USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 771 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 66 HIS :FLIP no HD1:sc= -0.455 F(o=-5.4,f=-0.61) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.159 K(o=-0.61,f=-1.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.122 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00108 USER MOD Single : A 34 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.25) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -112:sc= -0.0243 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.348 F(o=-2.6!,f=-0.35) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -5.34! C(o=-5.3!,f=-14!) USER MOD Single : A 65 MET CE :methyl 150:sc= -0.0231 (180deg=-0.717) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0404 USER MOD Single : A 70 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.7) USER MOD Single : A 74 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.067) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -162:sc= -1.22 USER MOD Single : A 94 CYS SG : rot -69:sc= -0.946 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -13:sc= 0.796 USER MOD Single : A 102 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 103 TYR OH : rot 30:sc= -0.31 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.267 F(o=-1.4,f=-0.27) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 265 N GLU A 20 -3.909 -10.349 -6.209 1.00 0.00 N ATOM 266 CA GLU A 20 -4.204 -10.421 -4.782 1.00 0.00 C ATOM 267 C GLU A 20 -4.058 -9.050 -4.126 1.00 0.00 C ATOM 268 O GLU A 20 -4.930 -8.613 -3.374 1.00 0.00 O ATOM 269 CB GLU A 20 -3.277 -11.427 -4.097 1.00 0.00 C ATOM 270 CG GLU A 20 -3.369 -12.830 -4.675 1.00 0.00 C ATOM 271 CD GLU A 20 -2.367 -13.784 -4.053 1.00 0.00 C ATOM 272 OE1 GLU A 20 -2.696 -14.396 -3.015 1.00 0.00 O ATOM 273 OE2 GLU A 20 -1.254 -13.916 -4.604 1.00 0.00 O ATOM 0 HA GLU A 20 -5.236 -10.752 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.249 -11.076 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.517 -11.464 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.377 -13.217 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.204 -12.787 -5.752 1.00 0.00 H new ATOM 280 N THR A 21 -2.950 -8.377 -4.417 1.00 0.00 N ATOM 281 CA THR A 21 -2.689 -7.058 -3.855 1.00 0.00 C ATOM 282 C THR A 21 -2.980 -5.959 -4.872 1.00 0.00 C ATOM 283 O THR A 21 -2.852 -6.150 -6.081 1.00 0.00 O ATOM 284 CB THR A 21 -1.228 -6.928 -3.381 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.408 -6.440 -4.448 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.695 -8.269 -2.899 1.00 0.00 C ATOM 0 H THR A 21 -2.219 -8.723 -5.038 1.00 0.00 H new ATOM 0 HA THR A 21 -3.353 -6.943 -2.999 1.00 0.00 H new ATOM 0 HB THR A 21 -1.200 -6.223 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.518 -6.359 -4.138 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.337 -8.153 -2.569 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.303 -8.625 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.737 -8.991 -3.714 1.00 0.00 H new ATOM 294 N PRO A 22 -3.379 -4.780 -4.372 1.00 0.00 N ATOM 295 CA PRO A 22 -3.696 -3.628 -5.221 1.00 0.00 C ATOM 296 C PRO A 22 -2.456 -3.037 -5.883 1.00 0.00 C ATOM 297 O PRO A 22 -1.332 -3.266 -5.434 1.00 0.00 O ATOM 298 CB PRO A 22 -4.307 -2.623 -4.241 1.00 0.00 C ATOM 299 CG PRO A 22 -3.733 -2.989 -2.916 1.00 0.00 C ATOM 300 CD PRO A 22 -3.552 -4.482 -2.941 1.00 0.00 C ATOM 0 HA PRO A 22 -4.357 -3.899 -6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.052 -1.599 -4.514 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.395 -2.689 -4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.782 -2.483 -2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.399 -2.690 -2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.684 -4.792 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.417 -4.999 -2.524 1.00 0.00 H new ATOM 308 N SER A 23 -2.666 -2.277 -6.953 1.00 0.00 N ATOM 309 CA SER A 23 -1.565 -1.657 -7.679 1.00 0.00 C ATOM 310 C SER A 23 -0.886 -0.588 -6.827 1.00 0.00 C ATOM 311 O SER A 23 0.324 -0.379 -6.923 1.00 0.00 O ATOM 312 CB SER A 23 -2.070 -1.040 -8.985 1.00 0.00 C ATOM 313 OG SER A 23 -2.764 -1.997 -9.766 1.00 0.00 O ATOM 0 H SER A 23 -3.590 -2.076 -7.336 1.00 0.00 H new ATOM 0 HA SER A 23 -0.834 -2.431 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.729 -0.200 -8.763 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.228 -0.644 -9.553 1.00 0.00 H new ATOM 0 HG SER A 23 -3.078 -1.578 -10.594 1.00 0.00 H new ATOM 319 N CYS A 24 -1.674 0.084 -5.995 1.00 0.00 N ATOM 320 CA CYS A 24 -1.150 1.132 -5.125 1.00 0.00 C ATOM 321 C CYS A 24 -0.170 0.555 -4.109 1.00 0.00 C ATOM 322 O CYS A 24 0.647 1.280 -3.539 1.00 0.00 O ATOM 323 CB CYS A 24 -2.295 1.843 -4.403 1.00 0.00 C ATOM 324 SG CYS A 24 -2.889 0.978 -2.931 1.00 0.00 S ATOM 0 H CYS A 24 -2.677 -0.078 -5.904 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.618 1.854 -5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.965 2.842 -4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.126 1.969 -5.097 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.855 1.658 -2.389 1.00 0.00 H new ATOM 330 N PHE A 25 -0.259 -0.751 -3.884 1.00 0.00 N ATOM 331 CA PHE A 25 0.618 -1.424 -2.932 1.00 0.00 C ATOM 332 C PHE A 25 2.029 -1.560 -3.496 1.00 0.00 C ATOM 333 O PHE A 25 2.224 -1.595 -4.712 1.00 0.00 O ATOM 334 CB PHE A 25 0.061 -2.806 -2.583 1.00 0.00 C ATOM 335 CG PHE A 25 0.980 -3.622 -1.720 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.037 -4.321 -2.279 1.00 0.00 C ATOM 337 CD2 PHE A 25 0.787 -3.690 -0.349 1.00 0.00 C ATOM 338 CE1 PHE A 25 2.884 -5.073 -1.488 1.00 0.00 C ATOM 339 CE2 PHE A 25 1.631 -4.440 0.448 1.00 0.00 C ATOM 340 CZ PHE A 25 2.682 -5.133 -0.123 1.00 0.00 C ATOM 0 H PHE A 25 -0.929 -1.365 -4.347 1.00 0.00 H new ATOM 0 HA PHE A 25 0.664 -0.819 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.894 -2.685 -2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.139 -3.352 -3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.201 -4.278 -3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.033 -3.150 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.704 -5.614 -1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.470 -4.485 1.515 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.344 -5.720 0.497 1.00 0.00 H new ATOM 350 N LEU A 26 3.011 -1.637 -2.604 1.00 0.00 N ATOM 351 CA LEU A 26 4.405 -1.769 -3.011 1.00 0.00 C ATOM 352 C LEU A 26 5.219 -2.491 -1.942 1.00 0.00 C ATOM 353 O LEU A 26 4.883 -2.452 -0.758 1.00 0.00 O ATOM 354 CB LEU A 26 5.010 -0.391 -3.283 1.00 0.00 C ATOM 355 CG LEU A 26 4.327 0.790 -2.594 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.463 0.677 -1.083 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.911 2.106 -3.086 1.00 0.00 C ATOM 0 H LEU A 26 2.867 -1.610 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 26 4.436 -2.360 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.056 -0.409 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.996 -0.216 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 26 3.267 0.769 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.971 1.526 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.997 -0.248 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.519 0.672 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.412 2.935 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.978 2.136 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.762 2.190 -4.162 1.00 0.00 H new ATOM 369 N LYS A 27 6.291 -3.151 -2.366 1.00 0.00 N ATOM 370 CA LYS A 27 7.156 -3.880 -1.446 1.00 0.00 C ATOM 371 C LYS A 27 8.346 -3.023 -1.022 1.00 0.00 C ATOM 372 O LYS A 27 9.283 -2.821 -1.793 1.00 0.00 O ATOM 373 CB LYS A 27 7.652 -5.173 -2.095 1.00 0.00 C ATOM 374 CG LYS A 27 6.545 -5.995 -2.735 1.00 0.00 C ATOM 375 CD LYS A 27 5.897 -6.934 -1.731 1.00 0.00 C ATOM 376 CE LYS A 27 6.815 -8.094 -1.379 1.00 0.00 C ATOM 377 NZ LYS A 27 6.619 -9.253 -2.293 1.00 0.00 N ATOM 0 H LYS A 27 6.582 -3.196 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 27 6.573 -4.126 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.396 -4.927 -2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.154 -5.779 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.790 -5.328 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.953 -6.573 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.644 -6.382 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.964 -7.319 -2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.853 -7.764 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.628 -8.406 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.263 -10.023 -2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.635 -9.584 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.822 -8.962 -3.271 1.00 0.00 H new ATOM 391 N VAL A 28 8.300 -2.523 0.208 1.00 0.00 N ATOM 392 CA VAL A 28 9.374 -1.690 0.735 1.00 0.00 C ATOM 393 C VAL A 28 9.478 -1.820 2.250 1.00 0.00 C ATOM 394 O VAL A 28 8.520 -2.213 2.917 1.00 0.00 O ATOM 395 CB VAL A 28 9.166 -0.208 0.372 1.00 0.00 C ATOM 396 CG1 VAL A 28 8.728 -0.071 -1.078 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.152 0.432 1.307 1.00 0.00 C ATOM 0 H VAL A 28 7.530 -2.680 0.859 1.00 0.00 H new ATOM 0 HA VAL A 28 10.299 -2.042 0.278 1.00 0.00 H new ATOM 0 HB VAL A 28 10.115 0.315 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.586 0.983 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.493 -0.491 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.790 -0.607 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.017 1.479 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.199 -0.090 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.512 0.366 2.334 1.00 0.00 H new ATOM 407 N SER A 29 10.647 -1.487 2.789 1.00 0.00 N ATOM 408 CA SER A 29 10.877 -1.570 4.227 1.00 0.00 C ATOM 409 C SER A 29 10.053 -0.523 4.970 1.00 0.00 C ATOM 410 O SER A 29 9.315 0.250 4.360 1.00 0.00 O ATOM 411 CB SER A 29 12.363 -1.381 4.538 1.00 0.00 C ATOM 412 OG SER A 29 12.721 -2.048 5.737 1.00 0.00 O ATOM 0 H SER A 29 11.449 -1.157 2.252 1.00 0.00 H new ATOM 0 HA SER A 29 10.565 -2.559 4.564 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.962 -1.764 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.587 -0.318 4.628 1.00 0.00 H new ATOM 0 HG SER A 29 13.676 -1.914 5.913 1.00 0.00 H new ATOM 418 N ARG A 30 10.185 -0.505 6.292 1.00 0.00 N ATOM 419 CA ARG A 30 9.453 0.446 7.120 1.00 0.00 C ATOM 420 C ARG A 30 9.915 1.874 6.846 1.00 0.00 C ATOM 421 O ARG A 30 9.127 2.818 6.925 1.00 0.00 O ATOM 422 CB ARG A 30 9.640 0.114 8.602 1.00 0.00 C ATOM 423 CG ARG A 30 11.088 0.170 9.060 1.00 0.00 C ATOM 424 CD ARG A 30 11.210 -0.097 10.553 1.00 0.00 C ATOM 425 NE ARG A 30 11.028 1.119 11.342 1.00 0.00 N ATOM 426 CZ ARG A 30 11.235 1.181 12.653 1.00 0.00 C ATOM 427 NH1 ARG A 30 11.627 0.104 13.318 1.00 0.00 N ATOM 428 NH2 ARG A 30 11.048 2.324 13.301 1.00 0.00 N ATOM 0 H ARG A 30 10.792 -1.138 6.813 1.00 0.00 H new ATOM 0 HA ARG A 30 8.395 0.370 6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.052 0.811 9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.245 -0.883 8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.674 -0.565 8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.506 1.150 8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.467 -0.837 10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.190 -0.525 10.766 1.00 0.00 H new ATOM 0 HE ARG A 30 10.726 1.966 10.861 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.771 -0.776 12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.785 0.155 14.324 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.745 3.155 12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.207 2.372 14.307 1.00 0.00 H new ATOM 442 N LEU A 31 11.194 2.025 6.524 1.00 0.00 N ATOM 443 CA LEU A 31 11.761 3.338 6.238 1.00 0.00 C ATOM 444 C LEU A 31 11.633 3.677 4.755 1.00 0.00 C ATOM 445 O LEU A 31 11.147 4.748 4.393 1.00 0.00 O ATOM 446 CB LEU A 31 13.232 3.384 6.657 1.00 0.00 C ATOM 447 CG LEU A 31 13.499 3.637 8.142 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.871 3.113 8.533 1.00 0.00 C ATOM 449 CD2 LEU A 31 13.381 5.121 8.459 1.00 0.00 C ATOM 0 H LEU A 31 11.859 1.254 6.454 1.00 0.00 H new ATOM 0 HA LEU A 31 11.203 4.078 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.698 2.438 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.729 4.164 6.081 1.00 0.00 H new ATOM 0 HG LEU A 31 12.749 3.101 8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.044 3.301 9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.919 2.041 8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.636 3.620 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.574 5.283 9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.108 5.678 7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.376 5.466 8.216 1.00 0.00 H new ATOM 461 N GLU A 32 12.069 2.754 3.903 1.00 0.00 N ATOM 462 CA GLU A 32 12.001 2.953 2.461 1.00 0.00 C ATOM 463 C GLU A 32 10.647 3.528 2.055 1.00 0.00 C ATOM 464 O GLU A 32 10.546 4.287 1.092 1.00 0.00 O ATOM 465 CB GLU A 32 12.248 1.633 1.728 1.00 0.00 C ATOM 466 CG GLU A 32 13.691 1.163 1.790 1.00 0.00 C ATOM 467 CD GLU A 32 14.589 1.904 0.819 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.102 2.288 -0.265 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.779 2.099 1.142 1.00 0.00 O ATOM 0 H GLU A 32 12.473 1.861 4.187 1.00 0.00 H new ATOM 0 HA GLU A 32 12.778 3.665 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.606 0.864 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.956 1.747 0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.069 1.297 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.731 0.095 1.573 1.00 0.00 H new ATOM 476 N ALA A 33 9.607 3.158 2.795 1.00 0.00 N ATOM 477 CA ALA A 33 8.259 3.637 2.514 1.00 0.00 C ATOM 478 C ALA A 33 8.070 5.067 3.008 1.00 0.00 C ATOM 479 O ALA A 33 7.607 5.933 2.267 1.00 0.00 O ATOM 480 CB ALA A 33 7.229 2.716 3.150 1.00 0.00 C ATOM 0 H ALA A 33 9.672 2.528 3.594 1.00 0.00 H new ATOM 0 HA ALA A 33 8.116 3.633 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.227 3.085 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.341 1.710 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.380 2.691 4.229 1.00 0.00 H new ATOM 486 N GLN A 34 8.430 5.306 4.265 1.00 0.00 N ATOM 487 CA GLN A 34 8.299 6.632 4.857 1.00 0.00 C ATOM 488 C GLN A 34 8.971 7.687 3.985 1.00 0.00 C ATOM 489 O GLN A 34 8.393 8.741 3.712 1.00 0.00 O ATOM 490 CB GLN A 34 8.909 6.649 6.260 1.00 0.00 C ATOM 491 CG GLN A 34 8.469 7.838 7.100 1.00 0.00 C ATOM 492 CD GLN A 34 9.455 8.171 8.202 1.00 0.00 C ATOM 493 OE1 GLN A 34 10.658 8.282 7.963 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.950 8.332 9.420 1.00 0.00 N ATOM 0 H GLN A 34 8.814 4.600 4.892 1.00 0.00 H new ATOM 0 HA GLN A 34 7.237 6.868 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.637 5.729 6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.996 6.657 6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.344 8.707 6.455 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.495 7.626 7.541 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.947 8.231 9.574 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.566 8.557 10.202 1.00 0.00 H new ATOM 503 N LEU A 35 10.192 7.399 3.551 1.00 0.00 N ATOM 504 CA LEU A 35 10.943 8.324 2.709 1.00 0.00 C ATOM 505 C LEU A 35 10.275 8.487 1.348 1.00 0.00 C ATOM 506 O LEU A 35 10.260 9.579 0.779 1.00 0.00 O ATOM 507 CB LEU A 35 12.380 7.828 2.529 1.00 0.00 C ATOM 508 CG LEU A 35 12.617 6.869 1.362 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.622 7.625 0.042 1.00 0.00 C ATOM 510 CD2 LEU A 35 13.924 6.113 1.550 1.00 0.00 C ATOM 0 H LEU A 35 10.684 6.532 3.768 1.00 0.00 H new ATOM 0 HA LEU A 35 10.959 9.295 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.029 8.694 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.690 7.333 3.449 1.00 0.00 H new ATOM 0 HG LEU A 35 11.802 6.146 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.792 6.926 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.661 8.120 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.417 8.371 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.076 5.435 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.751 6.822 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.883 5.540 2.476 1.00 0.00 H new ATOM 522 N LEU A 36 9.721 7.395 0.832 1.00 0.00 N ATOM 523 CA LEU A 36 9.048 7.418 -0.461 1.00 0.00 C ATOM 524 C LEU A 36 7.948 8.474 -0.485 1.00 0.00 C ATOM 525 O LEU A 36 7.514 8.910 -1.552 1.00 0.00 O ATOM 526 CB LEU A 36 8.458 6.041 -0.775 1.00 0.00 C ATOM 527 CG LEU A 36 9.370 5.074 -1.529 1.00 0.00 C ATOM 528 CD1 LEU A 36 8.830 3.655 -1.446 1.00 0.00 C ATOM 529 CD2 LEU A 36 9.522 5.506 -2.980 1.00 0.00 C ATOM 0 H LEU A 36 9.725 6.483 1.289 1.00 0.00 H new ATOM 0 HA LEU A 36 9.785 7.673 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.163 5.572 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.549 6.183 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 36 10.354 5.093 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.493 2.981 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.775 3.347 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.834 3.618 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.175 4.806 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.544 5.517 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.957 6.505 -3.019 1.00 0.00 H new ATOM 541 N LEU A 37 7.501 8.882 0.698 1.00 0.00 N ATOM 542 CA LEU A 37 6.453 9.889 0.814 1.00 0.00 C ATOM 543 C LEU A 37 7.024 11.292 0.640 1.00 0.00 C ATOM 544 O LEU A 37 6.704 11.987 -0.324 1.00 0.00 O ATOM 545 CB LEU A 37 5.757 9.774 2.171 1.00 0.00 C ATOM 546 CG LEU A 37 4.947 8.498 2.405 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.626 8.333 3.883 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.670 8.517 1.579 1.00 0.00 C ATOM 0 H LEU A 37 7.848 8.531 1.590 1.00 0.00 H new ATOM 0 HA LEU A 37 5.725 9.713 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.514 9.848 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.092 10.629 2.289 1.00 0.00 H new ATOM 0 HG LEU A 37 5.548 7.646 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.049 7.420 4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.554 8.272 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.045 9.189 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.107 7.601 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.065 9.377 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.922 8.586 0.521 1.00 0.00 H new ATOM 560 N GLU A 38 7.873 11.701 1.577 1.00 0.00 N ATOM 561 CA GLU A 38 8.490 13.022 1.525 1.00 0.00 C ATOM 562 C GLU A 38 9.129 13.270 0.162 1.00 0.00 C ATOM 563 O GLU A 38 9.250 14.413 -0.280 1.00 0.00 O ATOM 564 CB GLU A 38 9.542 13.161 2.627 1.00 0.00 C ATOM 565 CG GLU A 38 10.671 12.149 2.521 1.00 0.00 C ATOM 566 CD GLU A 38 11.841 12.484 3.428 1.00 0.00 C ATOM 567 OE1 GLU A 38 12.297 13.646 3.402 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.299 11.585 4.163 1.00 0.00 O ATOM 0 H GLU A 38 8.149 11.137 2.381 1.00 0.00 H new ATOM 0 HA GLU A 38 7.709 13.767 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.962 14.166 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.057 13.051 3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.292 11.159 2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.018 12.103 1.489 1.00 0.00 H new ATOM 575 N ARG A 39 9.537 12.192 -0.499 1.00 0.00 N ATOM 576 CA ARG A 39 10.165 12.292 -1.812 1.00 0.00 C ATOM 577 C ARG A 39 9.131 12.612 -2.886 1.00 0.00 C ATOM 578 O ARG A 39 9.356 13.467 -3.744 1.00 0.00 O ATOM 579 CB ARG A 39 10.887 10.988 -2.155 1.00 0.00 C ATOM 580 CG ARG A 39 12.331 10.948 -1.683 1.00 0.00 C ATOM 581 CD ARG A 39 13.114 9.843 -2.374 1.00 0.00 C ATOM 582 NE ARG A 39 14.467 9.714 -1.841 1.00 0.00 N ATOM 583 CZ ARG A 39 15.377 8.885 -2.339 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.080 8.114 -3.376 1.00 0.00 N ATOM 585 NH2 ARG A 39 16.588 8.825 -1.799 1.00 0.00 N ATOM 0 H ARG A 39 9.444 11.239 -0.147 1.00 0.00 H new ATOM 0 HA ARG A 39 10.892 13.104 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.345 10.154 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.863 10.843 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.806 11.909 -1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.358 10.794 -0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.586 8.897 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.164 10.049 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 39 14.728 10.292 -1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.150 8.157 -3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.781 7.478 -3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.820 9.416 -1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.286 8.188 -2.182 1.00 0.00 H new ATOM 599 N TYR A 40 7.997 11.920 -2.835 1.00 0.00 N ATOM 600 CA TYR A 40 6.930 12.130 -3.805 1.00 0.00 C ATOM 601 C TYR A 40 5.606 12.421 -3.105 1.00 0.00 C ATOM 602 O TYR A 40 4.752 11.548 -2.946 1.00 0.00 O ATOM 603 CB TYR A 40 6.783 10.901 -4.706 1.00 0.00 C ATOM 604 CG TYR A 40 8.077 10.472 -5.361 1.00 0.00 C ATOM 605 CD1 TYR A 40 8.958 9.618 -4.709 1.00 0.00 C ATOM 606 CD2 TYR A 40 8.419 10.924 -6.629 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.142 9.224 -5.303 1.00 0.00 C ATOM 608 CE2 TYR A 40 9.600 10.534 -7.231 1.00 0.00 C ATOM 609 CZ TYR A 40 10.458 9.685 -6.564 1.00 0.00 C ATOM 610 OH TYR A 40 11.636 9.295 -7.160 1.00 0.00 O ATOM 0 H TYR A 40 7.794 11.209 -2.132 1.00 0.00 H new ATOM 0 HA TYR A 40 7.194 12.993 -4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.392 10.072 -4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.047 11.115 -5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.713 9.256 -3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.751 11.591 -7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.816 8.559 -4.783 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.850 10.892 -8.219 1.00 0.00 H new ATOM 0 HH TYR A 40 11.706 9.707 -8.046 1.00 0.00 H new ATOM 620 N PRO A 41 5.430 13.680 -2.676 1.00 0.00 N ATOM 621 CA PRO A 41 4.213 14.118 -1.986 1.00 0.00 C ATOM 622 C PRO A 41 3.004 14.161 -2.915 1.00 0.00 C ATOM 623 O PRO A 41 1.864 14.037 -2.470 1.00 0.00 O ATOM 624 CB PRO A 41 4.567 15.527 -1.503 1.00 0.00 C ATOM 625 CG PRO A 41 5.622 15.995 -2.444 1.00 0.00 C ATOM 626 CD PRO A 41 6.405 14.772 -2.832 1.00 0.00 C ATOM 0 HA PRO A 41 3.931 13.436 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.697 16.183 -1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.930 15.514 -0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.180 16.469 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.266 16.736 -1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.773 14.839 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.274 14.630 -2.189 1.00 0.00 H new ATOM 634 N GLU A 42 3.263 14.337 -4.208 1.00 0.00 N ATOM 635 CA GLU A 42 2.194 14.397 -5.198 1.00 0.00 C ATOM 636 C GLU A 42 1.670 13.000 -5.517 1.00 0.00 C ATOM 637 O GLU A 42 0.473 12.812 -5.743 1.00 0.00 O ATOM 638 CB GLU A 42 2.693 15.071 -6.479 1.00 0.00 C ATOM 639 CG GLU A 42 3.901 14.386 -7.095 1.00 0.00 C ATOM 640 CD GLU A 42 4.297 14.993 -8.428 1.00 0.00 C ATOM 641 OE1 GLU A 42 3.413 15.148 -9.296 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.492 15.311 -8.604 1.00 0.00 O ATOM 0 H GLU A 42 4.202 14.440 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 42 1.378 14.986 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.884 15.089 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.947 16.108 -6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.743 14.452 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.683 13.327 -7.232 1.00 0.00 H new ATOM 649 N CYS A 43 2.571 12.025 -5.535 1.00 0.00 N ATOM 650 CA CYS A 43 2.200 10.646 -5.827 1.00 0.00 C ATOM 651 C CYS A 43 1.082 10.175 -4.903 1.00 0.00 C ATOM 652 O CYS A 43 0.176 9.458 -5.322 1.00 0.00 O ATOM 653 CB CYS A 43 3.415 9.728 -5.685 1.00 0.00 C ATOM 654 SG CYS A 43 4.369 9.526 -7.209 1.00 0.00 S ATOM 0 H CYS A 43 3.565 12.164 -5.351 1.00 0.00 H new ATOM 0 HA CYS A 43 1.839 10.604 -6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.069 10.126 -4.909 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.079 8.748 -5.347 1.00 0.00 H new ATOM 0 HG CYS A 43 4.246 8.306 -7.640 1.00 0.00 H new ATOM 660 N GLY A 44 1.155 10.584 -3.639 1.00 0.00 N ATOM 661 CA GLY A 44 0.144 10.193 -2.674 1.00 0.00 C ATOM 662 C GLY A 44 0.709 10.026 -1.278 1.00 0.00 C ATOM 663 O GLY A 44 1.924 10.074 -1.083 1.00 0.00 O ATOM 0 H GLY A 44 1.896 11.178 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.646 10.944 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.314 9.256 -2.992 1.00 0.00 H new ATOM 667 N ASN A 45 -0.172 9.830 -0.303 1.00 0.00 N ATOM 668 CA ASN A 45 0.246 9.657 1.083 1.00 0.00 C ATOM 669 C ASN A 45 -0.093 8.256 1.583 1.00 0.00 C ATOM 670 O ASN A 45 0.665 7.656 2.347 1.00 0.00 O ATOM 671 CB ASN A 45 -0.424 10.704 1.975 1.00 0.00 C ATOM 672 CG ASN A 45 -1.933 10.561 2.001 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.448 9.901 3.031 1.00 0.00 O flip ATOM 674 ND2 ASN A 45 -2.629 11.040 1.104 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.181 9.787 -0.447 1.00 0.00 H new ATOM 0 HA ASN A 45 1.327 9.789 1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.036 10.615 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.162 11.701 1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.191 11.540 0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.643 10.937 1.135 1.00 0.00 H new ATOM 681 N LEU A 46 -1.236 7.739 1.147 1.00 0.00 N ATOM 682 CA LEU A 46 -1.678 6.407 1.549 1.00 0.00 C ATOM 683 C LEU A 46 -0.932 5.329 0.769 1.00 0.00 C ATOM 684 O LEU A 46 -1.169 5.135 -0.424 1.00 0.00 O ATOM 685 CB LEU A 46 -3.185 6.260 1.333 1.00 0.00 C ATOM 686 CG LEU A 46 -3.725 4.830 1.325 1.00 0.00 C ATOM 687 CD1 LEU A 46 -4.024 4.366 2.743 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.970 4.735 0.456 1.00 0.00 C ATOM 0 H LEU A 46 -1.874 8.222 0.515 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.457 6.282 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.700 6.817 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.443 6.730 0.384 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.962 4.175 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.408 3.346 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.110 4.396 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.769 5.023 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.341 3.710 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.739 5.401 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.724 5.026 -0.565 1.00 0.00 H new ATOM 700 N LEU A 47 -0.033 4.627 1.452 1.00 0.00 N ATOM 701 CA LEU A 47 0.746 3.565 0.823 1.00 0.00 C ATOM 702 C LEU A 47 0.754 2.311 1.691 1.00 0.00 C ATOM 703 O LEU A 47 1.002 2.377 2.895 1.00 0.00 O ATOM 704 CB LEU A 47 2.178 4.037 0.573 1.00 0.00 C ATOM 705 CG LEU A 47 3.156 3.860 1.737 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.811 2.489 1.679 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.208 4.958 1.721 1.00 0.00 C ATOM 0 H LEU A 47 0.174 4.774 2.440 1.00 0.00 H new ATOM 0 HA LEU A 47 0.280 3.321 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.571 3.500 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.150 5.093 0.306 1.00 0.00 H new ATOM 0 HG LEU A 47 2.598 3.934 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.503 2.381 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.044 1.717 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.356 2.385 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.895 4.816 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.763 4.917 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.722 5.929 1.812 1.00 0.00 H new ATOM 719 N LEU A 48 0.484 1.167 1.071 1.00 0.00 N ATOM 720 CA LEU A 48 0.463 -0.104 1.786 1.00 0.00 C ATOM 721 C LEU A 48 1.782 -0.849 1.609 1.00 0.00 C ATOM 722 O LEU A 48 2.123 -1.275 0.505 1.00 0.00 O ATOM 723 CB LEU A 48 -0.697 -0.970 1.291 1.00 0.00 C ATOM 724 CG LEU A 48 -2.094 -0.541 1.739 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.611 0.591 0.863 1.00 0.00 C ATOM 726 CD2 LEU A 48 -3.052 -1.723 1.705 1.00 0.00 C ATOM 0 H LEU A 48 0.277 1.094 0.075 1.00 0.00 H new ATOM 0 HA LEU A 48 0.325 0.105 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.675 -0.983 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.528 -1.994 1.626 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.030 -0.180 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.607 0.883 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.938 1.445 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.659 0.256 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.042 -1.399 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.111 -2.114 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.690 -2.504 2.374 1.00 0.00 H new ATOM 738 N ARG A 49 2.518 -1.007 2.703 1.00 0.00 N ATOM 739 CA ARG A 49 3.799 -1.702 2.671 1.00 0.00 C ATOM 740 C ARG A 49 3.726 -3.014 3.446 1.00 0.00 C ATOM 741 O ARG A 49 3.015 -3.135 4.444 1.00 0.00 O ATOM 742 CB ARG A 49 4.901 -0.815 3.251 1.00 0.00 C ATOM 743 CG ARG A 49 4.661 -0.413 4.697 1.00 0.00 C ATOM 744 CD ARG A 49 5.957 -0.024 5.390 1.00 0.00 C ATOM 745 NE ARG A 49 6.708 -1.192 5.841 1.00 0.00 N ATOM 746 CZ ARG A 49 6.396 -1.892 6.926 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.354 -1.545 7.666 1.00 0.00 N ATOM 748 NH2 ARG A 49 7.129 -2.943 7.271 1.00 0.00 N ATOM 0 H ARG A 49 2.249 -0.663 3.625 1.00 0.00 H new ATOM 0 HA ARG A 49 4.034 -1.927 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.853 -1.341 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.989 0.085 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.963 0.424 4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.195 -1.240 5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.572 0.561 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.734 0.615 6.244 1.00 0.00 H new ATOM 0 HE ARG A 49 7.516 -1.487 5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.788 -0.738 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.117 -2.085 8.498 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.932 -3.213 6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.889 -3.480 8.104 1.00 0.00 H new ATOM 762 N PRO A 50 4.477 -4.022 2.978 1.00 0.00 N ATOM 763 CA PRO A 50 4.514 -5.343 3.613 1.00 0.00 C ATOM 764 C PRO A 50 5.219 -5.317 4.965 1.00 0.00 C ATOM 765 O PRO A 50 6.329 -4.800 5.087 1.00 0.00 O ATOM 766 CB PRO A 50 5.304 -6.193 2.615 1.00 0.00 C ATOM 767 CG PRO A 50 6.151 -5.218 1.872 1.00 0.00 C ATOM 768 CD PRO A 50 5.349 -3.950 1.793 1.00 0.00 C ATOM 0 HA PRO A 50 3.514 -5.723 3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.914 -6.938 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.639 -6.733 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.097 -5.050 2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.392 -5.590 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.989 -3.068 1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.770 -3.898 0.871 1.00 0.00 H new ATOM 776 N SER A 51 4.566 -5.876 5.979 1.00 0.00 N ATOM 777 CA SER A 51 5.128 -5.914 7.323 1.00 0.00 C ATOM 778 C SER A 51 4.891 -7.273 7.973 1.00 0.00 C ATOM 779 O SER A 51 3.756 -7.646 8.265 1.00 0.00 O ATOM 780 CB SER A 51 4.515 -4.809 8.186 1.00 0.00 C ATOM 781 OG SER A 51 5.173 -4.715 9.438 1.00 0.00 O ATOM 0 H SER A 51 3.646 -6.309 5.894 1.00 0.00 H new ATOM 0 HA SER A 51 6.203 -5.751 7.245 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.583 -3.855 7.663 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.455 -5.011 8.343 1.00 0.00 H new ATOM 0 HG SER A 51 4.764 -4.001 9.970 1.00 0.00 H new ATOM 835 N GLY A 57 0.991 -10.698 6.289 1.00 0.00 N ATOM 836 CA GLY A 57 0.553 -9.502 6.984 1.00 0.00 C ATOM 837 C GLY A 57 1.079 -8.233 6.343 1.00 0.00 C ATOM 838 O GLY A 57 2.256 -8.150 5.990 1.00 0.00 O ATOM 0 HA2 GLY A 57 -0.537 -9.473 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.885 -9.546 8.021 1.00 0.00 H new ATOM 842 N VAL A 58 0.207 -7.242 6.191 1.00 0.00 N ATOM 843 CA VAL A 58 0.590 -5.971 5.587 1.00 0.00 C ATOM 844 C VAL A 58 0.249 -4.802 6.504 1.00 0.00 C ATOM 845 O VAL A 58 -0.662 -4.891 7.327 1.00 0.00 O ATOM 846 CB VAL A 58 -0.104 -5.764 4.228 1.00 0.00 C ATOM 847 CG1 VAL A 58 -1.611 -5.911 4.370 1.00 0.00 C ATOM 848 CG2 VAL A 58 0.256 -4.403 3.649 1.00 0.00 C ATOM 0 H VAL A 58 -0.770 -7.295 6.478 1.00 0.00 H new ATOM 0 HA VAL A 58 1.669 -6.005 5.434 1.00 0.00 H new ATOM 0 HB VAL A 58 0.248 -6.532 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.084 -5.761 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.846 -6.910 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.984 -5.167 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.243 -4.273 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.066 -3.619 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.335 -4.341 3.509 1.00 0.00 H new ATOM 858 N SER A 59 0.985 -3.706 6.355 1.00 0.00 N ATOM 859 CA SER A 59 0.764 -2.519 7.172 1.00 0.00 C ATOM 860 C SER A 59 0.511 -1.296 6.296 1.00 0.00 C ATOM 861 O SER A 59 1.049 -1.185 5.195 1.00 0.00 O ATOM 862 CB SER A 59 1.967 -2.269 8.084 1.00 0.00 C ATOM 863 OG SER A 59 1.774 -1.109 8.876 1.00 0.00 O ATOM 0 H SER A 59 1.740 -3.615 5.675 1.00 0.00 H new ATOM 0 HA SER A 59 -0.119 -2.692 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.123 -3.133 8.730 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.868 -2.156 7.481 1.00 0.00 H new ATOM 0 HG SER A 59 2.556 -0.972 9.451 1.00 0.00 H new ATOM 869 N VAL A 60 -0.312 -0.378 6.794 1.00 0.00 N ATOM 870 CA VAL A 60 -0.636 0.838 6.059 1.00 0.00 C ATOM 871 C VAL A 60 0.063 2.050 6.665 1.00 0.00 C ATOM 872 O VAL A 60 -0.002 2.279 7.874 1.00 0.00 O ATOM 873 CB VAL A 60 -2.155 1.093 6.038 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.490 2.245 5.102 1.00 0.00 C ATOM 875 CG2 VAL A 60 -2.901 -0.169 5.631 1.00 0.00 C ATOM 0 H VAL A 60 -0.766 -0.454 7.704 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.285 0.693 5.037 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.474 1.368 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.567 2.411 5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.985 3.149 5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.158 2.002 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.973 0.029 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.580 -0.477 4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.686 -0.965 6.344 1.00 0.00 H new ATOM 885 N THR A 61 0.733 2.825 5.818 1.00 0.00 N ATOM 886 CA THR A 61 1.445 4.013 6.269 1.00 0.00 C ATOM 887 C THR A 61 0.876 5.273 5.627 1.00 0.00 C ATOM 888 O THR A 61 1.031 5.496 4.426 1.00 0.00 O ATOM 889 CB THR A 61 2.949 3.923 5.948 1.00 0.00 C ATOM 890 OG1 THR A 61 3.482 2.688 6.443 1.00 0.00 O ATOM 891 CG2 THR A 61 3.705 5.090 6.564 1.00 0.00 C ATOM 0 H THR A 61 0.797 2.650 4.815 1.00 0.00 H new ATOM 0 HA THR A 61 1.314 4.068 7.350 1.00 0.00 H new ATOM 0 HB THR A 61 3.070 3.964 4.866 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.438 2.637 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.765 5.004 6.324 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.317 6.027 6.164 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.576 5.076 7.646 1.00 0.00 H new ATOM 899 N THR A 62 0.215 6.096 6.435 1.00 0.00 N ATOM 900 CA THR A 62 -0.379 7.334 5.946 1.00 0.00 C ATOM 901 C THR A 62 0.300 8.552 6.563 1.00 0.00 C ATOM 902 O THR A 62 0.577 8.577 7.763 1.00 0.00 O ATOM 903 CB THR A 62 -1.888 7.393 6.251 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.104 7.332 7.665 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.622 6.246 5.571 1.00 0.00 C ATOM 0 H THR A 62 0.078 5.927 7.432 1.00 0.00 H new ATOM 0 HA THR A 62 -0.233 7.348 4.866 1.00 0.00 H new ATOM 0 HB THR A 62 -2.279 8.334 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.065 7.372 7.851 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.686 6.308 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.479 6.311 4.492 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.228 5.296 5.933 1.00 0.00 H new ATOM 913 N ARG A 63 0.565 9.558 5.738 1.00 0.00 N ATOM 914 CA ARG A 63 1.213 10.779 6.203 1.00 0.00 C ATOM 915 C ARG A 63 0.636 12.002 5.497 1.00 0.00 C ATOM 916 O ARG A 63 0.830 12.186 4.297 1.00 0.00 O ATOM 917 CB ARG A 63 2.722 10.703 5.966 1.00 0.00 C ATOM 918 CG ARG A 63 3.508 11.778 6.698 1.00 0.00 C ATOM 919 CD ARG A 63 3.645 13.038 5.857 1.00 0.00 C ATOM 920 NE ARG A 63 4.790 12.972 4.953 1.00 0.00 N ATOM 921 CZ ARG A 63 5.403 14.044 4.465 1.00 0.00 C ATOM 922 NH1 ARG A 63 4.984 15.259 4.792 1.00 0.00 N ATOM 923 NH2 ARG A 63 6.439 13.902 3.648 1.00 0.00 N ATOM 0 H ARG A 63 0.341 9.553 4.743 1.00 0.00 H new ATOM 0 HA ARG A 63 1.026 10.876 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.082 9.724 6.281 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.918 10.786 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.010 12.019 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.498 11.398 6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.734 13.188 5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.751 13.902 6.513 1.00 0.00 H new ATOM 0 HE ARG A 63 5.138 12.052 4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.188 15.372 5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.457 16.080 4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.765 12.969 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.910 14.726 3.273 1.00 0.00 H new ATOM 937 N GLN A 64 -0.073 12.836 6.253 1.00 0.00 N ATOM 938 CA GLN A 64 -0.678 14.041 5.699 1.00 0.00 C ATOM 939 C GLN A 64 -0.574 15.203 6.682 1.00 0.00 C ATOM 940 O GLN A 64 -0.885 15.058 7.864 1.00 0.00 O ATOM 941 CB GLN A 64 -2.144 13.785 5.345 1.00 0.00 C ATOM 942 CG GLN A 64 -3.009 13.446 6.548 1.00 0.00 C ATOM 943 CD GLN A 64 -3.622 14.675 7.191 1.00 0.00 C ATOM 944 OE1 GLN A 64 -3.057 15.768 7.132 1.00 0.00 O ATOM 945 NE2 GLN A 64 -4.784 14.501 7.810 1.00 0.00 N ATOM 0 H GLN A 64 -0.242 12.699 7.250 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.135 14.307 4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.550 14.669 4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.198 12.967 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.804 12.767 6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.407 12.917 7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.216 13.577 7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.245 15.291 8.262 1.00 0.00 H new ATOM 954 N MET A 65 -0.136 16.355 6.184 1.00 0.00 N ATOM 955 CA MET A 65 0.006 17.542 7.019 1.00 0.00 C ATOM 956 C MET A 65 -1.183 17.689 7.963 1.00 0.00 C ATOM 957 O MET A 65 -2.250 18.157 7.564 1.00 0.00 O ATOM 958 CB MET A 65 0.140 18.791 6.148 1.00 0.00 C ATOM 959 CG MET A 65 0.045 20.091 6.931 1.00 0.00 C ATOM 960 SD MET A 65 1.000 21.424 6.181 1.00 0.00 S ATOM 961 CE MET A 65 2.390 21.518 7.307 1.00 0.00 C ATOM 0 H MET A 65 0.126 16.491 5.208 1.00 0.00 H new ATOM 0 HA MET A 65 0.909 17.428 7.618 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.097 18.759 5.627 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.639 18.778 5.386 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.000 20.393 7.001 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.398 19.924 7.949 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.274 21.855 6.766 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.163 22.223 8.107 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.579 20.533 7.734 1.00 0.00 H new ATOM 971 N HIS A 66 -0.993 17.288 9.216 1.00 0.00 N ATOM 972 CA HIS A 66 -2.052 17.376 10.215 1.00 0.00 C ATOM 973 C HIS A 66 -1.603 18.217 11.408 1.00 0.00 C ATOM 974 O HIS A 66 -0.557 17.960 12.002 1.00 0.00 O ATOM 975 CB HIS A 66 -2.455 15.979 10.685 1.00 0.00 C ATOM 976 CG HIS A 66 -3.624 15.977 11.622 1.00 0.00 C ATOM 977 ND1 HIS A 66 -3.868 16.706 12.736 1.00 0.00 N flip ATOM 978 CD2 HIS A 66 -4.716 15.150 11.461 1.00 0.00 C flip ATOM 979 CE1 HIS A 66 -5.090 16.312 13.222 1.00 0.00 C flip ATOM 980 NE2 HIS A 66 -5.581 15.372 12.435 1.00 0.00 N flip ATOM 0 H HIS A 66 -0.116 16.899 9.563 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.914 17.859 9.755 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.696 15.367 9.816 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.603 15.511 11.178 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.844 14.433 10.664 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.572 16.707 14.104 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.476 14.898 12.558 1.00 0.00 H new ATOM 989 N ASN A 67 -2.402 19.223 11.750 1.00 0.00 N ATOM 990 CA ASN A 67 -2.087 20.102 12.870 1.00 0.00 C ATOM 991 C ASN A 67 -0.791 20.864 12.615 1.00 0.00 C ATOM 992 O ASN A 67 -0.096 21.259 13.550 1.00 0.00 O ATOM 993 CB ASN A 67 -1.970 19.293 14.163 1.00 0.00 C ATOM 994 CG ASN A 67 -3.306 19.113 14.857 1.00 0.00 C ATOM 995 OD1 ASN A 67 -4.157 20.002 14.829 1.00 0.00 O ATOM 996 ND2 ASN A 67 -3.496 17.959 15.486 1.00 0.00 N ATOM 0 H ASN A 67 -3.272 19.449 11.268 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.898 20.823 12.973 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.546 18.314 13.939 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.277 19.793 14.840 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.375 17.782 15.972 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.763 17.250 15.483 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.472 21.070 11.341 1.00 0.00 N ATOM 1004 CA GLY A 68 0.739 21.785 10.985 1.00 0.00 C ATOM 1005 C GLY A 68 1.992 21.062 11.435 1.00 0.00 C ATOM 1006 O GLY A 68 3.008 21.691 11.736 1.00 0.00 O ATOM 0 H GLY A 68 -1.031 20.754 10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.771 21.923 9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.716 22.778 11.433 1.00 0.00 H new ATOM 1010 N THR A 69 1.925 19.735 11.482 1.00 0.00 N ATOM 1011 CA THR A 69 3.061 18.926 11.902 1.00 0.00 C ATOM 1012 C THR A 69 3.169 17.655 11.068 1.00 0.00 C ATOM 1013 O THR A 69 2.218 17.262 10.389 1.00 0.00 O ATOM 1014 CB THR A 69 2.960 18.543 13.390 1.00 0.00 C ATOM 1015 OG1 THR A 69 4.199 17.981 13.837 1.00 0.00 O ATOM 1016 CG2 THR A 69 1.834 17.544 13.616 1.00 0.00 C ATOM 0 H THR A 69 1.094 19.198 11.234 1.00 0.00 H new ATOM 0 HA THR A 69 3.953 19.533 11.751 1.00 0.00 H new ATOM 0 HB THR A 69 2.744 19.446 13.961 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.127 17.742 14.785 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.782 17.288 14.674 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.888 17.985 13.302 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.025 16.643 13.034 1.00 0.00 H new ATOM 1024 N HIS A 70 4.332 17.013 11.122 1.00 0.00 N ATOM 1025 CA HIS A 70 4.563 15.784 10.371 1.00 0.00 C ATOM 1026 C HIS A 70 4.231 14.559 11.218 1.00 0.00 C ATOM 1027 O HIS A 70 5.017 14.150 12.073 1.00 0.00 O ATOM 1028 CB HIS A 70 6.016 15.714 9.901 1.00 0.00 C ATOM 1029 CG HIS A 70 7.011 15.763 11.020 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.464 16.942 11.574 1.00 0.00 N ATOM 1031 CD2 HIS A 70 7.639 14.769 11.690 1.00 0.00 C ATOM 1032 CE1 HIS A 70 8.328 16.671 12.535 1.00 0.00 C ATOM 1033 NE2 HIS A 70 8.452 15.359 12.626 1.00 0.00 N ATOM 0 H HIS A 70 5.129 17.323 11.678 1.00 0.00 H new ATOM 0 HA HIS A 70 3.907 15.791 9.500 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.162 14.794 9.336 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.209 16.541 9.218 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.522 13.709 11.520 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.845 17.398 13.143 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.054 14.865 13.285 1.00 0.00 H new ATOM 1042 N VAL A 71 3.059 13.978 10.977 1.00 0.00 N ATOM 1043 CA VAL A 71 2.622 12.801 11.717 1.00 0.00 C ATOM 1044 C VAL A 71 2.685 11.550 10.847 1.00 0.00 C ATOM 1045 O VAL A 71 2.285 11.570 9.683 1.00 0.00 O ATOM 1046 CB VAL A 71 1.186 12.972 12.248 1.00 0.00 C ATOM 1047 CG1 VAL A 71 1.189 13.755 13.551 1.00 0.00 C ATOM 1048 CG2 VAL A 71 0.312 13.655 11.207 1.00 0.00 C ATOM 0 H VAL A 71 2.395 14.304 10.274 1.00 0.00 H new ATOM 0 HA VAL A 71 3.302 12.688 12.561 1.00 0.00 H new ATOM 0 HB VAL A 71 0.770 11.984 12.447 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.166 13.866 13.911 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.780 13.221 14.295 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.623 14.740 13.382 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.699 13.768 11.598 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.723 14.637 10.975 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.285 13.050 10.301 1.00 0.00 H new ATOM 1058 N VAL A 72 3.191 10.462 11.420 1.00 0.00 N ATOM 1059 CA VAL A 72 3.306 9.201 10.698 1.00 0.00 C ATOM 1060 C VAL A 72 2.812 8.035 11.547 1.00 0.00 C ATOM 1061 O VAL A 72 3.479 7.618 12.493 1.00 0.00 O ATOM 1062 CB VAL A 72 4.759 8.930 10.268 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.849 7.638 9.470 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.304 10.101 9.465 1.00 0.00 C ATOM 0 H VAL A 72 3.528 10.429 12.382 1.00 0.00 H new ATOM 0 HA VAL A 72 2.683 9.288 9.808 1.00 0.00 H new ATOM 0 HB VAL A 72 5.369 8.818 11.164 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.884 7.464 9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.502 6.807 10.083 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.226 7.717 8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.332 9.892 9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.693 10.247 8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.278 11.004 10.075 1.00 0.00 H new ATOM 1074 N ARG A 73 1.640 7.512 11.202 1.00 0.00 N ATOM 1075 CA ARG A 73 1.056 6.394 11.932 1.00 0.00 C ATOM 1076 C ARG A 73 1.092 5.119 11.095 1.00 0.00 C ATOM 1077 O ARG A 73 1.519 5.134 9.939 1.00 0.00 O ATOM 1078 CB ARG A 73 -0.385 6.715 12.332 1.00 0.00 C ATOM 1079 CG ARG A 73 -0.852 5.975 13.574 1.00 0.00 C ATOM 1080 CD ARG A 73 -1.978 6.717 14.275 1.00 0.00 C ATOM 1081 NE ARG A 73 -1.475 7.740 15.188 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.245 8.404 16.045 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.545 8.152 16.105 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -1.713 9.321 16.843 1.00 0.00 N ATOM 0 H ARG A 73 1.076 7.845 10.420 1.00 0.00 H new ATOM 0 HA ARG A 73 1.648 6.232 12.833 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.475 7.788 12.503 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.047 6.468 11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.190 4.976 13.298 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.015 5.850 14.261 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.624 7.182 13.530 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.591 6.006 14.829 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.479 7.957 15.167 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.957 7.447 15.493 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.134 8.663 16.763 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.713 9.517 16.799 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.304 9.830 17.500 1.00 0.00 H new ATOM 1098 N HIS A 74 0.641 4.017 11.685 1.00 0.00 N ATOM 1099 CA HIS A 74 0.621 2.733 10.993 1.00 0.00 C ATOM 1100 C HIS A 74 -0.594 1.909 11.411 1.00 0.00 C ATOM 1101 O HIS A 74 -0.905 1.804 12.598 1.00 0.00 O ATOM 1102 CB HIS A 74 1.904 1.954 11.282 1.00 0.00 C ATOM 1103 CG HIS A 74 2.147 1.721 12.741 1.00 0.00 C ATOM 1104 ND1 HIS A 74 2.266 0.464 13.293 1.00 0.00 N ATOM 1105 CD2 HIS A 74 2.297 2.595 13.764 1.00 0.00 C ATOM 1106 CE1 HIS A 74 2.477 0.574 14.593 1.00 0.00 C ATOM 1107 NE2 HIS A 74 2.499 1.857 14.904 1.00 0.00 N ATOM 0 H HIS A 74 0.285 3.987 12.640 1.00 0.00 H new ATOM 0 HA HIS A 74 0.556 2.926 9.922 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.858 0.992 10.772 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.751 2.497 10.863 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.264 3.672 13.696 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.609 -0.246 15.283 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.643 2.238 15.839 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.276 1.329 10.430 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.458 0.519 10.696 1.00 0.00 C ATOM 1118 C TYR A 75 -2.173 -0.960 10.444 1.00 0.00 C ATOM 1119 O TYR A 75 -1.514 -1.320 9.468 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.626 0.980 9.823 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.036 2.413 10.069 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -3.205 3.466 9.708 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -5.256 2.716 10.661 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -3.575 4.778 9.931 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -5.636 4.024 10.887 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.792 5.052 10.521 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.165 6.357 10.745 1.00 0.00 O ATOM 0 H TYR A 75 -1.030 1.405 9.443 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.725 0.646 11.745 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.353 0.864 8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.482 0.330 10.003 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.253 3.255 9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.919 1.914 10.950 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.916 5.584 9.645 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.588 4.241 11.348 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.050 6.377 11.166 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.672 -1.811 11.333 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.475 -3.250 11.209 1.00 0.00 C ATOM 1139 C LYS A 76 -3.643 -3.898 10.472 1.00 0.00 C ATOM 1140 O LYS A 76 -4.704 -3.294 10.317 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.314 -3.885 12.591 1.00 0.00 C ATOM 1142 CG LYS A 76 -0.876 -3.928 13.079 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.757 -4.672 14.398 1.00 0.00 C ATOM 1144 CE LYS A 76 0.683 -5.073 14.683 1.00 0.00 C ATOM 1145 NZ LYS A 76 0.801 -5.855 15.946 1.00 0.00 N ATOM 0 H LYS A 76 -3.216 -1.529 12.148 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.566 -3.418 10.631 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.916 -3.328 13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.709 -4.900 12.563 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.251 -4.413 12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.501 -2.912 13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.128 -4.042 15.207 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.386 -5.562 14.373 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.067 -5.665 13.852 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.303 -4.179 14.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.797 -6.109 16.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.459 -5.281 16.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.230 -6.721 15.873 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.441 -5.133 10.021 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.478 -5.864 9.304 1.00 0.00 C ATOM 1161 C VAL A 77 -4.620 -7.284 9.839 1.00 0.00 C ATOM 1162 O VAL A 77 -3.675 -8.073 9.798 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.179 -5.924 7.793 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.220 -6.772 7.077 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.125 -4.523 7.205 1.00 0.00 C ATOM 0 H VAL A 77 -2.568 -5.647 10.140 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.412 -5.325 9.462 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.204 -6.390 7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.993 -6.803 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.205 -7.784 7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.208 -6.337 7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.913 -4.584 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.084 -4.028 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.339 -3.951 7.699 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.808 -7.605 10.341 1.00 0.00 N ATOM 1176 CA LYS A 78 -6.077 -8.932 10.884 1.00 0.00 C ATOM 1177 C LYS A 78 -6.331 -9.936 9.765 1.00 0.00 C ATOM 1178 O LYS A 78 -6.917 -9.599 8.736 1.00 0.00 O ATOM 1179 CB LYS A 78 -7.282 -8.884 11.825 1.00 0.00 C ATOM 1180 CG LYS A 78 -7.310 -10.020 12.835 1.00 0.00 C ATOM 1181 CD LYS A 78 -8.382 -9.802 13.889 1.00 0.00 C ATOM 1182 CE LYS A 78 -8.585 -11.045 14.742 1.00 0.00 C ATOM 1183 NZ LYS A 78 -7.423 -11.298 15.640 1.00 0.00 N ATOM 0 H LYS A 78 -6.600 -6.964 10.383 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.199 -9.254 11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.278 -7.934 12.359 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.197 -8.913 11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.492 -10.963 12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.336 -10.104 13.317 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.102 -8.964 14.527 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.321 -9.534 13.405 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.489 -10.931 15.341 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.739 -11.908 14.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.600 -12.153 16.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.565 -11.432 15.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.292 -10.485 16.275 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.888 -11.172 9.974 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.069 -12.225 8.982 1.00 0.00 C ATOM 1199 C ARG A 79 -7.151 -13.208 9.423 1.00 0.00 C ATOM 1200 O ARG A 79 -6.894 -14.111 10.218 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.753 -12.969 8.752 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.896 -14.204 7.878 1.00 0.00 C ATOM 1203 CD ARG A 79 -4.709 -13.870 6.406 1.00 0.00 C ATOM 1204 NE ARG A 79 -3.307 -13.646 6.068 1.00 0.00 N ATOM 1205 CZ ARG A 79 -2.880 -13.381 4.838 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -3.744 -13.308 3.835 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -1.588 -13.188 4.611 1.00 0.00 N ATOM 0 H ARG A 79 -5.402 -11.468 10.820 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.384 -11.760 8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.037 -12.289 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.338 -13.263 9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.161 -14.951 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.881 -14.646 8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.103 -14.684 5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.288 -12.979 6.160 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.617 -13.696 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.739 -13.455 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.414 -13.104 2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.921 -13.243 5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.261 -12.985 3.667 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.359 -13.023 8.902 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.479 -13.892 9.243 1.00 0.00 C ATOM 1223 C GLU A 80 -10.083 -14.519 7.990 1.00 0.00 C ATOM 1224 O GLU A 80 -11.158 -14.123 7.542 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.550 -13.107 10.003 1.00 0.00 C ATOM 1226 CG GLU A 80 -10.118 -12.677 11.394 1.00 0.00 C ATOM 1227 CD GLU A 80 -10.314 -13.767 12.428 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -9.585 -14.780 12.370 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.198 -13.609 13.297 1.00 0.00 O ATOM 0 H GLU A 80 -8.587 -12.279 8.242 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.104 -14.691 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.818 -12.222 9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.448 -13.719 10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.067 -12.388 11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.685 -11.794 11.690 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.383 -15.500 7.428 1.00 0.00 N ATOM 1237 CA GLY A 81 -9.866 -16.165 6.232 1.00 0.00 C ATOM 1238 C GLY A 81 -9.632 -15.345 4.979 1.00 0.00 C ATOM 1239 O GLY A 81 -8.663 -14.592 4.875 1.00 0.00 O ATOM 0 H GLY A 81 -8.490 -15.846 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.368 -17.129 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.932 -16.366 6.337 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.534 -15.487 3.997 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.443 -14.762 2.726 1.00 0.00 C ATOM 1245 C PRO A 82 -10.711 -13.270 2.889 1.00 0.00 C ATOM 1246 O PRO A 82 -10.476 -12.483 1.973 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.533 -15.410 1.869 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.515 -15.950 2.849 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.715 -16.366 4.052 1.00 0.00 C ATOM 0 HA PRO A 82 -9.445 -14.826 2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.998 -14.683 1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.124 -16.202 1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.256 -15.196 3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.059 -16.797 2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.277 -16.227 4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.435 -17.418 4.004 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.203 -12.887 4.062 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.502 -11.488 4.347 1.00 0.00 C ATOM 1259 C LYS A 83 -10.386 -10.851 5.168 1.00 0.00 C ATOM 1260 O LYS A 83 -9.688 -11.531 5.921 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.831 -11.372 5.096 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.885 -12.196 6.370 1.00 0.00 C ATOM 1263 CD LYS A 83 -13.912 -11.646 7.347 1.00 0.00 C ATOM 1264 CE LYS A 83 -14.204 -12.634 8.464 1.00 0.00 C ATOM 1265 NZ LYS A 83 -15.456 -12.293 9.195 1.00 0.00 N ATOM 0 H LYS A 83 -11.403 -13.526 4.831 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.580 -10.957 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.009 -10.325 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.639 -11.686 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.131 -13.229 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.902 -12.205 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.546 -10.712 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.834 -11.414 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.289 -13.638 8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.368 -12.649 9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.619 -12.991 9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.366 -11.346 9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -16.258 -12.304 8.533 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.224 -9.540 5.020 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.191 -8.810 5.747 1.00 0.00 C ATOM 1281 C TYR A 84 -9.811 -7.766 6.671 1.00 0.00 C ATOM 1282 O TYR A 84 -10.143 -6.660 6.243 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.229 -8.136 4.770 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.518 -9.106 3.853 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.118 -10.357 4.308 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.246 -8.772 2.532 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.468 -11.247 3.475 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.597 -9.656 1.691 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.211 -10.892 2.167 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.564 -11.774 1.332 1.00 0.00 O ATOM 0 H TYR A 84 -10.795 -8.961 4.403 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.637 -9.525 6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.783 -7.417 4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.486 -7.572 5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.319 -10.638 5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.547 -7.805 2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.163 -12.215 3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.393 -9.381 0.667 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.462 -11.370 0.445 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.964 -8.125 7.942 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.542 -7.220 8.928 1.00 0.00 C ATOM 1302 C VAL A 85 -9.557 -6.120 9.308 1.00 0.00 C ATOM 1303 O VAL A 85 -8.416 -6.397 9.681 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.969 -7.974 10.201 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -11.660 -7.032 11.174 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -11.873 -9.146 9.847 1.00 0.00 C ATOM 0 H VAL A 85 -9.696 -9.037 8.313 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.423 -6.772 8.468 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.076 -8.367 10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.954 -7.583 12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.976 -6.230 11.451 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.546 -6.607 10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.166 -9.668 10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.764 -8.778 9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.338 -9.833 9.191 1.00 0.00 H new ATOM 1316 N ILE A 86 -10.005 -4.873 9.211 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.163 -3.732 9.547 1.00 0.00 C ATOM 1318 C ILE A 86 -8.972 -3.614 11.056 1.00 0.00 C ATOM 1319 O ILE A 86 -9.765 -4.141 11.834 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.759 -2.416 9.012 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -10.096 -2.550 7.526 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.790 -1.265 9.239 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.939 -1.414 6.992 1.00 0.00 C ATOM 0 H ILE A 86 -10.946 -4.627 8.903 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.196 -3.903 9.073 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.679 -2.204 9.556 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.169 -2.603 6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.624 -3.490 7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.225 -0.342 8.856 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.595 -1.159 10.306 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.855 -1.469 8.718 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.139 -1.576 5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.882 -1.373 7.537 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.405 -0.473 7.121 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.916 -2.918 11.460 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.621 -2.727 12.875 1.00 0.00 C ATOM 1337 C ASP A 87 -8.349 -1.503 13.421 1.00 0.00 C ATOM 1338 O ASP A 87 -7.777 -0.712 14.172 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.114 -2.579 13.089 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.668 -3.094 14.443 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -5.917 -4.282 14.737 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.070 -2.310 15.210 1.00 0.00 O ATOM 0 H ASP A 87 -7.249 -2.476 10.827 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.971 -3.606 13.416 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.584 -3.120 12.305 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.838 -1.529 12.994 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.613 -1.352 13.039 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.418 -0.223 13.490 1.00 0.00 C ATOM 1349 C VAL A 88 -11.391 -0.646 14.584 1.00 0.00 C ATOM 1350 O VAL A 88 -11.554 -1.834 14.858 1.00 0.00 O ATOM 1351 CB VAL A 88 -11.211 0.402 12.327 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -10.268 1.063 11.332 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -12.068 -0.652 11.641 1.00 0.00 C ATOM 0 H VAL A 88 -10.102 -1.997 12.418 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.727 0.520 13.888 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.871 1.169 12.731 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.846 1.499 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.700 1.846 11.834 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.581 0.318 10.931 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.622 -0.194 10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.428 -1.443 11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.769 -1.076 12.360 1.00 0.00 H new ATOM 1363 N GLU A 89 -12.036 0.336 15.207 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.993 0.064 16.273 1.00 0.00 C ATOM 1365 C GLU A 89 -13.817 -1.181 15.960 1.00 0.00 C ATOM 1366 O GLU A 89 -13.985 -2.055 16.810 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.921 1.265 16.473 1.00 0.00 C ATOM 1368 CG GLU A 89 -13.190 2.540 16.858 1.00 0.00 C ATOM 1369 CD GLU A 89 -14.093 3.544 17.550 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -14.869 4.227 16.848 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -14.023 3.646 18.793 1.00 0.00 O ATOM 0 H GLU A 89 -11.913 1.325 14.992 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.434 -0.113 17.192 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.479 1.440 15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.650 1.026 17.247 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.357 2.292 17.516 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.765 2.995 15.963 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.327 -1.254 14.736 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.135 -2.392 14.311 1.00 0.00 C ATOM 1380 C GLN A 90 -14.416 -3.197 13.233 1.00 0.00 C ATOM 1381 O GLN A 90 -13.763 -2.649 12.345 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.491 -1.915 13.788 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.541 -1.760 14.875 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.730 -0.934 14.425 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -19.704 -1.465 13.891 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.657 0.375 14.639 1.00 0.00 N ATOM 0 H GLN A 90 -14.196 -0.539 14.020 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.293 -3.036 15.176 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.360 -0.959 13.282 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.853 -2.623 13.043 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.885 -2.746 15.185 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -17.088 -1.291 15.748 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.831 0.774 15.085 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.427 0.982 14.357 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.536 -4.531 13.312 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.905 -5.441 12.352 1.00 0.00 C ATOM 1397 C PRO A 91 -14.549 -5.365 10.972 1.00 0.00 C ATOM 1398 O PRO A 91 -15.474 -6.118 10.666 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.128 -6.823 12.973 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.340 -6.663 13.824 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.299 -5.253 14.344 1.00 0.00 C ATOM 0 HA PRO A 91 -12.855 -5.197 12.189 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.280 -7.582 12.206 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.267 -7.135 13.564 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.248 -6.840 13.247 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.339 -7.381 14.644 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.300 -4.840 14.466 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.811 -5.198 15.317 1.00 0.00 H new ATOM 1409 N PHE A 92 -14.054 -4.454 10.142 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.583 -4.280 8.794 1.00 0.00 C ATOM 1411 C PHE A 92 -14.034 -5.349 7.853 1.00 0.00 C ATOM 1412 O PHE A 92 -12.843 -5.365 7.542 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.235 -2.888 8.262 1.00 0.00 C ATOM 1414 CG PHE A 92 -14.415 -2.752 6.777 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.643 -2.395 6.244 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -13.355 -2.982 5.913 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.812 -2.268 4.878 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -13.518 -2.856 4.547 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.748 -2.500 4.028 1.00 0.00 C ATOM 0 H PHE A 92 -13.287 -3.824 10.379 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.667 -4.383 8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.859 -2.149 8.765 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.200 -2.658 8.517 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.478 -2.214 6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.392 -3.263 6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.774 -1.988 4.476 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.684 -3.036 3.885 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.877 -2.403 2.960 1.00 0.00 H new ATOM 1429 N SER A 93 -14.911 -6.241 7.404 1.00 0.00 N ATOM 1430 CA SER A 93 -14.516 -7.315 6.502 1.00 0.00 C ATOM 1431 C SER A 93 -14.568 -6.853 5.049 1.00 0.00 C ATOM 1432 O SER A 93 -15.369 -5.991 4.690 1.00 0.00 O ATOM 1433 CB SER A 93 -15.423 -8.532 6.695 1.00 0.00 C ATOM 1434 OG SER A 93 -15.204 -9.498 5.681 1.00 0.00 O ATOM 0 H SER A 93 -15.901 -6.241 7.651 1.00 0.00 H new ATOM 0 HA SER A 93 -13.489 -7.595 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.236 -8.977 7.672 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.467 -8.217 6.682 1.00 0.00 H new ATOM 0 HG SER A 93 -15.964 -10.116 5.648 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.708 -7.433 4.219 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.654 -7.080 2.805 1.00 0.00 C ATOM 1442 C CYS A 94 -13.333 -8.303 1.951 1.00 0.00 C ATOM 1443 O CYS A 94 -12.872 -9.326 2.461 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.608 -5.989 2.570 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.968 -6.388 3.217 1.00 0.00 S ATOM 0 H CYS A 94 -13.039 -8.149 4.501 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.634 -6.702 2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.529 -5.801 1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.954 -5.064 3.031 1.00 0.00 H new ATOM 0 HG CYS A 94 -11.003 -6.390 4.517 1.00 0.00 H new ATOM 1451 N THR A 95 -13.580 -8.192 0.650 1.00 0.00 N ATOM 1452 CA THR A 95 -13.320 -9.289 -0.273 1.00 0.00 C ATOM 1453 C THR A 95 -11.824 -9.468 -0.507 1.00 0.00 C ATOM 1454 O THR A 95 -11.326 -10.592 -0.571 1.00 0.00 O ATOM 1455 CB THR A 95 -14.015 -9.058 -1.629 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.574 -7.822 -2.201 1.00 0.00 O ATOM 1457 CG2 THR A 95 -15.526 -9.037 -1.464 1.00 0.00 C ATOM 0 H THR A 95 -13.960 -7.353 0.212 1.00 0.00 H new ATOM 0 HA THR A 95 -13.724 -10.191 0.186 1.00 0.00 H new ATOM 0 HB THR A 95 -13.750 -9.880 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.019 -7.683 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.996 -8.873 -2.434 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.861 -9.991 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.807 -8.233 -0.784 1.00 0.00 H new ATOM 1465 N SER A 96 -11.111 -8.353 -0.632 1.00 0.00 N ATOM 1466 CA SER A 96 -9.671 -8.388 -0.861 1.00 0.00 C ATOM 1467 C SER A 96 -9.022 -7.073 -0.439 1.00 0.00 C ATOM 1468 O SER A 96 -9.708 -6.123 -0.057 1.00 0.00 O ATOM 1469 CB SER A 96 -9.376 -8.665 -2.337 1.00 0.00 C ATOM 1470 OG SER A 96 -9.883 -9.928 -2.730 1.00 0.00 O ATOM 0 H SER A 96 -11.507 -7.414 -0.579 1.00 0.00 H new ATOM 0 HA SER A 96 -9.250 -9.191 -0.256 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.821 -7.883 -2.953 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.300 -8.632 -2.508 1.00 0.00 H new ATOM 0 HG SER A 96 -10.132 -10.443 -1.934 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.696 -7.026 -0.509 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.952 -5.829 -0.135 1.00 0.00 C ATOM 1478 C LEU A 97 -7.534 -4.592 -0.812 1.00 0.00 C ATOM 1479 O LEU A 97 -7.735 -3.559 -0.173 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.478 -5.983 -0.509 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.608 -6.752 0.486 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.227 -7.007 -0.096 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.505 -5.992 1.801 1.00 0.00 C ATOM 0 H LEU A 97 -7.114 -7.803 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.035 -5.702 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.420 -6.485 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.052 -4.988 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.078 -7.716 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.623 -7.555 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.320 -7.593 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.746 -6.055 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.882 -6.553 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.058 -5.014 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.500 -5.864 2.226 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.804 -4.705 -2.107 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.367 -3.597 -2.871 1.00 0.00 C ATOM 1497 C ASP A 98 -9.358 -2.802 -2.026 1.00 0.00 C ATOM 1498 O ASP A 98 -9.185 -1.604 -1.812 1.00 0.00 O ATOM 1499 CB ASP A 98 -9.056 -4.118 -4.133 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.336 -3.016 -5.136 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -8.371 -2.506 -5.743 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -10.520 -2.663 -5.315 1.00 0.00 O ATOM 0 H ASP A 98 -7.642 -5.553 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.551 -2.935 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.429 -4.878 -4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.993 -4.602 -3.858 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.397 -3.480 -1.549 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.415 -2.838 -0.727 1.00 0.00 C ATOM 1509 C ALA A 99 -10.780 -2.001 0.379 1.00 0.00 C ATOM 1510 O ALA A 99 -11.051 -0.806 0.500 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.349 -3.881 -0.132 1.00 0.00 C ATOM 0 H ALA A 99 -10.556 -4.473 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.994 -2.170 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.104 -3.387 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.837 -4.433 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.776 -4.572 0.487 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.936 -2.637 1.184 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.262 -1.950 2.281 1.00 0.00 C ATOM 1519 C VAL A 100 -8.831 -0.548 1.868 1.00 0.00 C ATOM 1520 O VAL A 100 -8.995 0.410 2.624 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.027 -2.736 2.759 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.328 -1.996 3.890 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.423 -4.139 3.195 1.00 0.00 C ATOM 0 H VAL A 100 -9.702 -3.626 1.098 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.978 -1.880 3.100 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.329 -2.822 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.458 -2.566 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.009 -1.014 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.016 -1.876 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.538 -4.680 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.141 -4.077 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.875 -4.667 2.355 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.280 -0.433 0.665 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.825 0.853 0.151 1.00 0.00 C ATOM 1535 C VAL A 101 -8.986 1.834 0.023 1.00 0.00 C ATOM 1536 O VAL A 101 -8.836 3.025 0.288 1.00 0.00 O ATOM 1537 CB VAL A 101 -7.144 0.700 -1.222 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.778 2.061 -1.791 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.914 -0.188 -1.109 1.00 0.00 C ATOM 0 H VAL A 101 -8.138 -1.216 0.027 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.100 1.242 0.866 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.847 0.224 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.298 1.933 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.681 2.661 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.093 2.567 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.445 -0.286 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.206 0.258 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.209 -1.173 -0.748 1.00 0.00 H new ATOM 1549 N ASN A 102 -10.143 1.323 -0.385 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.330 2.155 -0.549 1.00 0.00 C ATOM 1551 C ASN A 102 -11.957 2.480 0.804 1.00 0.00 C ATOM 1552 O ASN A 102 -12.232 3.641 1.109 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.354 1.449 -1.441 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.881 1.324 -2.876 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -11.680 2.324 -3.565 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.699 0.090 -3.334 1.00 0.00 N ATOM 0 H ASN A 102 -10.284 0.338 -0.608 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.027 3.088 -1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.557 0.456 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.294 2.001 -1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.380 -0.057 -4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.878 -0.711 -2.728 1.00 0.00 H new ATOM 1563 N TYR A 103 -12.179 1.448 1.611 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.774 1.622 2.929 1.00 0.00 C ATOM 1565 C TYR A 103 -12.223 2.870 3.615 1.00 0.00 C ATOM 1566 O TYR A 103 -12.979 3.743 4.041 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.511 0.392 3.799 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.864 0.593 5.256 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -14.137 0.300 5.729 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -11.925 1.075 6.159 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -14.464 0.482 7.058 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -12.242 1.259 7.490 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.513 0.961 7.935 1.00 0.00 C ATOM 1574 OH TYR A 103 -13.834 1.145 9.261 1.00 0.00 O ATOM 0 H TYR A 103 -11.955 0.481 1.374 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.849 1.744 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.084 -0.448 3.408 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.458 0.122 3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.884 -0.077 5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -10.929 1.310 5.814 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.459 0.251 7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -11.499 1.634 8.179 1.00 0.00 H new ATOM 0 HH TYR A 103 -14.521 0.498 9.524 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.900 2.946 3.716 1.00 0.00 N ATOM 1585 CA PHE A 104 -10.246 4.086 4.349 1.00 0.00 C ATOM 1586 C PHE A 104 -10.618 5.386 3.644 1.00 0.00 C ATOM 1587 O PHE A 104 -11.137 6.315 4.263 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.728 3.900 4.335 1.00 0.00 C ATOM 1589 CG PHE A 104 -8.237 2.893 5.334 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -8.430 3.093 6.692 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.583 1.745 4.917 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.980 2.168 7.614 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -7.132 0.816 5.835 1.00 0.00 C ATOM 1594 CZ PHE A 104 -7.329 1.027 7.185 1.00 0.00 C ATOM 0 H PHE A 104 -10.260 2.232 3.368 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.589 4.144 5.382 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.417 3.591 3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.251 4.860 4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.938 3.983 7.033 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.424 1.574 3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.137 2.336 8.669 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.625 -0.076 5.496 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.975 0.303 7.904 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.349 5.447 2.344 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.655 6.633 1.553 1.00 0.00 C ATOM 1606 C VAL A 105 -11.979 7.254 1.984 1.00 0.00 C ATOM 1607 O VAL A 105 -12.037 8.430 2.343 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.720 6.304 0.050 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.073 7.546 -0.754 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.401 5.711 -0.423 1.00 0.00 C ATOM 0 H VAL A 105 -9.919 4.688 1.816 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.849 7.346 1.726 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.503 5.563 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.114 7.294 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.044 7.924 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.314 8.312 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.465 5.484 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.598 6.428 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.194 4.795 0.131 1.00 0.00 H new ATOM 1620 N SER A 106 -13.041 6.455 1.947 1.00 0.00 N ATOM 1621 CA SER A 106 -14.367 6.927 2.331 1.00 0.00 C ATOM 1622 C SER A 106 -14.421 7.237 3.824 1.00 0.00 C ATOM 1623 O SER A 106 -14.888 8.300 4.232 1.00 0.00 O ATOM 1624 CB SER A 106 -15.426 5.881 1.976 1.00 0.00 C ATOM 1625 OG SER A 106 -16.711 6.470 1.881 1.00 0.00 O ATOM 0 H SER A 106 -13.009 5.478 1.655 1.00 0.00 H new ATOM 0 HA SER A 106 -14.574 7.844 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.169 5.406 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.436 5.098 2.734 1.00 0.00 H new ATOM 0 HG SER A 106 -17.370 5.782 1.652 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.941 6.299 4.635 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.935 6.470 6.083 1.00 0.00 C ATOM 1633 C HIS A 107 -13.515 7.887 6.460 1.00 0.00 C ATOM 1634 O HIS A 107 -14.297 8.647 7.033 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.993 5.457 6.733 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.616 5.806 8.140 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -11.709 6.688 8.621 1.00 0.00 N flip ATOM 1638 CD2 HIS A 107 -13.199 5.219 9.243 1.00 0.00 C flip ATOM 1639 CE1 HIS A 107 -11.760 6.618 9.991 1.00 0.00 C flip ATOM 1640 NE2 HIS A 107 -12.667 5.724 10.342 1.00 0.00 N flip ATOM 0 H HIS A 107 -13.551 5.413 4.313 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.948 6.300 6.449 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -13.467 4.476 6.726 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -12.087 5.378 6.132 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -13.971 4.464 9.213 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.156 7.200 10.672 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.914 5.467 11.298 1.00 0.00 H new ATOM 1649 N THR A 108 -12.275 8.239 6.135 1.00 0.00 N ATOM 1650 CA THR A 108 -11.750 9.564 6.441 1.00 0.00 C ATOM 1651 C THR A 108 -12.579 10.653 5.769 1.00 0.00 C ATOM 1652 O THR A 108 -13.000 10.507 4.621 1.00 0.00 O ATOM 1653 CB THR A 108 -10.282 9.704 5.996 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.848 11.059 6.158 1.00 0.00 O ATOM 1655 CG2 THR A 108 -10.114 9.282 4.544 1.00 0.00 C ATOM 0 H THR A 108 -11.615 7.624 5.659 1.00 0.00 H new ATOM 0 HA THR A 108 -11.807 9.684 7.523 1.00 0.00 H new ATOM 0 HB THR A 108 -9.672 9.051 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.913 11.139 5.875 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.069 9.390 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.417 8.241 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.735 9.913 3.908 1.00 0.00 H new ATOM 1663 N LYS A 109 -12.809 11.744 6.490 1.00 0.00 N ATOM 1664 CA LYS A 109 -13.586 12.859 5.963 1.00 0.00 C ATOM 1665 C LYS A 109 -13.079 13.274 4.587 1.00 0.00 C ATOM 1666 O LYS A 109 -13.748 13.059 3.575 1.00 0.00 O ATOM 1667 CB LYS A 109 -13.523 14.050 6.923 1.00 0.00 C ATOM 1668 CG LYS A 109 -14.725 14.973 6.828 1.00 0.00 C ATOM 1669 CD LYS A 109 -14.488 16.099 5.835 1.00 0.00 C ATOM 1670 CE LYS A 109 -14.946 15.715 4.436 1.00 0.00 C ATOM 1671 NZ LYS A 109 -15.419 16.897 3.664 1.00 0.00 N ATOM 0 H LYS A 109 -12.468 11.880 7.442 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.622 12.533 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.441 13.678 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.619 14.623 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.602 14.400 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.941 15.393 7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.022 16.992 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.428 16.351 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.124 15.238 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.749 14.981 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.722 16.594 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.220 17.337 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.645 17.586 3.576 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.892 13.869 4.553 1.00 0.00 N ATOM 1686 CA LYS A 110 -11.292 14.311 3.300 1.00 0.00 C ATOM 1687 C LYS A 110 -11.026 13.128 2.375 1.00 0.00 C ATOM 1688 O LYS A 110 -10.781 12.012 2.835 1.00 0.00 O ATOM 1689 CB LYS A 110 -9.985 15.061 3.573 1.00 0.00 C ATOM 1690 CG LYS A 110 -9.392 15.719 2.338 1.00 0.00 C ATOM 1691 CD LYS A 110 -10.071 17.043 2.030 1.00 0.00 C ATOM 1692 CE LYS A 110 -9.471 18.179 2.843 1.00 0.00 C ATOM 1693 NZ LYS A 110 -10.343 19.386 2.838 1.00 0.00 N ATOM 0 H LYS A 110 -11.326 14.057 5.380 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.995 14.983 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -10.165 15.824 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.256 14.365 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.325 15.883 2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.494 15.050 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.974 17.264 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -11.137 16.965 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.315 17.848 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.492 18.437 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.899 20.138 3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.471 19.718 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.269 19.147 3.247 1.00 0.00 H new ATOM 1707 N ALA A 111 -11.076 13.378 1.071 1.00 0.00 N ATOM 1708 CA ALA A 111 -10.839 12.334 0.083 1.00 0.00 C ATOM 1709 C ALA A 111 -9.360 11.965 0.018 1.00 0.00 C ATOM 1710 O ALA A 111 -8.574 12.626 -0.661 1.00 0.00 O ATOM 1711 CB ALA A 111 -11.333 12.779 -1.286 1.00 0.00 C ATOM 0 H ALA A 111 -11.279 14.296 0.674 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.396 11.448 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.149 11.989 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.402 12.986 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.802 13.682 -1.589 1.00 0.00 H new ATOM 1717 N LEU A 112 -8.987 10.907 0.730 1.00 0.00 N ATOM 1718 CA LEU A 112 -7.601 10.452 0.755 1.00 0.00 C ATOM 1719 C LEU A 112 -7.153 10.000 -0.631 1.00 0.00 C ATOM 1720 O LEU A 112 -7.971 9.609 -1.464 1.00 0.00 O ATOM 1721 CB LEU A 112 -7.439 9.305 1.755 1.00 0.00 C ATOM 1722 CG LEU A 112 -6.069 9.189 2.426 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -5.801 10.401 3.304 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.981 7.907 3.240 1.00 0.00 C ATOM 0 H LEU A 112 -9.625 10.348 1.297 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.974 11.288 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.194 9.418 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.650 8.368 1.240 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.306 9.154 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.822 10.301 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.820 11.304 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.568 10.468 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.000 7.841 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.753 7.911 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.127 7.049 2.584 1.00 0.00 H new ATOM 1736 N VAL A 113 -5.846 10.055 -0.871 1.00 0.00 N ATOM 1737 CA VAL A 113 -5.288 9.647 -2.156 1.00 0.00 C ATOM 1738 C VAL A 113 -4.205 8.590 -1.974 1.00 0.00 C ATOM 1739 O VAL A 113 -3.264 8.755 -1.197 1.00 0.00 O ATOM 1740 CB VAL A 113 -4.693 10.849 -2.914 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.856 10.375 -4.092 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -5.798 11.786 -3.377 1.00 0.00 C ATOM 0 H VAL A 113 -5.155 10.378 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.108 9.227 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.042 11.400 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.444 11.237 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.042 9.747 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.482 9.801 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.360 12.630 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.476 11.249 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.351 12.152 -2.512 1.00 0.00 H new ATOM 1752 N PRO A 114 -4.340 7.473 -2.706 1.00 0.00 N ATOM 1753 CA PRO A 114 -3.382 6.366 -2.643 1.00 0.00 C ATOM 1754 C PRO A 114 -2.036 6.728 -3.262 1.00 0.00 C ATOM 1755 O PRO A 114 -1.942 7.648 -4.074 1.00 0.00 O ATOM 1756 CB PRO A 114 -4.064 5.262 -3.455 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.972 5.984 -4.389 1.00 0.00 C ATOM 1758 CD PRO A 114 -5.436 7.208 -3.652 1.00 0.00 C ATOM 0 HA PRO A 114 -3.155 6.081 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.334 4.662 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.620 4.582 -2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.451 6.255 -5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.817 5.357 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.595 8.048 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -6.379 7.032 -3.135 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.996 5.996 -2.875 1.00 0.00 N ATOM 1767 CA PHE A 115 0.346 6.241 -3.392 1.00 0.00 C ATOM 1768 C PHE A 115 0.752 5.155 -4.383 1.00 0.00 C ATOM 1769 O PHE A 115 0.652 3.963 -4.091 1.00 0.00 O ATOM 1770 CB PHE A 115 1.354 6.303 -2.242 1.00 0.00 C ATOM 1771 CG PHE A 115 2.784 6.337 -2.702 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.371 5.217 -3.266 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.540 7.491 -2.569 1.00 0.00 C ATOM 1774 CE1 PHE A 115 4.687 5.246 -3.688 1.00 0.00 C ATOM 1775 CE2 PHE A 115 4.857 7.526 -2.990 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.430 6.402 -3.552 1.00 0.00 C ATOM 0 H PHE A 115 -1.057 5.229 -2.206 1.00 0.00 H new ATOM 0 HA PHE A 115 0.340 7.199 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.153 7.189 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.209 5.438 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.794 4.311 -3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.096 8.373 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.134 4.365 -4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.436 8.431 -2.879 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.457 6.427 -3.884 1.00 0.00 H new ATOM 1786 N LEU A 116 1.213 5.575 -5.556 1.00 0.00 N ATOM 1787 CA LEU A 116 1.635 4.640 -6.593 1.00 0.00 C ATOM 1788 C LEU A 116 2.946 5.090 -7.231 1.00 0.00 C ATOM 1789 O LEU A 116 3.244 6.284 -7.285 1.00 0.00 O ATOM 1790 CB LEU A 116 0.551 4.511 -7.664 1.00 0.00 C ATOM 1791 CG LEU A 116 0.923 3.693 -8.900 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.208 2.249 -8.520 1.00 0.00 C ATOM 1793 CD2 LEU A 116 -0.186 3.763 -9.940 1.00 0.00 C ATOM 0 H LEU A 116 1.304 6.558 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 116 1.794 3.667 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.331 4.062 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.267 5.512 -7.988 1.00 0.00 H new ATOM 0 HG LEU A 116 1.828 4.118 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.471 1.683 -9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.036 2.216 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.321 1.812 -8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.096 3.175 -10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.108 3.364 -9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.342 4.800 -10.236 1.00 0.00 H new ATOM 1805 N LEU A 117 3.722 4.127 -7.715 1.00 0.00 N ATOM 1806 CA LEU A 117 5.001 4.425 -8.353 1.00 0.00 C ATOM 1807 C LEU A 117 5.202 3.564 -9.597 1.00 0.00 C ATOM 1808 O LEU A 117 5.470 2.367 -9.499 1.00 0.00 O ATOM 1809 CB LEU A 117 6.149 4.195 -7.370 1.00 0.00 C ATOM 1810 CG LEU A 117 7.388 5.069 -7.569 1.00 0.00 C ATOM 1811 CD1 LEU A 117 7.854 5.011 -9.015 1.00 0.00 C ATOM 1812 CD2 LEU A 117 7.100 6.505 -7.156 1.00 0.00 C ATOM 0 H LEU A 117 3.489 3.135 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 117 4.993 5.472 -8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.773 4.357 -6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.452 3.150 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 117 8.187 4.684 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.737 5.639 -9.138 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.101 3.982 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.059 5.371 -9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.993 7.112 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.286 6.902 -7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.814 6.531 -6.104 1.00 0.00 H new ATOM 1824 N ASP A 118 5.071 4.183 -10.765 1.00 0.00 N ATOM 1825 CA ASP A 118 5.241 3.475 -12.028 1.00 0.00 C ATOM 1826 C ASP A 118 6.621 2.828 -12.107 1.00 0.00 C ATOM 1827 O ASP A 118 7.631 3.516 -12.259 1.00 0.00 O ATOM 1828 CB ASP A 118 5.045 4.432 -13.205 1.00 0.00 C ATOM 1829 CG ASP A 118 5.792 3.985 -14.446 1.00 0.00 C ATOM 1830 OD1 ASP A 118 5.209 3.227 -15.250 1.00 0.00 O ATOM 1831 OD2 ASP A 118 6.959 4.394 -14.614 1.00 0.00 O ATOM 0 H ASP A 118 4.848 5.173 -10.863 1.00 0.00 H new ATOM 0 HA ASP A 118 4.487 2.689 -12.080 1.00 0.00 H new ATOM 0 HB2 ASP A 118 3.982 4.510 -13.433 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.384 5.428 -12.920 1.00 0.00 H new