65 12.722 -0.738 0.135 1.00 0.00 O ATOM 1085 CB MET A 65 10.862 -0.123 -2.476 1.00 0.00 C ATOM 1086 CG MET A 65 11.435 0.612 -3.689 1.00 0.00 C ATOM 1087 SD MET A 65 10.860 -0.155 -5.195 1.00 0.00 S ATOM 1088 CE MET A 65 9.184 0.459 -5.235 1.00 0.00 C ATOM 0 H MET A 65 10.439 -2.470 -3.043 1.00 0.00 H new ATOM 0 HA MET A 65 12.810 -1.052 -2.378 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.885 -0.538 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.709 0.581 -1.658 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.133 1.659 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.524 0.594 -3.655 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.579 -0.176 -5.883 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.769 0.449 -4.227 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.179 1.479 -5.619 1.00 0.00 H new ATOM 1098 N LEU A 66 10.835 -1.982 0.061 1.00 0.00 N ATOM 1099 CA LEU A 66 10.735 -2.117 1.504 1.00 0.00 C ATOM 1100 C LEU A 66 11.639 -3.260 1.969 1.00 0.00 C ATOM 1101 O LEU A 66 12.602 -3.037 2.700 1.00 0.00 O ATOM 1102 CB LEU A 66 9.273 -2.278 1.927 1.00 0.00 C ATOM 1103 CG LEU A 66 8.377 -1.055 1.723 1.00 0.00 C ATOM 1104 CD1 LEU A 66 9.180 0.241 1.850 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.631 -1.139 0.390 1.00 0.00 C ATOM 0 H LEU A 66 10.094 -2.447 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 66 11.088 -1.211 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.845 -3.114 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.249 -2.549 2.982 1.00 0.00 H new ATOM 0 HG LEU A 66 7.626 -1.046 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.519 1.095 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.626 0.297 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.968 0.256 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.001 -0.258 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.351 -1.185 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.009 -2.034 0.377 1.00 0.00 H new