USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 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 -125:sc= -6.75! (180deg=-12.1!) USER MOD Set 1.2: A 65 MET CE :methyl 158:sc= -0.314 (180deg=-0.0267) USER MOD Set 2.1: A 41 GLN : amide:sc= -6.34! C(o=-23!,f=-20!) USER MOD Set 2.2: A 45 ASN : amide:sc= -16.6! C(o=-23!,f=-20!) USER MOD Single : A 17 THR OG1 : rot -46:sc= 0.638 USER MOD Single : A 18 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0692 X(o=-0.069,f=-0.071) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 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+ 154:sc= 0 (180deg=-0.903) USER MOD Single : A 62 TYR OH : rot -120:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 2.137 11.252 -2.429 1.00 0.00 N ATOM 262 CA THR A 17 3.098 10.977 -3.484 1.00 0.00 C ATOM 263 C THR A 17 3.450 9.488 -3.511 1.00 0.00 C ATOM 264 O THR A 17 3.233 8.778 -2.530 1.00 0.00 O ATOM 265 CB THR A 17 4.311 11.884 -3.266 1.00 0.00 C ATOM 266 OG1 THR A 17 4.537 11.830 -1.860 1.00 0.00 O ATOM 267 CG2 THR A 17 3.998 13.357 -3.537 1.00 0.00 C ATOM 0 HA THR A 17 2.681 11.198 -4.466 1.00 0.00 H new ATOM 0 HB THR A 17 5.126 11.561 -3.914 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.686 11.946 -1.387 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.893 13.956 -3.367 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.672 13.476 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.206 13.690 -2.866 1.00 0.00 H new ATOM 275 N GLN A 18 3.985 9.060 -4.644 1.00 0.00 N ATOM 276 CA GLN A 18 4.369 7.669 -4.812 1.00 0.00 C ATOM 277 C GLN A 18 5.322 7.242 -3.694 1.00 0.00 C ATOM 278 O GLN A 18 5.313 6.086 -3.273 1.00 0.00 O ATOM 279 CB GLN A 18 4.997 7.435 -6.187 1.00 0.00 C ATOM 280 CG GLN A 18 3.951 7.564 -7.297 1.00 0.00 C ATOM 281 CD GLN A 18 4.538 8.266 -8.524 1.00 0.00 C ATOM 282 OE1 GLN A 18 5.688 8.672 -8.548 1.00 0.00 O ATOM 283 NE2 GLN A 18 3.685 8.386 -9.537 1.00 0.00 N ATOM 0 H GLN A 18 4.162 9.652 -5.455 1.00 0.00 H new ATOM 0 HA GLN A 18 3.470 7.055 -4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.798 8.155 -6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.448 6.443 -6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.589 6.575 -7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.092 8.125 -6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.736 8.023 -9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.980 8.841 -10.401 1.00 0.00 H new ATOM 292 N GLY A 19 6.121 8.198 -3.245 1.00 0.00 N ATOM 293 CA GLY A 19 7.079 7.936 -2.184 1.00 0.00 C ATOM 294 C GLY A 19 6.371 7.743 -0.841 1.00 0.00 C ATOM 295 O GLY A 19 6.787 6.920 -0.028 1.00 0.00 O ATOM 0 H GLY A 19 6.125 9.156 -3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.659 7.045 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.783 8.765 -2.112 1.00 0.00 H new ATOM 299 N GLU A 20 5.311 8.516 -0.651 1.00 0.00 N ATOM 300 CA GLU A 20 4.541 8.440 0.579 1.00 0.00 C ATOM 301 C GLU A 20 3.836 7.086 0.681 1.00 0.00 C ATOM 302 O GLU A 20 3.755 6.505 1.762 1.00 0.00 O ATOM 303 CB GLU A 20 3.536 9.590 0.667 1.00 0.00 C ATOM 304 CG GLU A 20 3.904 10.554 1.797 1.00 0.00 C ATOM 305 CD GLU A 20 3.773 9.876 3.162 1.00 0.00 C ATOM 306 OE1 GLU A 20 2.646 9.430 3.468 1.00 0.00 O ATOM 307 OE2 GLU A 20 4.803 9.817 3.868 1.00 0.00 O ATOM 0 H GLU A 20 4.968 9.197 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 20 5.226 8.534 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.509 10.128 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.536 9.191 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.926 10.908 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.256 11.429 1.758 1.00 0.00 H new ATOM 314 N LEU A 21 3.345 6.623 -0.459 1.00 0.00 N ATOM 315 CA LEU A 21 2.650 5.348 -0.511 1.00 0.00 C ATOM 316 C LEU A 21 3.595 4.237 -0.051 1.00 0.00 C ATOM 317 O LEU A 21 3.182 3.319 0.655 1.00 0.00 O ATOM 318 CB LEU A 21 2.060 5.116 -1.904 1.00 0.00 C ATOM 319 CG LEU A 21 0.710 4.397 -1.949 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.600 3.367 -0.823 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.446 5.398 -1.926 1.00 0.00 C ATOM 0 H LEU A 21 3.415 7.108 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 21 1.802 5.349 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.951 6.082 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.776 4.539 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 21 0.644 3.852 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.369 2.870 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.394 2.627 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.697 3.869 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.394 4.860 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.396 5.990 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.373 6.058 -2.790 1.00 0.00 H new ATOM 333 N MET A 22 4.847 4.358 -0.469 1.00 0.00 N ATOM 334 CA MET A 22 5.854 3.375 -0.108 1.00 0.00 C ATOM 335 C MET A 22 5.907 3.175 1.407 1.00 0.00 C ATOM 336 O MET A 22 5.720 2.063 1.897 1.00 0.00 O ATOM 337 CB MET A 22 7.223 3.840 -0.611 1.00 0.00 C ATOM 338 CG MET A 22 7.267 3.864 -2.140 1.00 0.00 C ATOM 339 SD MET A 22 8.897 3.414 -2.711 1.00 0.00 S ATOM 340 CE MET A 22 8.974 1.728 -2.130 1.00 0.00 C ATOM 0 H MET A 22 5.186 5.122 -1.054 1.00 0.00 H new ATOM 0 HA MET A 22 5.590 2.424 -0.571 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.438 4.835 -0.222 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.999 3.175 -0.232 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.527 3.173 -2.544 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.007 4.858 -2.504 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.860 1.597 -1.509 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.083 1.504 -1.543 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.026 1.051 -2.983 1.00 0.00 H new ATOM 350 N LYS A 23 6.164 4.270 2.108 1.00 0.00 N ATOM 351 CA LYS A 23 6.244 4.229 3.558 1.00 0.00 C ATOM 352 C LYS A 23 4.907 3.749 4.125 1.00 0.00 C ATOM 353 O LYS A 23 4.862 3.155 5.201 1.00 0.00 O ATOM 354 CB LYS A 23 6.695 5.583 4.109 1.00 0.00 C ATOM 355 CG LYS A 23 8.198 5.587 4.394 1.00 0.00 C ATOM 356 CD LYS A 23 8.517 6.409 5.645 1.00 0.00 C ATOM 357 CE LYS A 23 9.270 7.690 5.281 1.00 0.00 C ATOM 358 NZ LYS A 23 10.658 7.638 5.792 1.00 0.00 N ATOM 0 H LYS A 23 6.319 5.191 1.698 1.00 0.00 H new ATOM 0 HA LYS A 23 7.002 3.513 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.455 6.369 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.147 5.808 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.549 4.564 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.733 5.998 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.593 6.661 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.117 5.813 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.279 7.818 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.754 8.554 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.155 8.515 5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.643 7.537 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.152 6.825 5.372 1.00 0.00 H new ATOM 372 N LEU A 24 3.849 4.025 3.376 1.00 0.00 N ATOM 373 CA LEU A 24 2.514 3.629 3.790 1.00 0.00 C ATOM 374 C LEU A 24 2.415 2.102 3.785 1.00 0.00 C ATOM 375 O LEU A 24 1.846 1.510 4.701 1.00 0.00 O ATOM 376 CB LEU A 24 1.458 4.316 2.922 1.00 0.00 C ATOM 377 CG LEU A 24 0.882 5.621 3.475 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.399 6.531 2.343 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.223 5.343 4.497 1.00 0.00 C ATOM 0 H LEU A 24 3.890 4.518 2.484 1.00 0.00 H new ATOM 0 HA LEU A 24 2.318 3.958 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.896 4.520 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.636 3.618 2.763 1.00 0.00 H new ATOM 0 HG LEU A 24 1.678 6.151 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.006 7.452 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.235 6.769 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.377 6.021 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.615 6.287 4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.026 4.781 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.185 4.763 5.325 1.00 0.00 H new ATOM 391 N ILE A 25 2.979 1.508 2.744 1.00 0.00 N ATOM 392 CA ILE A 25 2.961 0.061 2.608 1.00 0.00 C ATOM 393 C ILE A 25 3.783 -0.563 3.738 1.00 0.00 C ATOM 394 O ILE A 25 3.352 -1.532 4.361 1.00 0.00 O ATOM 395 CB ILE A 25 3.425 -0.351 1.209 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.240 -0.463 0.249 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.244 -1.642 1.262 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.716 -0.531 -1.204 1.00 0.00 C ATOM 0 H ILE A 25 3.451 2.002 1.987 1.00 0.00 H new ATOM 0 HA ILE A 25 1.944 -0.319 2.706 1.00 0.00 H new ATOM 0 HB ILE A 25 4.079 0.430 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.658 -1.353 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.579 0.394 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.562 -1.913 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.121 -1.491 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.633 -2.443 1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.854 -0.610 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.277 0.372 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.357 -1.403 -1.337 1.00 0.00 H new ATOM 410 N LYS A 26 4.951 0.018 3.967 1.00 0.00 N ATOM 411 CA LYS A 26 5.837 -0.469 5.011 1.00 0.00 C ATOM 412 C LYS A 26 5.176 -0.256 6.375 1.00 0.00 C ATOM 413 O LYS A 26 5.407 -1.024 7.307 1.00 0.00 O ATOM 414 CB LYS A 26 7.217 0.179 4.888 1.00 0.00 C ATOM 415 CG LYS A 26 8.316 -0.780 5.349 1.00 0.00 C ATOM 416 CD LYS A 26 8.699 -0.516 6.807 1.00 0.00 C ATOM 417 CE LYS A 26 8.947 -1.828 7.554 1.00 0.00 C ATOM 418 NZ LYS A 26 10.333 -1.875 8.072 1.00 0.00 N ATOM 0 H LYS A 26 5.305 0.821 3.448 1.00 0.00 H new ATOM 0 HA LYS A 26 6.003 -1.541 4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.395 0.471 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.250 1.090 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.975 -1.809 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.193 -0.666 4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.595 0.103 6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.904 0.043 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.241 -1.923 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.773 -2.672 6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.485 -2.772 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.002 -1.806 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.487 -1.080 8.725 1.00 0.00 H new ATOM 432 N GLU A 27 4.368 0.792 6.448 1.00 0.00 N ATOM 433 CA GLU A 27 3.673 1.115 7.682 1.00 0.00 C ATOM 434 C GLU A 27 2.770 -0.046 8.103 1.00 0.00 C ATOM 435 O GLU A 27 2.662 -0.354 9.289 1.00 0.00 O ATOM 436 CB GLU A 27 2.869 2.409 7.535 1.00 0.00 C ATOM 437 CG GLU A 27 3.616 3.592 8.153 1.00 0.00 C ATOM 438 CD GLU A 27 3.005 3.983 9.500 1.00 0.00 C ATOM 439 OE1 GLU A 27 3.021 3.119 10.403 1.00 0.00 O ATOM 440 OE2 GLU A 27 2.536 5.138 9.597 1.00 0.00 O ATOM 0 H GLU A 27 4.180 1.428 5.673 1.00 0.00 H new ATOM 0 HA GLU A 27 4.416 1.273 8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.679 2.605 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.898 2.295 8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.666 3.333 8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.582 4.443 7.473 1.00 0.00 H new ATOM 447 N ILE A 28 2.146 -0.660 7.109 1.00 0.00 N ATOM 448 CA ILE A 28 1.257 -1.781 7.362 1.00 0.00 C ATOM 449 C ILE A 28 2.067 -2.955 7.913 1.00 0.00 C ATOM 450 O ILE A 28 1.598 -3.682 8.788 1.00 0.00 O ATOM 451 CB ILE A 28 0.456 -2.123 6.104 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.836 -1.306 6.037 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.188 -3.627 6.017 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.826 -0.360 4.835 1.00 0.00 C ATOM 0 H ILE A 28 2.238 -0.402 6.126 1.00 0.00 H new ATOM 0 HA ILE A 28 0.520 -1.519 8.121 1.00 0.00 H new ATOM 0 HB ILE A 28 1.054 -1.851 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.692 -1.978 5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.955 -0.731 6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.383 -3.843 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.136 -4.164 5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.380 -3.946 6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.756 0.208 4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.017 0.326 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.732 -0.940 3.917 1.00 0.00 H new ATOM 466 N VAL A 29 3.271 -3.104 7.380 1.00 0.00 N ATOM 467 CA VAL A 29 4.151 -4.178 7.808 1.00 0.00 C ATOM 468 C VAL A 29 4.829 -3.783 9.121 1.00 0.00 C ATOM 469 O VAL A 29 5.590 -4.564 9.691 1.00 0.00 O ATOM 470 CB VAL A 29 5.149 -4.511 6.697 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.604 -5.969 6.787 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.558 -4.205 5.319 1.00 0.00 C ATOM 0 H VAL A 29 3.658 -2.499 6.656 1.00 0.00 H new ATOM 0 HA VAL A 29 3.580 -5.087 7.997 1.00 0.00 H new ATOM 0 HB VAL A 29 6.026 -3.878 6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.313 -6.179 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.084 -6.142 7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.740 -6.626 6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.288 -4.451 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.657 -4.800 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.308 -3.146 5.258 1.00 0.00 H new ATOM 482 N GLU A 30 4.528 -2.571 9.564 1.00 0.00 N ATOM 483 CA GLU A 30 5.099 -2.063 10.800 1.00 0.00 C ATOM 484 C GLU A 30 4.489 -2.787 12.003 1.00 0.00 C ATOM 485 O GLU A 30 5.136 -2.928 13.039 1.00 0.00 O ATOM 486 CB GLU A 30 4.903 -0.550 10.913 1.00 0.00 C ATOM 487 CG GLU A 30 6.114 0.112 11.574 1.00 0.00 C ATOM 488 CD GLU A 30 5.687 1.311 12.424 1.00 0.00 C ATOM 489 OE1 GLU A 30 4.626 1.197 13.074 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.433 2.314 12.404 1.00 0.00 O ATOM 0 H GLU A 30 3.896 -1.926 9.089 1.00 0.00 H new ATOM 0 HA GLU A 30 6.172 -2.257 10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.748 -0.125 9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.006 -0.338 11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.634 -0.614 12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.819 0.437 10.808 1.00 0.00 H new ATOM 497 N ASN A 31 3.252 -3.225 11.824 1.00 0.00 N ATOM 498 CA ASN A 31 2.548 -3.930 12.882 1.00 0.00 C ATOM 499 C ASN A 31 1.829 -5.144 12.289 1.00 0.00 C ATOM 500 O ASN A 31 0.632 -5.328 12.506 1.00 0.00 O ATOM 501 CB ASN A 31 1.498 -3.032 13.538 1.00 0.00 C ATOM 502 CG ASN A 31 2.101 -1.685 13.939 1.00 0.00 C ATOM 503 OD1 ASN A 31 1.976 -0.689 13.244 1.00 0.00 O ATOM 504 ND2 ASN A 31 2.760 -1.708 15.093 1.00 0.00 N ATOM 0 H ASN A 31 2.719 -3.106 10.963 1.00 0.00 H new ATOM 0 HA ASN A 31 3.280 -4.234 13.630 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.669 -2.872 12.848 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.089 -3.528 14.418 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.199 -0.858 15.447 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.827 -2.576 15.625 1.00 0.00 H new ATOM 511 N GLU A 32 2.590 -5.941 11.553 1.00 0.00 N ATOM 512 CA GLU A 32 2.040 -7.132 10.928 1.00 0.00 C ATOM 513 C GLU A 32 1.533 -8.105 11.993 1.00 0.00 C ATOM 514 O GLU A 32 1.241 -7.703 13.118 1.00 0.00 O ATOM 515 CB GLU A 32 3.074 -7.801 10.020 1.00 0.00 C ATOM 516 CG GLU A 32 4.195 -8.439 10.844 1.00 0.00 C ATOM 517 CD GLU A 32 4.474 -9.869 10.375 1.00 0.00 C ATOM 518 OE1 GLU A 32 3.483 -10.590 10.131 1.00 0.00 O ATOM 519 OE2 GLU A 32 5.673 -10.208 10.271 1.00 0.00 O ATOM 0 H GLU A 32 3.582 -5.785 11.376 1.00 0.00 H new ATOM 0 HA GLU A 32 1.196 -6.835 10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.589 -8.562 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.495 -7.063 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.102 -7.840 10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.918 -8.446 11.898 1.00 0.00 H new ATOM 526 N ASP A 33 1.445 -9.368 11.602 1.00 0.00 N ATOM 527 CA ASP A 33 0.978 -10.402 12.509 1.00 0.00 C ATOM 528 C ASP A 33 1.482 -11.763 12.027 1.00 0.00 C ATOM 529 O ASP A 33 1.593 -11.998 10.824 1.00 0.00 O ATOM 530 CB ASP A 33 -0.551 -10.451 12.550 1.00 0.00 C ATOM 531 CG ASP A 33 -1.159 -10.515 13.952 1.00 0.00 C ATOM 532 OD1 ASP A 33 -0.722 -9.705 14.798 1.00 0.00 O ATOM 533 OD2 ASP A 33 -2.047 -11.373 14.146 1.00 0.00 O ATOM 0 H ASP A 33 1.689 -9.699 10.669 1.00 0.00 H new ATOM 0 HA ASP A 33 1.358 -10.173 13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.941 -9.570 12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.887 -11.320 11.985 1.00 0.00 H new ATOM 538 N LYS A 34 1.774 -12.626 12.989 1.00 0.00 N ATOM 539 CA LYS A 34 2.264 -13.958 12.678 1.00 0.00 C ATOM 540 C LYS A 34 1.340 -14.607 11.645 1.00 0.00 C ATOM 541 O LYS A 34 1.680 -14.686 10.466 1.00 0.00 O ATOM 542 CB LYS A 34 2.431 -14.780 13.957 1.00 0.00 C ATOM 543 CG LYS A 34 1.282 -14.516 14.933 1.00 0.00 C ATOM 544 CD LYS A 34 1.797 -13.882 16.227 1.00 0.00 C ATOM 545 CE LYS A 34 1.003 -14.381 17.435 1.00 0.00 C ATOM 546 NZ LYS A 34 1.248 -13.514 18.610 1.00 0.00 N ATOM 0 H LYS A 34 1.680 -12.428 13.985 1.00 0.00 H new ATOM 0 HA LYS A 34 3.256 -13.905 12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.466 -15.841 13.710 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.380 -14.532 14.432 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.549 -13.857 14.468 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.771 -15.452 15.160 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.853 -14.120 16.358 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.721 -12.797 16.160 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.061 -14.392 17.199 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.289 -15.407 17.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.702 -13.867 19.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.261 -13.525 18.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.954 -12.541 18.391 1.00 0.00 H new ATOM 560 N ARG A 35 0.190 -15.056 12.126 1.00 0.00 N ATOM 561 CA ARG A 35 -0.785 -15.696 11.260 1.00 0.00 C ATOM 562 C ARG A 35 -1.396 -14.672 10.301 1.00 0.00 C ATOM 563 O ARG A 35 -2.147 -15.034 9.396 1.00 0.00 O ATOM 564 CB ARG A 35 -1.901 -16.351 12.076 1.00 0.00 C ATOM 565 CG ARG A 35 -1.905 -17.868 11.881 1.00 0.00 C ATOM 566 CD ARG A 35 -2.849 -18.273 10.747 1.00 0.00 C ATOM 567 NE ARG A 35 -4.063 -18.913 11.303 1.00 0.00 N ATOM 568 CZ ARG A 35 -4.074 -20.113 11.897 1.00 0.00 C ATOM 569 NH1 ARG A 35 -2.937 -20.813 12.016 1.00 0.00 N ATOM 570 NH2 ARG A 35 -5.222 -20.615 12.372 1.00 0.00 N ATOM 0 H ARG A 35 -0.088 -14.989 13.105 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.267 -16.468 10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.769 -16.117 13.132 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.865 -15.940 11.776 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.895 -18.212 11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.212 -18.356 12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.126 -17.396 10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.343 -18.961 10.070 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.946 -18.408 11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.063 -20.432 11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.946 -21.727 12.469 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.088 -20.083 12.281 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.230 -21.529 12.824 1.00 0.00 H new ATOM 584 N LYS A 36 -1.053 -13.414 10.533 1.00 0.00 N ATOM 585 CA LYS A 36 -1.559 -12.335 9.701 1.00 0.00 C ATOM 586 C LYS A 36 -0.397 -11.430 9.285 1.00 0.00 C ATOM 587 O LYS A 36 -0.192 -10.368 9.870 1.00 0.00 O ATOM 588 CB LYS A 36 -2.690 -11.593 10.416 1.00 0.00 C ATOM 589 CG LYS A 36 -4.024 -11.804 9.697 1.00 0.00 C ATOM 590 CD LYS A 36 -4.895 -10.549 9.776 1.00 0.00 C ATOM 591 CE LYS A 36 -6.170 -10.712 8.946 1.00 0.00 C ATOM 592 NZ LYS A 36 -7.026 -9.511 9.069 1.00 0.00 N ATOM 0 H LYS A 36 -0.431 -13.117 11.285 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.998 -12.733 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.767 -11.945 11.445 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.461 -10.528 10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.842 -12.059 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.552 -12.646 10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.157 -10.349 10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.331 -9.688 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.911 -10.876 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.719 -11.593 9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.887 -9.638 8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.288 -9.372 10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.506 -8.677 8.728 1.00 0.00 H new ATOM 606 N PRO A 37 0.351 -11.896 8.250 1.00 0.00 N ATOM 607 CA PRO A 37 1.487 -11.141 7.748 1.00 0.00 C ATOM 608 C PRO A 37 1.025 -9.942 6.918 1.00 0.00 C ATOM 609 O PRO A 37 -0.120 -9.507 7.034 1.00 0.00 O ATOM 610 CB PRO A 37 2.300 -12.142 6.943 1.00 0.00 C ATOM 611 CG PRO A 37 1.358 -13.295 6.637 1.00 0.00 C ATOM 612 CD PRO A 37 0.138 -13.150 7.532 1.00 0.00 C ATOM 0 HA PRO A 37 2.090 -10.708 8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.676 -11.691 6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.167 -12.485 7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.065 -13.280 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.852 -14.250 6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.781 -13.120 6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.050 -13.990 8.221 1.00 0.00 H new ATOM 620 N TYR A 38 1.938 -9.441 6.100 1.00 0.00 N ATOM 621 CA TYR A 38 1.639 -8.301 5.251 1.00 0.00 C ATOM 622 C TYR A 38 2.515 -8.305 3.997 1.00 0.00 C ATOM 623 O TYR A 38 3.185 -7.317 3.700 1.00 0.00 O ATOM 624 CB TYR A 38 1.965 -7.059 6.083 1.00 0.00 C ATOM 625 CG TYR A 38 0.783 -6.524 6.893 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.482 -6.512 6.342 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.982 -6.053 8.175 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.595 -6.008 7.104 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.131 -5.549 8.938 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.365 -5.551 8.365 1.00 0.00 C ATOM 631 OH TYR A 38 -2.416 -5.076 9.085 1.00 0.00 O ATOM 0 H TYR A 38 2.887 -9.804 6.007 1.00 0.00 H new ATOM 0 HA TYR A 38 0.598 -8.326 4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.782 -7.295 6.765 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.322 -6.273 5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.637 -6.881 5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.972 -6.062 8.606 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.590 -5.993 6.684 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.011 -5.178 9.942 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.103 -4.785 9.967 1.00 0.00 H new ATOM 641 N SER A 39 2.482 -9.428 3.295 1.00 0.00 N ATOM 642 CA SER A 39 3.265 -9.574 2.079 1.00 0.00 C ATOM 643 C SER A 39 2.611 -8.791 0.939 1.00 0.00 C ATOM 644 O SER A 39 1.553 -8.191 1.119 1.00 0.00 O ATOM 645 CB SER A 39 3.414 -11.047 1.694 1.00 0.00 C ATOM 646 OG SER A 39 3.739 -11.862 2.817 1.00 0.00 O ATOM 0 H SER A 39 1.925 -10.246 3.545 1.00 0.00 H new ATOM 0 HA SER A 39 4.261 -9.172 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.485 -11.400 1.246 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.191 -11.147 0.936 1.00 0.00 H new ATOM 0 HG SER A 39 3.824 -12.795 2.530 1.00 0.00 H new ATOM 652 N ASP A 40 3.270 -8.821 -0.210 1.00 0.00 N ATOM 653 CA ASP A 40 2.767 -8.121 -1.380 1.00 0.00 C ATOM 654 C ASP A 40 1.275 -8.419 -1.544 1.00 0.00 C ATOM 655 O ASP A 40 0.516 -7.569 -2.009 1.00 0.00 O ATOM 656 CB ASP A 40 3.483 -8.585 -2.650 1.00 0.00 C ATOM 657 CG ASP A 40 3.879 -10.063 -2.666 1.00 0.00 C ATOM 658 OD1 ASP A 40 2.957 -10.898 -2.552 1.00 0.00 O ATOM 659 OD2 ASP A 40 5.095 -10.323 -2.793 1.00 0.00 O ATOM 0 H ASP A 40 4.148 -9.319 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 40 2.942 -7.055 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.837 -8.388 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.381 -7.982 -2.783 1.00 0.00 H new ATOM 664 N GLN A 41 0.898 -9.628 -1.153 1.00 0.00 N ATOM 665 CA GLN A 41 -0.489 -10.047 -1.251 1.00 0.00 C ATOM 666 C GLN A 41 -1.365 -9.208 -0.319 1.00 0.00 C ATOM 667 O GLN A 41 -2.110 -8.342 -0.774 1.00 0.00 O ATOM 668 CB GLN A 41 -0.633 -11.539 -0.943 1.00 0.00 C ATOM 669 CG GLN A 41 -2.068 -11.878 -0.532 1.00 0.00 C ATOM 670 CD GLN A 41 -3.001 -11.877 -1.744 1.00 0.00 C ATOM 671 OE1 GLN A 41 -2.586 -12.048 -2.879 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.280 -11.676 -1.442 1.00 0.00 N ATOM 0 H GLN A 41 1.530 -10.330 -0.768 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.825 -9.886 -2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.354 -12.124 -1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.053 -11.817 -0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.091 -12.856 -0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.420 -11.154 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.559 -11.540 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.982 -11.658 -2.182 1.00 0.00 H new ATOM 681 N GLU A 42 -1.245 -9.494 0.970 1.00 0.00 N ATOM 682 CA GLU A 42 -2.017 -8.776 1.970 1.00 0.00 C ATOM 683 C GLU A 42 -2.062 -7.284 1.635 1.00 0.00 C ATOM 684 O GLU A 42 -3.124 -6.746 1.324 1.00 0.00 O ATOM 685 CB GLU A 42 -1.447 -9.006 3.371 1.00 0.00 C ATOM 686 CG GLU A 42 -2.564 -9.056 4.416 1.00 0.00 C ATOM 687 CD GLU A 42 -3.659 -10.041 4.002 1.00 0.00 C ATOM 688 OE1 GLU A 42 -3.458 -11.249 4.250 1.00 0.00 O ATOM 689 OE2 GLU A 42 -4.672 -9.563 3.446 1.00 0.00 O ATOM 0 H GLU A 42 -0.625 -10.213 1.344 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.036 -9.162 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.884 -9.939 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.748 -8.207 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.151 -9.350 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.993 -8.062 4.543 1.00 0.00 H new ATOM 696 N ILE A 43 -0.897 -6.657 1.710 1.00 0.00 N ATOM 697 CA ILE A 43 -0.791 -5.238 1.418 1.00 0.00 C ATOM 698 C ILE A 43 -1.602 -4.917 0.161 1.00 0.00 C ATOM 699 O ILE A 43 -2.401 -3.982 0.156 1.00 0.00 O ATOM 700 CB ILE A 43 0.678 -4.819 1.326 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.174 -4.261 2.662 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.895 -3.832 0.177 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.623 -4.676 2.925 1.00 0.00 C ATOM 0 H ILE A 43 -0.018 -7.106 1.969 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.217 -4.649 2.230 1.00 0.00 H new ATOM 0 HB ILE A 43 1.273 -5.705 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.099 -3.174 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.537 -4.621 3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.947 -3.550 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.605 -4.300 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.287 -2.942 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.951 -4.267 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.690 -5.764 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.261 -4.294 2.128 1.00 0.00 H new ATOM 715 N ALA A 44 -1.368 -5.711 -0.873 1.00 0.00 N ATOM 716 CA ALA A 44 -2.068 -5.524 -2.133 1.00 0.00 C ATOM 717 C ALA A 44 -3.575 -5.629 -1.895 1.00 0.00 C ATOM 718 O ALA A 44 -4.348 -4.834 -2.428 1.00 0.00 O ATOM 719 CB ALA A 44 -1.565 -6.547 -3.153 1.00 0.00 C ATOM 0 H ALA A 44 -0.704 -6.485 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.868 -4.533 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.090 -6.407 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.495 -6.410 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.751 -7.554 -2.780 1.00 0.00 H new ATOM 725 N ASN A 45 -3.948 -6.617 -1.095 1.00 0.00 N ATOM 726 CA ASN A 45 -5.350 -6.836 -0.781 1.00 0.00 C ATOM 727 C ASN A 45 -5.898 -5.616 -0.039 1.00 0.00 C ATOM 728 O ASN A 45 -7.035 -5.206 -0.267 1.00 0.00 O ATOM 729 CB ASN A 45 -5.526 -8.058 0.123 1.00 0.00 C ATOM 730 CG ASN A 45 -4.613 -9.203 -0.318 1.00 0.00 C ATOM 731 OD1 ASN A 45 -4.272 -10.090 0.447 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.237 -9.136 -1.592 1.00 0.00 N ATOM 0 H ASN A 45 -3.304 -7.275 -0.655 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.885 -6.999 -1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.302 -7.787 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.565 -8.387 0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.627 -9.855 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.558 -8.366 -2.179 1.00 0.00 H new ATOM 739 N ILE A 46 -5.065 -5.070 0.835 1.00 0.00 N ATOM 740 CA ILE A 46 -5.452 -3.905 1.612 1.00 0.00 C ATOM 741 C ILE A 46 -5.995 -2.828 0.671 1.00 0.00 C ATOM 742 O ILE A 46 -7.024 -2.215 0.952 1.00 0.00 O ATOM 743 CB ILE A 46 -4.288 -3.431 2.483 1.00 0.00 C ATOM 744 CG1 ILE A 46 -3.923 -4.483 3.532 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.594 -2.072 3.116 1.00 0.00 C ATOM 746 CD1 ILE A 46 -2.810 -3.978 4.452 1.00 0.00 C ATOM 0 H ILE A 46 -4.123 -5.413 1.022 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.255 -4.158 2.305 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.415 -3.299 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.804 -4.732 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.602 -5.399 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.750 -1.758 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.765 -1.335 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.485 -2.153 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.570 -4.745 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.923 -3.753 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.143 -3.075 4.964 1.00 0.00 H new ATOM 758 N LEU A 47 -5.280 -2.630 -0.426 1.00 0.00 N ATOM 759 CA LEU A 47 -5.677 -1.637 -1.410 1.00 0.00 C ATOM 760 C LEU A 47 -7.143 -1.857 -1.787 1.00 0.00 C ATOM 761 O LEU A 47 -7.877 -0.899 -2.026 1.00 0.00 O ATOM 762 CB LEU A 47 -4.724 -1.658 -2.607 1.00 0.00 C ATOM 763 CG LEU A 47 -5.142 -2.546 -3.781 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.974 -1.757 -4.795 1.00 0.00 C ATOM 765 CD2 LEU A 47 -3.925 -3.208 -4.429 1.00 0.00 C ATOM 0 H LEU A 47 -4.427 -3.141 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.603 -0.634 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.608 -0.638 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.744 -1.986 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.775 -3.345 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.258 -2.411 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.872 -1.374 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.385 -0.924 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.251 -3.833 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.246 -2.439 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.410 -3.824 -3.692 1.00 0.00 H new ATOM 777 N LYS A 48 -7.527 -3.125 -1.828 1.00 0.00 N ATOM 778 CA LYS A 48 -8.892 -3.483 -2.172 1.00 0.00 C ATOM 779 C LYS A 48 -9.855 -2.788 -1.207 1.00 0.00 C ATOM 780 O LYS A 48 -11.045 -2.664 -1.494 1.00 0.00 O ATOM 781 CB LYS A 48 -9.054 -5.004 -2.212 1.00 0.00 C ATOM 782 CG LYS A 48 -10.214 -5.408 -3.124 1.00 0.00 C ATOM 783 CD LYS A 48 -10.337 -6.930 -3.212 1.00 0.00 C ATOM 784 CE LYS A 48 -11.345 -7.337 -4.289 1.00 0.00 C ATOM 785 NZ LYS A 48 -11.847 -8.707 -4.038 1.00 0.00 N ATOM 0 H LYS A 48 -6.916 -3.917 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.136 -3.133 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.131 -5.462 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.230 -5.381 -1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.144 -4.986 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.059 -4.994 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.363 -7.365 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.649 -7.330 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.178 -6.634 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.875 -7.290 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.530 -8.967 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.051 -9.376 -4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.313 -8.741 -3.109 1.00 0.00 H new ATOM 799 N GLU A 49 -9.305 -2.352 -0.083 1.00 0.00 N ATOM 800 CA GLU A 49 -10.100 -1.673 0.925 1.00 0.00 C ATOM 801 C GLU A 49 -10.642 -0.352 0.374 1.00 0.00 C ATOM 802 O GLU A 49 -11.352 0.371 1.070 1.00 0.00 O ATOM 803 CB GLU A 49 -9.287 -1.442 2.201 1.00 0.00 C ATOM 804 CG GLU A 49 -8.881 -2.771 2.840 1.00 0.00 C ATOM 805 CD GLU A 49 -9.483 -2.914 4.239 1.00 0.00 C ATOM 806 OE1 GLU A 49 -10.576 -2.343 4.447 1.00 0.00 O ATOM 807 OE2 GLU A 49 -8.837 -3.590 5.069 1.00 0.00 O ATOM 0 H GLU A 49 -8.318 -2.456 0.151 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.946 -2.311 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.396 -0.859 1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.874 -0.858 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.213 -3.597 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.794 -2.833 2.900 1.00 0.00 H new ATOM 885 N VAL A 54 -2.981 0.977 -5.366 1.00 0.00 N ATOM 886 CA VAL A 54 -1.875 0.046 -5.515 1.00 0.00 C ATOM 887 C VAL A 54 -2.322 -1.133 -6.382 1.00 0.00 C ATOM 888 O VAL A 54 -3.374 -1.079 -7.017 1.00 0.00 O ATOM 889 CB VAL A 54 -1.364 -0.384 -4.139 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.163 -0.490 -4.130 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.853 0.571 -3.049 1.00 0.00 C ATOM 0 HA VAL A 54 -1.037 0.525 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.770 -1.373 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.501 -0.797 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.481 -1.228 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.596 0.479 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.475 0.242 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.490 1.577 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.943 0.575 -3.031 1.00 0.00 H new ATOM 901 N ALA A 55 -1.499 -2.172 -6.381 1.00 0.00 N ATOM 902 CA ALA A 55 -1.796 -3.362 -7.160 1.00 0.00 C ATOM 903 C ALA A 55 -0.610 -4.326 -7.082 1.00 0.00 C ATOM 904 O ALA A 55 0.537 -3.897 -6.972 1.00 0.00 O ATOM 905 CB ALA A 55 -2.128 -2.962 -8.599 1.00 0.00 C ATOM 0 H ALA A 55 -0.627 -2.214 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.668 -3.877 -6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.351 -3.855 -9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.995 -2.301 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.275 -2.444 -9.039 1.00 0.00 H new ATOM 911 N ARG A 56 -0.928 -5.611 -7.143 1.00 0.00 N ATOM 912 CA ARG A 56 0.097 -6.639 -7.080 1.00 0.00 C ATOM 913 C ARG A 56 1.392 -6.138 -7.724 1.00 0.00 C ATOM 914 O ARG A 56 2.471 -6.285 -7.152 1.00 0.00 O ATOM 915 CB ARG A 56 -0.358 -7.914 -7.792 1.00 0.00 C ATOM 916 CG ARG A 56 -1.594 -8.510 -7.114 1.00 0.00 C ATOM 917 CD ARG A 56 -1.947 -9.871 -7.716 1.00 0.00 C ATOM 918 NE ARG A 56 -1.452 -10.956 -6.839 1.00 0.00 N ATOM 919 CZ ARG A 56 -1.583 -12.261 -7.112 1.00 0.00 C ATOM 920 NH1 ARG A 56 -2.192 -12.652 -8.240 1.00 0.00 N ATOM 921 NH2 ARG A 56 -1.103 -13.176 -6.258 1.00 0.00 N ATOM 0 H ARG A 56 -1.881 -5.963 -7.235 1.00 0.00 H new ATOM 0 HA ARG A 56 0.274 -6.867 -6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.583 -7.692 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.451 -8.645 -7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.410 -8.618 -6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.438 -7.829 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.027 -9.955 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.506 -9.964 -8.708 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.982 -10.694 -5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.556 -11.956 -8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.292 -13.646 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.638 -12.879 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.203 -14.170 -6.466 1.00 0.00 H new ATOM 935 N ARG A 57 1.241 -5.557 -8.905 1.00 0.00 N ATOM 936 CA ARG A 57 2.384 -5.033 -9.633 1.00 0.00 C ATOM 937 C ARG A 57 3.073 -3.935 -8.820 1.00 0.00 C ATOM 938 O ARG A 57 4.274 -4.006 -8.567 1.00 0.00 O ATOM 939 CB ARG A 57 1.961 -4.465 -10.989 1.00 0.00 C ATOM 940 CG ARG A 57 3.180 -4.036 -11.808 1.00 0.00 C ATOM 941 CD ARG A 57 4.090 -5.229 -12.104 1.00 0.00 C ATOM 942 NE ARG A 57 4.227 -5.412 -13.566 1.00 0.00 N ATOM 943 CZ ARG A 57 3.369 -6.114 -14.319 1.00 0.00 C ATOM 944 NH1 ARG A 57 2.308 -6.705 -13.752 1.00 0.00 N ATOM 945 NH2 ARG A 57 3.572 -6.226 -15.639 1.00 0.00 N ATOM 0 H ARG A 57 0.344 -5.438 -9.376 1.00 0.00 H new ATOM 0 HA ARG A 57 3.078 -5.857 -9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.394 -5.215 -11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.300 -3.611 -10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.853 -3.583 -12.744 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.738 -3.275 -11.264 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.071 -5.069 -11.656 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.678 -6.132 -11.653 1.00 0.00 H new ATOM 0 HE ARG A 57 5.024 -4.977 -14.030 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.154 -6.620 -12.747 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.655 -7.239 -14.325 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.380 -5.777 -16.071 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.919 -6.760 -16.212 1.00 0.00 H new ATOM 959 N THR A 58 2.282 -2.944 -8.435 1.00 0.00 N ATOM 960 CA THR A 58 2.801 -1.832 -7.656 1.00 0.00 C ATOM 961 C THR A 58 3.378 -2.333 -6.331 1.00 0.00 C ATOM 962 O THR A 58 4.448 -1.895 -5.911 1.00 0.00 O ATOM 963 CB THR A 58 1.674 -0.811 -7.482 1.00 0.00 C ATOM 964 OG1 THR A 58 1.746 -0.011 -8.659 1.00 0.00 O ATOM 965 CG2 THR A 58 1.948 0.174 -6.344 1.00 0.00 C ATOM 0 H THR A 58 1.286 -2.888 -8.648 1.00 0.00 H new ATOM 0 HA THR A 58 3.628 -1.341 -8.169 1.00 0.00 H new ATOM 0 HB THR A 58 0.736 -1.333 -7.292 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.048 0.677 -8.630 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.118 0.876 -6.263 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.053 -0.373 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.868 0.721 -6.550 1.00 0.00 H new ATOM 973 N VAL A 59 2.643 -3.243 -5.709 1.00 0.00 N ATOM 974 CA VAL A 59 3.069 -3.808 -4.439 1.00 0.00 C ATOM 975 C VAL A 59 4.389 -4.556 -4.636 1.00 0.00 C ATOM 976 O VAL A 59 5.285 -4.473 -3.797 1.00 0.00 O ATOM 977 CB VAL A 59 1.961 -4.691 -3.862 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.156 -4.902 -2.359 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.580 -4.103 -4.159 1.00 0.00 C ATOM 0 H VAL A 59 1.756 -3.603 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 59 3.249 -3.018 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 59 2.021 -5.665 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.355 -5.533 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.117 -5.385 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.135 -3.938 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.189 -4.750 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.503 -3.111 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.441 -4.028 -5.237 1.00 0.00 H new ATOM 989 N ALA A 60 4.467 -5.270 -5.749 1.00 0.00 N ATOM 990 CA ALA A 60 5.663 -6.033 -6.066 1.00 0.00 C ATOM 991 C ALA A 60 6.860 -5.084 -6.151 1.00 0.00 C ATOM 992 O ALA A 60 7.941 -5.396 -5.654 1.00 0.00 O ATOM 993 CB ALA A 60 5.443 -6.811 -7.365 1.00 0.00 C ATOM 0 H ALA A 60 3.722 -5.337 -6.443 1.00 0.00 H new ATOM 0 HA ALA A 60 5.873 -6.760 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.340 -7.383 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.600 -7.491 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.232 -6.113 -8.176 1.00 0.00 H new ATOM 999 N LYS A 61 6.627 -3.944 -6.785 1.00 0.00 N ATOM 1000 CA LYS A 61 7.673 -2.948 -6.941 1.00 0.00 C ATOM 1001 C LYS A 61 8.100 -2.441 -5.562 1.00 0.00 C ATOM 1002 O LYS A 61 9.291 -2.316 -5.284 1.00 0.00 O ATOM 1003 CB LYS A 61 7.218 -1.837 -7.890 1.00 0.00 C ATOM 1004 CG LYS A 61 7.923 -1.949 -9.244 1.00 0.00 C ATOM 1005 CD LYS A 61 7.158 -2.883 -10.184 1.00 0.00 C ATOM 1006 CE LYS A 61 8.063 -4.004 -10.699 1.00 0.00 C ATOM 1007 NZ LYS A 61 8.355 -4.972 -9.619 1.00 0.00 N ATOM 0 H LYS A 61 5.729 -3.688 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 61 8.554 -3.392 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.139 -1.895 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.430 -0.865 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.008 -0.961 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.937 -2.322 -9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.304 -3.312 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.763 -2.314 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.581 -4.515 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.994 -3.582 -11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.568 -5.901 -10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.174 -4.642 -9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.528 -5.054 -8.993 1.00 0.00 H new ATOM 1021 N TYR A 62 7.102 -2.164 -4.735 1.00 0.00 N ATOM 1022 CA TYR A 62 7.359 -1.674 -3.391 1.00 0.00 C ATOM 1023 C TYR A 62 8.030 -2.749 -2.534 1.00 0.00 C ATOM 1024 O TYR A 62 8.938 -2.453 -1.759 1.00 0.00 O ATOM 1025 CB TYR A 62 5.990 -1.344 -2.794 1.00 0.00 C ATOM 1026 CG TYR A 62 5.434 0.015 -3.226 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.438 0.370 -4.559 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.927 0.885 -2.282 1.00 0.00 C ATOM 1029 CE1 TYR A 62 4.915 1.648 -4.966 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.403 2.163 -2.688 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.423 2.482 -4.010 1.00 0.00 C ATOM 1032 OH TYR A 62 3.928 3.689 -4.394 1.00 0.00 O ATOM 0 H TYR A 62 6.115 -2.269 -4.969 1.00 0.00 H new ATOM 0 HA TYR A 62 8.023 -0.810 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.283 -2.122 -3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.064 -1.366 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.834 -0.311 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.923 0.607 -1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.913 1.938 -6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.003 2.853 -1.959 1.00 0.00 H new ATOM 0 HH TYR A 62 4.438 4.405 -3.961 1.00 0.00 H new ATOM 1042 N ARG A 63 7.558 -3.975 -2.703 1.00 0.00 N ATOM 1043 CA ARG A 63 8.101 -5.096 -1.955 1.00 0.00 C ATOM 1044 C ARG A 63 9.616 -5.182 -2.153 1.00 0.00 C ATOM 1045 O ARG A 63 10.356 -5.436 -1.204 1.00 0.00 O ATOM 1046 CB ARG A 63 7.460 -6.414 -2.395 1.00 0.00 C ATOM 1047 CG ARG A 63 7.775 -7.535 -1.402 1.00 0.00 C ATOM 1048 CD ARG A 63 8.788 -8.520 -1.990 1.00 0.00 C ATOM 1049 NE ARG A 63 8.467 -9.897 -1.553 1.00 0.00 N ATOM 1050 CZ ARG A 63 9.051 -10.997 -2.046 1.00 0.00 C ATOM 1051 NH1 ARG A 63 9.989 -10.888 -2.997 1.00 0.00 N ATOM 1052 NH2 ARG A 63 8.697 -12.206 -1.589 1.00 0.00 N ATOM 0 H ARG A 63 6.805 -4.217 -3.347 1.00 0.00 H new ATOM 0 HA ARG A 63 7.878 -4.931 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.380 -6.288 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.825 -6.687 -3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.170 -7.109 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.858 -8.063 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.774 -8.462 -3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.795 -8.253 -1.670 1.00 0.00 H new ATOM 0 HE ARG A 63 7.756 -10.016 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.258 -9.968 -3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.434 -11.725 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.983 -12.289 -0.866 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.142 -13.044 -1.965 1.00 0.00 H new ATOM 1066 N GLU A 64 10.032 -4.966 -3.392 1.00 0.00 N ATOM 1067 CA GLU A 64 11.445 -5.016 -3.727 1.00 0.00 C ATOM 1068 C GLU A 64 12.180 -3.826 -3.106 1.00 0.00 C ATOM 1069 O GLU A 64 13.306 -3.967 -2.630 1.00 0.00 O ATOM 1070 CB GLU A 64 11.649 -5.056 -5.242 1.00 0.00 C ATOM 1071 CG GLU A 64 12.121 -6.438 -5.696 1.00 0.00 C ATOM 1072 CD GLU A 64 11.542 -6.792 -7.068 1.00 0.00 C ATOM 1073 OE1 GLU A 64 10.319 -6.596 -7.235 1.00 0.00 O ATOM 1074 OE2 GLU A 64 12.336 -7.251 -7.917 1.00 0.00 O ATOM 0 H GLU A 64 9.415 -4.756 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 64 11.864 -5.933 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.715 -4.803 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.382 -4.304 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.210 -6.458 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.818 -7.188 -4.965 1.00 0.00 H new ATOM 1081 N MET A 65 11.513 -2.682 -3.130 1.00 0.00 N ATOM 1082 CA MET A 65 12.089 -1.468 -2.575 1.00 0.00 C ATOM 1083 C MET A 65 12.221 -1.570 -1.054 1.00 0.00 C ATOM 1084 O MET A 65 13.195 -1.088 -0.478 1.00 0.00 O ATOM 1085 CB MET A 65 11.204 -0.273 -2.933 1.00 0.00 C ATOM 1086 CG MET A 65 11.312 0.064 -4.421 1.00 0.00 C ATOM 1087 SD MET A 65 10.717 1.720 -4.717 1.00 0.00 S ATOM 1088 CE MET A 65 9.222 1.356 -5.621 1.00 0.00 C ATOM 0 H MET A 65 10.579 -2.569 -3.525 1.00 0.00 H new ATOM 0 HA MET A 65 13.084 -1.333 -2.999 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.167 -0.496 -2.681 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.497 0.592 -2.338 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.348 -0.023 -4.748 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.733 -0.650 -5.007 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.539 2.202 -5.550 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.465 1.173 -6.668 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.748 0.470 -5.198 1.00 0.00 H new ATOM 1098 N LEU A 66 11.226 -2.199 -0.447 1.00 0.00 N ATOM 1099 CA LEU A 66 11.218 -2.370 0.996 1.00 0.00 C ATOM 1100 C LEU A 66 12.066 -3.589 1.366 1.00 0.00 C ATOM 1101 O LEU A 66 13.158 -3.446 1.913 1.00 0.00 O ATOM 1102 CB LEU A 66 9.782 -2.438 1.520 1.00 0.00 C ATOM 1103 CG LEU A 66 8.836 -1.341 1.028 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.380 -1.809 1.079 1.00 0.00 C ATOM 1105 CD2 LEU A 66 9.048 -0.043 1.810 1.00 0.00 C ATOM 0 H LEU A 66 10.419 -2.597 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 66 11.670 -1.507 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.361 -3.404 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.812 -2.403 2.609 1.00 0.00 H new ATOM 0 HG LEU A 66 9.070 -1.131 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.729 -1.010 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.257 -2.687 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.115 -2.064 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.363 0.720 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.857 -0.220 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.075 0.297 1.679 1.00 0.00 H new