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 41 GLN : amide:sc= -7.4! C(o=-12!,f=-9.3!) USER MOD Set 1.2: A 45 ASN : amide:sc= -4.25! K(o=-12!,f=-8.4) USER MOD Single : A 17 THR OG1 : rot -55:sc= 0.5 USER MOD Single : A 18 GLN : amide:sc= 0.0645 K(o=0.064,f=-1.5!) USER MOD Single : A 22 MET CE :methyl -130:sc= -12.7! (180deg=-16.6!) 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= -0.823 K(o=-0.82,f=-2.2) 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= 0.108 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+ 164:sc=-0.00239 (180deg=-0.0523) USER MOD Single : A 62 TYR OH : rot -115:sc= 0.281 USER MOD Single : A 65 MET CE :methyl 144:sc= -0.131 (180deg=-0.621) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 1.510 10.314 -2.817 1.00 0.00 N ATOM 262 CA THR A 17 2.499 10.260 -3.880 1.00 0.00 C ATOM 263 C THR A 17 3.220 8.910 -3.869 1.00 0.00 C ATOM 264 O THR A 17 3.297 8.252 -2.833 1.00 0.00 O ATOM 265 CB THR A 17 3.440 11.453 -3.711 1.00 0.00 C ATOM 266 OG1 THR A 17 3.605 11.569 -2.300 1.00 0.00 O ATOM 267 CG2 THR A 17 2.788 12.776 -4.120 1.00 0.00 C ATOM 0 HA THR A 17 2.030 10.335 -4.861 1.00 0.00 H new ATOM 0 HB THR A 17 4.339 11.292 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.727 11.653 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.499 13.590 -3.980 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.493 12.727 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.907 12.954 -3.503 1.00 0.00 H new ATOM 275 N GLN A 18 3.730 8.539 -5.034 1.00 0.00 N ATOM 276 CA GLN A 18 4.442 7.280 -5.171 1.00 0.00 C ATOM 277 C GLN A 18 5.358 7.054 -3.967 1.00 0.00 C ATOM 278 O GLN A 18 5.546 5.920 -3.529 1.00 0.00 O ATOM 279 CB GLN A 18 5.236 7.239 -6.479 1.00 0.00 C ATOM 280 CG GLN A 18 4.304 7.073 -7.681 1.00 0.00 C ATOM 281 CD GLN A 18 4.222 8.366 -8.494 1.00 0.00 C ATOM 282 OE1 GLN A 18 3.534 9.310 -8.141 1.00 0.00 O ATOM 283 NE2 GLN A 18 4.962 8.357 -9.600 1.00 0.00 N ATOM 0 H GLN A 18 3.664 9.088 -5.891 1.00 0.00 H new ATOM 0 HA GLN A 18 3.710 6.473 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.814 8.157 -6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.949 6.415 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.664 6.263 -8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.309 6.791 -7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.515 7.533 -9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.976 9.174 -10.211 1.00 0.00 H new ATOM 292 N GLY A 19 5.905 8.152 -3.465 1.00 0.00 N ATOM 293 CA GLY A 19 6.797 8.088 -2.320 1.00 0.00 C ATOM 294 C GLY A 19 6.010 7.894 -1.022 1.00 0.00 C ATOM 295 O GLY A 19 6.438 7.154 -0.137 1.00 0.00 O ATOM 0 H GLY A 19 5.747 9.091 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.501 7.266 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.384 9.004 -2.260 1.00 0.00 H new ATOM 299 N GLU A 20 4.873 8.570 -0.950 1.00 0.00 N ATOM 300 CA GLU A 20 4.023 8.482 0.224 1.00 0.00 C ATOM 301 C GLU A 20 3.428 7.077 0.344 1.00 0.00 C ATOM 302 O GLU A 20 3.404 6.500 1.430 1.00 0.00 O ATOM 303 CB GLU A 20 2.921 9.542 0.185 1.00 0.00 C ATOM 304 CG GLU A 20 3.346 10.803 0.940 1.00 0.00 C ATOM 305 CD GLU A 20 2.782 10.806 2.362 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.570 11.084 2.492 1.00 0.00 O ATOM 307 OE2 GLU A 20 3.575 10.531 3.288 1.00 0.00 O ATOM 0 H GLU A 20 4.521 9.181 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 20 4.634 8.674 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.690 9.794 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.009 9.140 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.434 10.860 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.998 11.686 0.405 1.00 0.00 H new ATOM 314 N LEU A 21 2.962 6.568 -0.787 1.00 0.00 N ATOM 315 CA LEU A 21 2.369 5.242 -0.823 1.00 0.00 C ATOM 316 C LEU A 21 3.341 4.236 -0.203 1.00 0.00 C ATOM 317 O LEU A 21 2.927 3.331 0.520 1.00 0.00 O ATOM 318 CB LEU A 21 1.941 4.885 -2.248 1.00 0.00 C ATOM 319 CG LEU A 21 0.774 3.903 -2.371 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.068 2.604 -1.618 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.536 4.548 -1.911 1.00 0.00 C ATOM 0 H LEU A 21 2.983 7.050 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 21 1.458 5.216 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.672 5.805 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.801 4.464 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 21 0.655 3.645 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.222 1.924 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.962 2.138 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.229 2.824 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.349 3.829 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.445 4.854 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.748 5.421 -2.528 1.00 0.00 H new ATOM 333 N MET A 22 4.616 4.428 -0.508 1.00 0.00 N ATOM 334 CA MET A 22 5.651 3.549 0.010 1.00 0.00 C ATOM 335 C MET A 22 5.549 3.420 1.531 1.00 0.00 C ATOM 336 O MET A 22 5.358 2.322 2.053 1.00 0.00 O ATOM 337 CB MET A 22 7.027 4.104 -0.364 1.00 0.00 C ATOM 338 CG MET A 22 7.240 4.066 -1.879 1.00 0.00 C ATOM 339 SD MET A 22 8.895 3.509 -2.248 1.00 0.00 S ATOM 340 CE MET A 22 8.856 1.894 -1.488 1.00 0.00 C ATOM 0 H MET A 22 4.956 5.180 -1.108 1.00 0.00 H new ATOM 0 HA MET A 22 5.516 2.561 -0.430 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.119 5.129 -0.006 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.805 3.522 0.131 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.512 3.399 -2.340 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.078 5.057 -2.302 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.728 1.773 -0.845 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.949 1.794 -0.891 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.867 1.127 -2.262 1.00 0.00 H new ATOM 350 N LYS A 23 5.680 4.556 2.200 1.00 0.00 N ATOM 351 CA LYS A 23 5.605 4.583 3.651 1.00 0.00 C ATOM 352 C LYS A 23 4.256 4.018 4.098 1.00 0.00 C ATOM 353 O LYS A 23 4.139 3.475 5.196 1.00 0.00 O ATOM 354 CB LYS A 23 5.886 5.993 4.175 1.00 0.00 C ATOM 355 CG LYS A 23 6.879 5.957 5.339 1.00 0.00 C ATOM 356 CD LYS A 23 8.154 6.730 4.996 1.00 0.00 C ATOM 357 CE LYS A 23 7.943 8.236 5.159 1.00 0.00 C ATOM 358 NZ LYS A 23 8.582 8.717 6.405 1.00 0.00 N ATOM 0 H LYS A 23 5.838 5.465 1.764 1.00 0.00 H new ATOM 0 HA LYS A 23 6.376 3.947 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.285 6.611 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.955 6.456 4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.418 6.386 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.129 4.923 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.968 6.401 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.452 6.510 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.362 8.763 4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.876 8.460 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.429 9.741 6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.163 8.227 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.603 8.521 6.370 1.00 0.00 H new ATOM 372 N LEU A 24 3.270 4.165 3.225 1.00 0.00 N ATOM 373 CA LEU A 24 1.933 3.676 3.516 1.00 0.00 C ATOM 374 C LEU A 24 1.960 2.148 3.597 1.00 0.00 C ATOM 375 O LEU A 24 1.379 1.561 4.509 1.00 0.00 O ATOM 376 CB LEU A 24 0.930 4.220 2.498 1.00 0.00 C ATOM 377 CG LEU A 24 0.057 5.384 2.972 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.458 6.201 1.785 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.082 4.888 3.864 1.00 0.00 C ATOM 0 H LEU A 24 3.370 4.616 2.316 1.00 0.00 H new ATOM 0 HA LEU A 24 1.597 4.041 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.479 4.541 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.277 3.404 2.190 1.00 0.00 H new ATOM 0 HG LEU A 24 0.673 6.049 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.076 7.022 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.387 6.603 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.053 5.561 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.687 5.735 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.705 4.190 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.667 4.385 4.737 1.00 0.00 H new ATOM 391 N ILE A 25 2.641 1.548 2.632 1.00 0.00 N ATOM 392 CA ILE A 25 2.751 0.100 2.582 1.00 0.00 C ATOM 393 C ILE A 25 3.599 -0.383 3.760 1.00 0.00 C ATOM 394 O ILE A 25 3.242 -1.349 4.432 1.00 0.00 O ATOM 395 CB ILE A 25 3.278 -0.351 1.219 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.140 -0.469 0.203 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.075 -1.651 1.342 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.688 -0.599 -1.220 1.00 0.00 C ATOM 0 H ILE A 25 3.122 2.038 1.878 1.00 0.00 H new ATOM 0 HA ILE A 25 1.769 -0.361 2.686 1.00 0.00 H new ATOM 0 HB ILE A 25 3.963 0.412 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.524 -1.336 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.495 0.407 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.438 -1.950 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.922 -1.497 2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.433 -2.435 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.859 -0.681 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.283 0.281 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.312 -1.490 -1.289 1.00 0.00 H new ATOM 410 N LYS A 26 4.707 0.312 3.975 1.00 0.00 N ATOM 411 CA LYS A 26 5.609 -0.034 5.060 1.00 0.00 C ATOM 412 C LYS A 26 4.890 0.160 6.397 1.00 0.00 C ATOM 413 O LYS A 26 5.047 -0.646 7.312 1.00 0.00 O ATOM 414 CB LYS A 26 6.915 0.755 4.943 1.00 0.00 C ATOM 415 CG LYS A 26 8.061 0.027 5.648 1.00 0.00 C ATOM 416 CD LYS A 26 7.964 0.193 7.166 1.00 0.00 C ATOM 417 CE LYS A 26 9.215 0.875 7.724 1.00 0.00 C ATOM 418 NZ LYS A 26 10.384 -0.028 7.630 1.00 0.00 N ATOM 0 H LYS A 26 5.000 1.113 3.416 1.00 0.00 H new ATOM 0 HA LYS A 26 5.892 -1.085 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.164 0.900 3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.786 1.746 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.036 -1.032 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.016 0.417 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.082 0.783 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.838 -0.783 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.412 1.794 7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.049 1.158 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.224 0.451 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.199 -0.893 8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.551 -0.277 6.634 1.00 0.00 H new ATOM 432 N GLU A 27 4.118 1.234 6.466 1.00 0.00 N ATOM 433 CA GLU A 27 3.375 1.545 7.675 1.00 0.00 C ATOM 434 C GLU A 27 2.457 0.379 8.048 1.00 0.00 C ATOM 435 O GLU A 27 2.269 0.084 9.228 1.00 0.00 O ATOM 436 CB GLU A 27 2.577 2.840 7.512 1.00 0.00 C ATOM 437 CG GLU A 27 1.443 2.919 8.536 1.00 0.00 C ATOM 438 CD GLU A 27 1.267 4.349 9.050 1.00 0.00 C ATOM 439 OE1 GLU A 27 2.293 4.938 9.453 1.00 0.00 O ATOM 440 OE2 GLU A 27 0.110 4.821 9.028 1.00 0.00 O ATOM 0 H GLU A 27 3.991 1.900 5.704 1.00 0.00 H new ATOM 0 HA GLU A 27 4.087 1.696 8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.240 3.697 7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.166 2.893 6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.514 2.575 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.656 2.252 9.372 1.00 0.00 H new ATOM 447 N ILE A 28 1.910 -0.254 7.020 1.00 0.00 N ATOM 448 CA ILE A 28 1.016 -1.381 7.225 1.00 0.00 C ATOM 449 C ILE A 28 1.809 -2.558 7.796 1.00 0.00 C ATOM 450 O ILE A 28 1.265 -3.379 8.533 1.00 0.00 O ATOM 451 CB ILE A 28 0.267 -1.713 5.933 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.038 -0.920 5.836 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.033 -3.220 5.806 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.917 0.210 4.811 1.00 0.00 C ATOM 0 H ILE A 28 2.069 -0.008 6.043 1.00 0.00 H new ATOM 0 HA ILE A 28 0.247 -1.129 7.956 1.00 0.00 H new ATOM 0 HB ILE A 28 0.890 -1.412 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.853 -1.587 5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.289 -0.505 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.501 -3.428 4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.992 -3.738 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.559 -3.569 6.652 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.858 0.758 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.117 0.888 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.690 -0.210 3.831 1.00 0.00 H new ATOM 466 N VAL A 29 3.083 -2.604 7.433 1.00 0.00 N ATOM 467 CA VAL A 29 3.956 -3.667 7.899 1.00 0.00 C ATOM 468 C VAL A 29 4.613 -3.242 9.214 1.00 0.00 C ATOM 469 O VAL A 29 5.598 -3.841 9.643 1.00 0.00 O ATOM 470 CB VAL A 29 4.972 -4.024 6.812 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.398 -5.490 6.921 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.417 -3.716 5.420 1.00 0.00 C ATOM 0 H VAL A 29 3.531 -1.922 6.821 1.00 0.00 H new ATOM 0 HA VAL A 29 3.382 -4.572 8.099 1.00 0.00 H new ATOM 0 HB VAL A 29 5.857 -3.406 6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.120 -5.718 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.853 -5.665 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.525 -6.132 6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.159 -3.979 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.509 -4.296 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.187 -2.653 5.347 1.00 0.00 H new ATOM 482 N GLU A 30 4.040 -2.210 9.818 1.00 0.00 N ATOM 483 CA GLU A 30 4.557 -1.698 11.075 1.00 0.00 C ATOM 484 C GLU A 30 4.288 -2.693 12.205 1.00 0.00 C ATOM 485 O GLU A 30 5.040 -2.755 13.176 1.00 0.00 O ATOM 486 CB GLU A 30 3.958 -0.328 11.397 1.00 0.00 C ATOM 487 CG GLU A 30 4.707 0.341 12.551 1.00 0.00 C ATOM 488 CD GLU A 30 3.757 0.667 13.705 1.00 0.00 C ATOM 489 OE1 GLU A 30 2.625 1.104 13.403 1.00 0.00 O ATOM 490 OE2 GLU A 30 4.183 0.472 14.864 1.00 0.00 O ATOM 0 H GLU A 30 3.223 -1.715 9.460 1.00 0.00 H new ATOM 0 HA GLU A 30 5.635 -1.573 10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.001 0.309 10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.906 -0.440 11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.501 -0.317 12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.184 1.256 12.198 1.00 0.00 H new ATOM 497 N ASN A 31 3.211 -3.449 12.041 1.00 0.00 N ATOM 498 CA ASN A 31 2.833 -4.438 13.035 1.00 0.00 C ATOM 499 C ASN A 31 2.195 -5.640 12.335 1.00 0.00 C ATOM 500 O ASN A 31 1.075 -6.031 12.662 1.00 0.00 O ATOM 501 CB ASN A 31 1.811 -3.867 14.020 1.00 0.00 C ATOM 502 CG ASN A 31 0.508 -3.499 13.306 1.00 0.00 C ATOM 503 OD1 ASN A 31 0.488 -2.750 12.343 1.00 0.00 O ATOM 504 ND2 ASN A 31 -0.575 -4.065 13.831 1.00 0.00 N ATOM 0 H ASN A 31 2.589 -3.396 11.234 1.00 0.00 H new ATOM 0 HA ASN A 31 3.732 -4.731 13.578 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.607 -4.598 14.803 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.224 -2.984 14.508 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.493 -3.882 13.427 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.487 -4.683 14.638 1.00 0.00 H new ATOM 511 N GLU A 32 2.934 -6.192 11.385 1.00 0.00 N ATOM 512 CA GLU A 32 2.455 -7.341 10.636 1.00 0.00 C ATOM 513 C GLU A 32 2.231 -8.530 11.573 1.00 0.00 C ATOM 514 O GLU A 32 2.053 -8.351 12.777 1.00 0.00 O ATOM 515 CB GLU A 32 3.425 -7.706 9.510 1.00 0.00 C ATOM 516 CG GLU A 32 4.665 -8.411 10.062 1.00 0.00 C ATOM 517 CD GLU A 32 4.870 -9.769 9.387 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.188 -9.760 8.179 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.703 -10.785 10.095 1.00 0.00 O ATOM 0 H GLU A 32 3.862 -5.865 11.116 1.00 0.00 H new ATOM 0 HA GLU A 32 1.501 -7.079 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.925 -8.353 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.723 -6.804 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.544 -7.786 9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.561 -8.548 11.138 1.00 0.00 H new ATOM 526 N ASP A 33 2.247 -9.717 10.986 1.00 0.00 N ATOM 527 CA ASP A 33 2.048 -10.935 11.753 1.00 0.00 C ATOM 528 C ASP A 33 2.582 -12.127 10.957 1.00 0.00 C ATOM 529 O ASP A 33 2.585 -12.106 9.727 1.00 0.00 O ATOM 530 CB ASP A 33 0.563 -11.177 12.027 1.00 0.00 C ATOM 531 CG ASP A 33 0.259 -11.939 13.319 1.00 0.00 C ATOM 532 OD1 ASP A 33 1.143 -11.933 14.202 1.00 0.00 O ATOM 533 OD2 ASP A 33 -0.850 -12.511 13.393 1.00 0.00 O ATOM 0 H ASP A 33 2.395 -9.862 9.987 1.00 0.00 H new ATOM 0 HA ASP A 33 2.576 -10.827 12.700 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.054 -10.214 12.063 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.140 -11.730 11.189 1.00 0.00 H new ATOM 538 N LYS A 34 3.022 -13.139 11.691 1.00 0.00 N ATOM 539 CA LYS A 34 3.557 -14.338 11.068 1.00 0.00 C ATOM 540 C LYS A 34 2.402 -15.197 10.549 1.00 0.00 C ATOM 541 O LYS A 34 2.488 -15.768 9.463 1.00 0.00 O ATOM 542 CB LYS A 34 4.484 -15.076 12.036 1.00 0.00 C ATOM 543 CG LYS A 34 5.937 -14.631 11.850 1.00 0.00 C ATOM 544 CD LYS A 34 6.525 -14.115 13.165 1.00 0.00 C ATOM 545 CE LYS A 34 7.532 -15.111 13.743 1.00 0.00 C ATOM 546 NZ LYS A 34 6.870 -16.015 14.709 1.00 0.00 N ATOM 0 H LYS A 34 3.019 -13.153 12.711 1.00 0.00 H new ATOM 0 HA LYS A 34 4.173 -14.077 10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.170 -14.886 13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.405 -16.151 11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.533 -15.467 11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.987 -13.848 11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.013 -13.155 12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.724 -13.944 13.884 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.979 -15.694 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.342 -14.574 14.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.567 -16.685 15.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.464 -15.456 15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.112 -16.541 14.229 1.00 0.00 H new ATOM 560 N ARG A 35 1.348 -15.261 11.349 1.00 0.00 N ATOM 561 CA ARG A 35 0.177 -16.040 10.983 1.00 0.00 C ATOM 562 C ARG A 35 -0.681 -15.270 9.978 1.00 0.00 C ATOM 563 O ARG A 35 -1.631 -15.817 9.419 1.00 0.00 O ATOM 564 CB ARG A 35 -0.669 -16.374 12.214 1.00 0.00 C ATOM 565 CG ARG A 35 -0.479 -17.834 12.630 1.00 0.00 C ATOM 566 CD ARG A 35 -1.341 -18.765 11.773 1.00 0.00 C ATOM 567 NE ARG A 35 -2.715 -18.827 12.319 1.00 0.00 N ATOM 568 CZ ARG A 35 -3.039 -19.429 13.472 1.00 0.00 C ATOM 569 NH1 ARG A 35 -2.089 -20.025 14.206 1.00 0.00 N ATOM 570 NH2 ARG A 35 -4.312 -19.436 13.889 1.00 0.00 N ATOM 0 H ARG A 35 1.280 -14.786 12.249 1.00 0.00 H new ATOM 0 HA ARG A 35 0.525 -16.969 10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.392 -15.718 13.039 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.721 -16.188 11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.571 -18.111 12.531 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.742 -17.954 13.681 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.366 -18.407 10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.903 -19.763 11.753 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.462 -18.384 11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.120 -20.020 13.887 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.335 -20.483 15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.035 -18.983 13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.559 -19.894 14.766 1.00 0.00 H new ATOM 584 N LYS A 36 -0.315 -14.012 9.777 1.00 0.00 N ATOM 585 CA LYS A 36 -1.039 -13.162 8.848 1.00 0.00 C ATOM 586 C LYS A 36 -0.218 -11.900 8.573 1.00 0.00 C ATOM 587 O LYS A 36 -0.599 -10.805 8.986 1.00 0.00 O ATOM 588 CB LYS A 36 -2.448 -12.877 9.370 1.00 0.00 C ATOM 589 CG LYS A 36 -3.508 -13.436 8.419 1.00 0.00 C ATOM 590 CD LYS A 36 -4.770 -12.570 8.434 1.00 0.00 C ATOM 591 CE LYS A 36 -5.301 -12.350 7.016 1.00 0.00 C ATOM 592 NZ LYS A 36 -5.895 -13.597 6.485 1.00 0.00 N ATOM 0 H LYS A 36 0.473 -13.562 10.242 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.174 -13.669 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.570 -13.321 10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.587 -11.802 9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.106 -13.481 7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.759 -14.456 8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.537 -13.049 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.550 -11.608 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.049 -11.557 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.491 -12.020 6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.250 -13.430 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.172 -14.344 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.681 -13.895 7.097 1.00 0.00 H new ATOM 606 N PRO A 37 0.922 -12.100 7.860 1.00 0.00 N ATOM 607 CA PRO A 37 1.800 -10.991 7.525 1.00 0.00 C ATOM 608 C PRO A 37 1.205 -10.141 6.401 1.00 0.00 C ATOM 609 O PRO A 37 0.352 -10.609 5.649 1.00 0.00 O ATOM 610 CB PRO A 37 3.122 -11.637 7.145 1.00 0.00 C ATOM 611 CG PRO A 37 2.802 -13.090 6.833 1.00 0.00 C ATOM 612 CD PRO A 37 1.405 -13.382 7.355 1.00 0.00 C ATOM 0 HA PRO A 37 1.935 -10.296 8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.565 -11.141 6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.842 -11.562 7.960 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.854 -13.270 5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.531 -13.751 7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.759 -13.765 6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.426 -14.135 8.143 1.00 0.00 H new ATOM 620 N TYR A 38 1.679 -8.906 6.322 1.00 0.00 N ATOM 621 CA TYR A 38 1.204 -7.986 5.302 1.00 0.00 C ATOM 622 C TYR A 38 1.987 -8.161 3.999 1.00 0.00 C ATOM 623 O TYR A 38 2.606 -7.217 3.512 1.00 0.00 O ATOM 624 CB TYR A 38 1.458 -6.581 5.851 1.00 0.00 C ATOM 625 CG TYR A 38 0.505 -6.171 6.976 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.850 -6.081 6.734 1.00 0.00 C ATOM 627 CD2 TYR A 38 1.002 -5.891 8.233 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.747 -5.695 7.793 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.105 -5.505 9.292 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.225 -5.426 9.019 1.00 0.00 C ATOM 631 OH TYR A 38 -2.072 -5.062 10.019 1.00 0.00 O ATOM 0 H TYR A 38 2.387 -8.521 6.947 1.00 0.00 H new ATOM 0 HA TYR A 38 0.151 -8.165 5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.483 -6.525 6.218 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.372 -5.862 5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.238 -6.300 5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.063 -5.961 8.422 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.810 -5.621 7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.480 -5.283 10.280 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.560 -4.902 10.839 1.00 0.00 H new ATOM 641 N SER A 39 1.933 -9.376 3.473 1.00 0.00 N ATOM 642 CA SER A 39 2.630 -9.686 2.236 1.00 0.00 C ATOM 643 C SER A 39 2.026 -8.886 1.080 1.00 0.00 C ATOM 644 O SER A 39 0.963 -8.284 1.226 1.00 0.00 O ATOM 645 CB SER A 39 2.571 -11.184 1.932 1.00 0.00 C ATOM 646 OG SER A 39 1.543 -11.839 2.670 1.00 0.00 O ATOM 0 H SER A 39 1.418 -10.157 3.880 1.00 0.00 H new ATOM 0 HA SER A 39 3.677 -9.407 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.401 -11.331 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.533 -11.640 2.167 1.00 0.00 H new ATOM 0 HG SER A 39 1.537 -12.793 2.447 1.00 0.00 H new ATOM 652 N ASP A 40 2.730 -8.904 -0.042 1.00 0.00 N ATOM 653 CA ASP A 40 2.277 -8.187 -1.222 1.00 0.00 C ATOM 654 C ASP A 40 0.805 -8.517 -1.479 1.00 0.00 C ATOM 655 O ASP A 40 0.043 -7.662 -1.929 1.00 0.00 O ATOM 656 CB ASP A 40 3.077 -8.601 -2.459 1.00 0.00 C ATOM 657 CG ASP A 40 3.385 -10.096 -2.559 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.102 -10.589 -1.662 1.00 0.00 O ATOM 659 OD2 ASP A 40 2.896 -10.712 -3.531 1.00 0.00 O ATOM 0 H ASP A 40 3.611 -9.404 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 40 2.416 -7.121 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.524 -8.299 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.018 -8.050 -2.466 1.00 0.00 H new ATOM 664 N GLN A 41 0.449 -9.758 -1.182 1.00 0.00 N ATOM 665 CA GLN A 41 -0.919 -10.210 -1.376 1.00 0.00 C ATOM 666 C GLN A 41 -1.860 -9.479 -0.417 1.00 0.00 C ATOM 667 O GLN A 41 -2.884 -8.941 -0.836 1.00 0.00 O ATOM 668 CB GLN A 41 -1.024 -11.726 -1.198 1.00 0.00 C ATOM 669 CG GLN A 41 -2.192 -12.091 -0.279 1.00 0.00 C ATOM 670 CD GLN A 41 -3.526 -11.656 -0.888 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.630 -11.351 -2.065 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.537 -11.646 -0.025 1.00 0.00 N ATOM 0 H GLN A 41 1.083 -10.464 -0.809 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.219 -9.975 -2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.159 -12.201 -2.170 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.094 -12.112 -0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.201 -13.167 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.058 -11.614 0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.381 -11.913 0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.469 -11.371 -0.335 1.00 0.00 H new ATOM 681 N GLU A 42 -1.481 -9.483 0.853 1.00 0.00 N ATOM 682 CA GLU A 42 -2.279 -8.827 1.874 1.00 0.00 C ATOM 683 C GLU A 42 -2.321 -7.317 1.627 1.00 0.00 C ATOM 684 O GLU A 42 -3.367 -6.770 1.284 1.00 0.00 O ATOM 685 CB GLU A 42 -1.743 -9.139 3.273 1.00 0.00 C ATOM 686 CG GLU A 42 -2.888 -9.327 4.270 1.00 0.00 C ATOM 687 CD GLU A 42 -2.381 -9.929 5.581 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.199 -11.165 5.606 1.00 0.00 O ATOM 689 OE2 GLU A 42 -2.185 -9.139 6.530 1.00 0.00 O ATOM 0 H GLU A 42 -0.632 -9.930 1.198 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.297 -9.213 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.133 -10.042 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.095 -8.329 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.364 -8.367 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.648 -9.977 3.837 1.00 0.00 H new ATOM 696 N ILE A 43 -1.169 -6.688 1.811 1.00 0.00 N ATOM 697 CA ILE A 43 -1.061 -5.253 1.612 1.00 0.00 C ATOM 698 C ILE A 43 -1.852 -4.854 0.364 1.00 0.00 C ATOM 699 O ILE A 43 -2.586 -3.867 0.380 1.00 0.00 O ATOM 700 CB ILE A 43 0.408 -4.827 1.571 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.834 -4.198 2.900 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.677 -3.898 0.385 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.355 -4.223 3.055 1.00 0.00 C ATOM 0 H ILE A 43 -0.303 -7.146 2.096 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.501 -4.718 2.453 1.00 0.00 H new ATOM 0 HB ILE A 43 1.018 -5.719 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.476 -3.170 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.372 -4.737 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.728 -3.610 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.437 -4.415 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.057 -3.006 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.631 -3.770 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.707 -5.254 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.813 -3.662 2.240 1.00 0.00 H new ATOM 715 N ALA A 44 -1.675 -5.641 -0.686 1.00 0.00 N ATOM 716 CA ALA A 44 -2.363 -5.383 -1.940 1.00 0.00 C ATOM 717 C ALA A 44 -3.872 -5.360 -1.693 1.00 0.00 C ATOM 718 O ALA A 44 -4.571 -4.473 -2.181 1.00 0.00 O ATOM 719 CB ALA A 44 -1.957 -6.437 -2.972 1.00 0.00 C ATOM 0 H ALA A 44 -1.065 -6.458 -0.695 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.079 -4.409 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.473 -6.243 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.880 -6.392 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.228 -7.427 -2.607 1.00 0.00 H new ATOM 725 N ASN A 45 -4.331 -6.345 -0.935 1.00 0.00 N ATOM 726 CA ASN A 45 -5.745 -6.449 -0.617 1.00 0.00 C ATOM 727 C ASN A 45 -6.146 -5.284 0.291 1.00 0.00 C ATOM 728 O ASN A 45 -7.316 -4.908 0.344 1.00 0.00 O ATOM 729 CB ASN A 45 -6.049 -7.752 0.123 1.00 0.00 C ATOM 730 CG ASN A 45 -6.312 -8.894 -0.861 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.442 -9.209 -1.198 1.00 0.00 O ATOM 732 ND2 ASN A 45 -5.210 -9.494 -1.301 1.00 0.00 N ATOM 0 H ASN A 45 -3.748 -7.079 -0.532 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.304 -6.428 -1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.211 -8.011 0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.918 -7.615 0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.280 -10.268 -1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.295 -9.180 -0.978 1.00 0.00 H new ATOM 739 N ILE A 46 -5.153 -4.746 0.983 1.00 0.00 N ATOM 740 CA ILE A 46 -5.387 -3.633 1.886 1.00 0.00 C ATOM 741 C ILE A 46 -5.707 -2.378 1.070 1.00 0.00 C ATOM 742 O ILE A 46 -6.504 -1.543 1.495 1.00 0.00 O ATOM 743 CB ILE A 46 -4.205 -3.460 2.842 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.499 -4.101 4.200 1.00 0.00 C ATOM 745 CG2 ILE A 46 -3.819 -1.985 2.975 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.301 -3.964 5.141 1.00 0.00 C ATOM 0 H ILE A 46 -4.184 -5.061 0.936 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.252 -3.832 2.519 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.345 -3.981 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.373 -3.629 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.741 -5.155 4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.976 -1.890 3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.538 -1.593 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.667 -1.420 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.536 -4.428 6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.435 -4.458 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.077 -2.908 5.294 1.00 0.00 H new ATOM 758 N LEU A 47 -5.068 -2.286 -0.087 1.00 0.00 N ATOM 759 CA LEU A 47 -5.275 -1.147 -0.967 1.00 0.00 C ATOM 760 C LEU A 47 -6.765 -1.023 -1.291 1.00 0.00 C ATOM 761 O LEU A 47 -7.295 0.084 -1.374 1.00 0.00 O ATOM 762 CB LEU A 47 -4.383 -1.258 -2.205 1.00 0.00 C ATOM 763 CG LEU A 47 -4.968 -2.035 -3.386 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.653 -1.093 -4.377 1.00 0.00 C ATOM 765 CD2 LEU A 47 -3.898 -2.897 -4.059 1.00 0.00 C ATOM 0 H LEU A 47 -4.407 -2.980 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.979 -0.223 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.138 -0.251 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.446 -1.732 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.733 -2.711 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.060 -1.671 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.461 -0.561 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.927 -0.374 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.340 -3.439 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.094 -2.259 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.497 -3.608 -3.337 1.00 0.00 H new ATOM 777 N LYS A 48 -7.398 -2.173 -1.466 1.00 0.00 N ATOM 778 CA LYS A 48 -8.816 -2.207 -1.780 1.00 0.00 C ATOM 779 C LYS A 48 -9.594 -1.474 -0.685 1.00 0.00 C ATOM 780 O LYS A 48 -10.521 -0.720 -0.977 1.00 0.00 O ATOM 781 CB LYS A 48 -9.281 -3.647 -2.005 1.00 0.00 C ATOM 782 CG LYS A 48 -9.820 -3.834 -3.425 1.00 0.00 C ATOM 783 CD LYS A 48 -9.899 -5.318 -3.790 1.00 0.00 C ATOM 784 CE LYS A 48 -11.284 -5.676 -4.332 1.00 0.00 C ATOM 785 NZ LYS A 48 -11.230 -6.943 -5.096 1.00 0.00 N ATOM 0 H LYS A 48 -6.955 -3.089 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.011 -1.684 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.450 -4.332 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.056 -3.900 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.809 -3.383 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.175 -3.315 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.140 -5.553 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.681 -5.925 -2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.990 -5.772 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.649 -4.873 -4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.178 -7.171 -5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.571 -6.839 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.902 -7.710 -4.474 1.00 0.00 H new ATOM 799 N GLU A 49 -9.187 -1.720 0.551 1.00 0.00 N ATOM 800 CA GLU A 49 -9.834 -1.092 1.691 1.00 0.00 C ATOM 801 C GLU A 49 -9.619 0.422 1.656 1.00 0.00 C ATOM 802 O GLU A 49 -10.498 1.187 2.050 1.00 0.00 O ATOM 803 CB GLU A 49 -9.327 -1.688 3.006 1.00 0.00 C ATOM 804 CG GLU A 49 -10.244 -2.814 3.487 1.00 0.00 C ATOM 805 CD GLU A 49 -10.620 -2.624 4.958 1.00 0.00 C ATOM 806 OE1 GLU A 49 -9.735 -2.173 5.716 1.00 0.00 O ATOM 807 OE2 GLU A 49 -11.785 -2.935 5.290 1.00 0.00 O ATOM 0 H GLU A 49 -8.417 -2.346 0.789 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.904 -1.288 1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.316 -2.071 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.273 -0.908 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.147 -2.838 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.746 -3.775 3.356 1.00 0.00 H new ATOM 885 N VAL A 54 -2.863 0.912 -6.055 1.00 0.00 N ATOM 886 CA VAL A 54 -1.856 -0.118 -5.867 1.00 0.00 C ATOM 887 C VAL A 54 -2.258 -1.368 -6.652 1.00 0.00 C ATOM 888 O VAL A 54 -3.269 -1.367 -7.353 1.00 0.00 O ATOM 889 CB VAL A 54 -1.656 -0.388 -4.374 1.00 0.00 C ATOM 890 CG1 VAL A 54 -0.223 -0.838 -4.085 1.00 0.00 C ATOM 891 CG2 VAL A 54 -2.023 0.841 -3.540 1.00 0.00 C ATOM 0 HA VAL A 54 -0.893 0.214 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.326 -1.199 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.108 -1.023 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.011 -1.754 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.473 -0.058 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.872 0.622 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.391 1.680 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.068 1.098 -3.711 1.00 0.00 H new ATOM 901 N ALA A 55 -1.446 -2.405 -6.508 1.00 0.00 N ATOM 902 CA ALA A 55 -1.705 -3.659 -7.195 1.00 0.00 C ATOM 903 C ALA A 55 -0.527 -4.610 -6.971 1.00 0.00 C ATOM 904 O ALA A 55 0.594 -4.168 -6.726 1.00 0.00 O ATOM 905 CB ALA A 55 -1.960 -3.386 -8.678 1.00 0.00 C ATOM 0 H ALA A 55 -0.608 -2.403 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.598 -4.139 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.154 -4.327 -9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.824 -2.729 -8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.084 -2.907 -9.116 1.00 0.00 H new ATOM 911 N ARG A 56 -0.823 -5.898 -7.064 1.00 0.00 N ATOM 912 CA ARG A 56 0.197 -6.916 -6.875 1.00 0.00 C ATOM 913 C ARG A 56 1.522 -6.460 -7.491 1.00 0.00 C ATOM 914 O ARG A 56 2.572 -6.565 -6.861 1.00 0.00 O ATOM 915 CB ARG A 56 -0.223 -8.242 -7.511 1.00 0.00 C ATOM 916 CG ARG A 56 -1.396 -8.866 -6.752 1.00 0.00 C ATOM 917 CD ARG A 56 -0.994 -10.201 -6.121 1.00 0.00 C ATOM 918 NE ARG A 56 -2.061 -11.203 -6.334 1.00 0.00 N ATOM 919 CZ ARG A 56 -1.931 -12.509 -6.062 1.00 0.00 C ATOM 920 NH1 ARG A 56 -0.778 -12.978 -5.565 1.00 0.00 N ATOM 921 NH2 ARG A 56 -2.953 -13.346 -6.287 1.00 0.00 N ATOM 0 H ARG A 56 -1.755 -6.260 -7.268 1.00 0.00 H new ATOM 0 HA ARG A 56 0.322 -7.065 -5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.504 -8.078 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.621 -8.932 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.737 -8.181 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.234 -9.019 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.060 -10.553 -6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.815 -10.069 -5.054 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.952 -10.880 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.000 -12.341 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.679 -13.972 -5.358 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.830 -12.989 -6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.853 -14.340 -6.080 1.00 0.00 H new ATOM 935 N ARG A 57 1.428 -5.964 -8.716 1.00 0.00 N ATOM 936 CA ARG A 57 2.605 -5.492 -9.425 1.00 0.00 C ATOM 937 C ARG A 57 3.263 -4.345 -8.656 1.00 0.00 C ATOM 938 O ARG A 57 4.481 -4.327 -8.482 1.00 0.00 O ATOM 939 CB ARG A 57 2.246 -5.013 -10.833 1.00 0.00 C ATOM 940 CG ARG A 57 0.918 -4.254 -10.831 1.00 0.00 C ATOM 941 CD ARG A 57 1.065 -2.889 -11.507 1.00 0.00 C ATOM 942 NE ARG A 57 -0.056 -2.665 -12.446 1.00 0.00 N ATOM 943 CZ ARG A 57 -0.164 -1.595 -13.246 1.00 0.00 C ATOM 944 NH1 ARG A 57 0.780 -0.645 -13.225 1.00 0.00 N ATOM 945 NH2 ARG A 57 -1.217 -1.476 -14.066 1.00 0.00 N ATOM 0 H ARG A 57 0.554 -5.879 -9.236 1.00 0.00 H new ATOM 0 HA ARG A 57 3.301 -6.327 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.037 -4.368 -11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.180 -5.868 -11.506 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.159 -4.840 -11.349 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.573 -4.121 -9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.082 -2.101 -10.754 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.013 -2.839 -12.042 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.793 -3.369 -12.487 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.581 -0.736 -12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.698 0.169 -13.834 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.936 -2.199 -14.081 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.300 -0.662 -14.675 1.00 0.00 H new ATOM 959 N THR A 58 2.429 -3.414 -8.216 1.00 0.00 N ATOM 960 CA THR A 58 2.914 -2.266 -7.469 1.00 0.00 C ATOM 961 C THR A 58 3.445 -2.704 -6.102 1.00 0.00 C ATOM 962 O THR A 58 4.502 -2.250 -5.668 1.00 0.00 O ATOM 963 CB THR A 58 1.779 -1.245 -7.381 1.00 0.00 C ATOM 964 OG1 THR A 58 1.838 -0.552 -8.625 1.00 0.00 O ATOM 965 CG2 THR A 58 2.047 -0.160 -6.336 1.00 0.00 C ATOM 0 H THR A 58 1.420 -3.432 -8.363 1.00 0.00 H new ATOM 0 HA THR A 58 3.757 -1.794 -7.974 1.00 0.00 H new ATOM 0 HB THR A 58 0.848 -1.758 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.134 0.129 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.211 0.539 -6.314 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.161 -0.620 -5.355 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.961 0.376 -6.594 1.00 0.00 H new ATOM 973 N VAL A 59 2.686 -3.582 -5.462 1.00 0.00 N ATOM 974 CA VAL A 59 3.066 -4.086 -4.154 1.00 0.00 C ATOM 975 C VAL A 59 4.369 -4.879 -4.277 1.00 0.00 C ATOM 976 O VAL A 59 5.244 -4.778 -3.418 1.00 0.00 O ATOM 977 CB VAL A 59 1.921 -4.906 -3.556 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.053 -5.005 -2.035 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.564 -4.322 -3.952 1.00 0.00 C ATOM 0 H VAL A 59 1.810 -3.957 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 59 3.251 -3.261 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 59 1.983 -5.915 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.227 -5.593 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.997 -5.488 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.029 -4.005 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.233 -4.923 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.488 -3.298 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.468 -4.328 -5.038 1.00 0.00 H new ATOM 989 N ALA A 60 4.456 -5.650 -5.351 1.00 0.00 N ATOM 990 CA ALA A 60 5.637 -6.460 -5.597 1.00 0.00 C ATOM 991 C ALA A 60 6.859 -5.547 -5.721 1.00 0.00 C ATOM 992 O ALA A 60 7.923 -5.852 -5.183 1.00 0.00 O ATOM 993 CB ALA A 60 5.419 -7.315 -6.847 1.00 0.00 C ATOM 0 H ALA A 60 3.728 -5.731 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 60 5.816 -7.140 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.305 -7.922 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.558 -7.966 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.239 -6.667 -7.704 1.00 0.00 H new ATOM 999 N LYS A 61 6.666 -4.447 -6.433 1.00 0.00 N ATOM 1000 CA LYS A 61 7.739 -3.488 -6.635 1.00 0.00 C ATOM 1001 C LYS A 61 8.142 -2.889 -5.286 1.00 0.00 C ATOM 1002 O LYS A 61 9.328 -2.765 -4.987 1.00 0.00 O ATOM 1003 CB LYS A 61 7.335 -2.443 -7.676 1.00 0.00 C ATOM 1004 CG LYS A 61 8.561 -1.901 -8.414 1.00 0.00 C ATOM 1005 CD LYS A 61 8.401 -2.053 -9.928 1.00 0.00 C ATOM 1006 CE LYS A 61 8.085 -0.708 -10.584 1.00 0.00 C ATOM 1007 NZ LYS A 61 9.287 0.155 -10.602 1.00 0.00 N ATOM 0 H LYS A 61 5.782 -4.198 -6.877 1.00 0.00 H new ATOM 0 HA LYS A 61 8.621 -3.983 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.642 -2.886 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.808 -1.623 -7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.705 -0.850 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.453 -2.433 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.316 -2.463 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.603 -2.763 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.730 -0.868 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.282 -0.211 -10.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.144 0.935 -11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.450 0.543 -9.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.113 -0.406 -10.893 1.00 0.00 H new ATOM 1021 N TYR A 62 7.130 -2.533 -4.507 1.00 0.00 N ATOM 1022 CA TYR A 62 7.364 -1.949 -3.197 1.00 0.00 C ATOM 1023 C TYR A 62 7.997 -2.969 -2.248 1.00 0.00 C ATOM 1024 O TYR A 62 8.909 -2.636 -1.493 1.00 0.00 O ATOM 1025 CB TYR A 62 5.987 -1.556 -2.659 1.00 0.00 C ATOM 1026 CG TYR A 62 5.500 -0.187 -3.138 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.561 0.137 -4.478 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.998 0.723 -2.230 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.102 1.425 -4.929 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.539 2.012 -2.681 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.614 2.299 -4.009 1.00 0.00 C ATOM 1032 OH TYR A 62 4.180 3.516 -4.434 1.00 0.00 O ATOM 0 H TYR A 62 6.147 -2.638 -4.758 1.00 0.00 H new ATOM 0 HA TYR A 62 8.042 -1.099 -3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.262 -2.313 -2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.020 -1.558 -1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.953 -0.576 -5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.949 0.469 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.144 1.691 -5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.144 2.734 -1.981 1.00 0.00 H new ATOM 0 HH TYR A 62 4.750 4.217 -4.055 1.00 0.00 H new ATOM 1042 N ARG A 63 7.488 -4.190 -2.317 1.00 0.00 N ATOM 1043 CA ARG A 63 7.992 -5.260 -1.474 1.00 0.00 C ATOM 1044 C ARG A 63 9.522 -5.284 -1.504 1.00 0.00 C ATOM 1045 O ARG A 63 10.164 -5.487 -0.474 1.00 0.00 O ATOM 1046 CB ARG A 63 7.459 -6.620 -1.930 1.00 0.00 C ATOM 1047 CG ARG A 63 8.015 -7.748 -1.059 1.00 0.00 C ATOM 1048 CD ARG A 63 6.980 -8.205 -0.028 1.00 0.00 C ATOM 1049 NE ARG A 63 7.215 -9.621 0.331 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.254 -10.049 1.061 1.00 0.00 C ATOM 1051 NH1 ARG A 63 9.160 -9.172 1.515 1.00 0.00 N ATOM 1052 NH2 ARG A 63 8.387 -11.353 1.338 1.00 0.00 N ATOM 0 H ARG A 63 6.731 -4.462 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 63 7.647 -5.070 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.370 -6.622 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.733 -6.791 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.303 -8.590 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.916 -7.408 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.042 -7.580 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.975 -8.086 -0.432 1.00 0.00 H new ATOM 0 HE ARG A 63 6.544 -10.315 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.059 -8.179 1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.951 -9.497 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.697 -12.021 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.178 -11.678 1.894 1.00 0.00 H new ATOM 1066 N GLU A 64 10.062 -5.075 -2.696 1.00 0.00 N ATOM 1067 CA GLU A 64 11.504 -5.070 -2.874 1.00 0.00 C ATOM 1068 C GLU A 64 12.113 -3.820 -2.235 1.00 0.00 C ATOM 1069 O GLU A 64 13.190 -3.883 -1.643 1.00 0.00 O ATOM 1070 CB GLU A 64 11.874 -5.164 -4.355 1.00 0.00 C ATOM 1071 CG GLU A 64 12.302 -6.585 -4.724 1.00 0.00 C ATOM 1072 CD GLU A 64 11.204 -7.302 -5.513 1.00 0.00 C ATOM 1073 OE1 GLU A 64 10.180 -7.640 -4.880 1.00 0.00 O ATOM 1074 OE2 GLU A 64 11.412 -7.494 -6.730 1.00 0.00 O ATOM 0 H GLU A 64 9.527 -4.908 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 64 11.915 -5.947 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.022 -4.867 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.683 -4.468 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.217 -6.551 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.529 -7.147 -3.818 1.00 0.00 H new ATOM 1081 N MET A 65 11.398 -2.714 -2.375 1.00 0.00 N ATOM 1082 CA MET A 65 11.855 -1.451 -1.819 1.00 0.00 C ATOM 1083 C MET A 65 11.833 -1.486 -0.290 1.00 0.00 C ATOM 1084 O MET A 65 12.487 -0.674 0.363 1.00 0.00 O ATOM 1085 CB MET A 65 10.955 -0.318 -2.317 1.00 0.00 C ATOM 1086 CG MET A 65 11.276 0.039 -3.769 1.00 0.00 C ATOM 1087 SD MET A 65 10.429 1.541 -4.230 1.00 0.00 S ATOM 1088 CE MET A 65 9.203 0.877 -5.345 1.00 0.00 C ATOM 0 H MET A 65 10.505 -2.666 -2.866 1.00 0.00 H new ATOM 0 HA MET A 65 12.881 -1.282 -2.145 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.910 -0.616 -2.235 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.087 0.560 -1.685 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.352 0.166 -3.892 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.974 -0.775 -4.428 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.272 1.434 -5.236 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.560 0.964 -6.371 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.028 -0.173 -5.110 1.00 0.00 H new ATOM 1098 N LEU A 66 11.075 -2.436 0.238 1.00 0.00 N ATOM 1099 CA LEU A 66 10.960 -2.588 1.679 1.00 0.00 C ATOM 1100 C LEU A 66 10.666 -4.052 2.011 1.00 0.00 C ATOM 1101 O LEU A 66 11.502 -4.740 2.594 1.00 0.00 O ATOM 1102 CB LEU A 66 9.926 -1.610 2.239 1.00 0.00 C ATOM 1103 CG LEU A 66 8.720 -1.322 1.343 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.418 -1.359 2.145 1.00 0.00 C ATOM 1105 CD2 LEU A 66 8.896 0.003 0.597 1.00 0.00 C ATOM 0 H LEU A 66 10.534 -3.108 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 66 11.901 -2.334 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.562 -2.002 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.427 -0.666 2.454 1.00 0.00 H new ATOM 0 HG LEU A 66 8.657 -2.110 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.577 -1.151 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.293 -2.346 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.455 -0.607 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.025 0.184 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.999 0.815 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.790 -0.046 -0.025 1.00 0.00 H new