USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 507 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 78 ASN : amide:sc= 0.848 K(o=3.4,f=0.75) USER MOD Set 1.2: A 81 ASN : amide:sc= 2.53 K(o=3.4,f=-1.6) USER MOD Set 2.1: A 57 ASN : amide:sc= -1.76! C(o=-1.4!,f=-4.3!) USER MOD Set 2.2: A 75 TYR OH : rot 30:sc= 0.403 USER MOD Set 3.1: A 20 LYS NZ :NH3+ 176:sc= 1.57 (180deg=0.803) USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.829 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0274) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.917 K(o=0.92,f=-4.6!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.057 K(o=-0.057,f=-0.7) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.494 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 290 N LYS A 20 -8.723 -5.528 -4.450 1.00 0.00 N ATOM 291 CA LYS A 20 -8.847 -5.902 -5.861 1.00 0.00 C ATOM 292 C LYS A 20 -7.814 -6.993 -6.191 1.00 0.00 C ATOM 293 O LYS A 20 -6.813 -7.143 -5.487 1.00 0.00 O ATOM 294 CB LYS A 20 -8.666 -4.609 -6.694 1.00 0.00 C ATOM 295 CG LYS A 20 -8.624 -4.741 -8.223 1.00 0.00 C ATOM 296 CD LYS A 20 -9.902 -5.332 -8.841 1.00 0.00 C ATOM 297 CE LYS A 20 -9.770 -5.504 -10.362 1.00 0.00 C ATOM 298 NZ LYS A 20 -8.842 -6.599 -10.744 1.00 0.00 N ATOM 0 HA LYS A 20 -9.822 -6.328 -6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.480 -3.930 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.740 -4.131 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.446 -3.757 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.777 -5.369 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.115 -6.298 -8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.748 -4.681 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.754 -5.705 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.419 -4.569 -10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.845 -6.712 -11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.880 -6.366 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.150 -7.486 -10.298 1.00 0.00 H new ATOM 312 N THR A 21 -8.072 -7.777 -7.237 1.00 0.00 N ATOM 313 CA THR A 21 -7.173 -8.779 -7.798 1.00 0.00 C ATOM 314 C THR A 21 -6.115 -8.111 -8.688 1.00 0.00 C ATOM 315 O THR A 21 -6.435 -7.174 -9.427 1.00 0.00 O ATOM 316 CB THR A 21 -8.023 -9.781 -8.601 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.043 -9.106 -9.332 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.707 -10.781 -7.665 1.00 0.00 C ATOM 0 H THR A 21 -8.958 -7.726 -7.739 1.00 0.00 H new ATOM 0 HA THR A 21 -6.641 -9.302 -7.003 1.00 0.00 H new ATOM 0 HB THR A 21 -7.350 -10.300 -9.284 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.571 -9.760 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.303 -11.480 -8.252 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.951 -11.330 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.355 -10.245 -6.971 1.00 0.00 H new ATOM 326 N PHE A 22 -4.873 -8.600 -8.669 1.00 0.00 N ATOM 327 CA PHE A 22 -3.763 -8.062 -9.453 1.00 0.00 C ATOM 328 C PHE A 22 -2.848 -9.195 -9.925 1.00 0.00 C ATOM 329 O PHE A 22 -2.840 -10.280 -9.338 1.00 0.00 O ATOM 330 CB PHE A 22 -2.966 -7.054 -8.609 1.00 0.00 C ATOM 331 CG PHE A 22 -3.757 -5.837 -8.169 1.00 0.00 C ATOM 332 CD1 PHE A 22 -3.997 -4.786 -9.074 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.278 -5.762 -6.864 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.731 -3.658 -8.669 1.00 0.00 C ATOM 335 CE2 PHE A 22 -5.005 -4.632 -6.456 1.00 0.00 C ATOM 336 CZ PHE A 22 -5.224 -3.575 -7.354 1.00 0.00 C ATOM 0 H PHE A 22 -4.607 -9.399 -8.094 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.165 -7.552 -10.329 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.584 -7.563 -7.724 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.102 -6.721 -9.184 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.616 -4.847 -10.083 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.118 -6.577 -6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.917 -2.855 -9.367 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.396 -4.576 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.770 -2.699 -7.036 1.00 0.00 H new ATOM 346 N SER A 23 -2.054 -8.904 -10.956 1.00 0.00 N ATOM 347 CA SER A 23 -1.064 -9.775 -11.583 1.00 0.00 C ATOM 348 C SER A 23 0.043 -8.875 -12.155 1.00 0.00 C ATOM 349 O SER A 23 -0.099 -7.648 -12.143 1.00 0.00 O ATOM 350 CB SER A 23 -1.720 -10.592 -12.712 1.00 0.00 C ATOM 351 OG SER A 23 -2.811 -11.373 -12.253 1.00 0.00 O ATOM 0 H SER A 23 -2.090 -7.989 -11.405 1.00 0.00 H new ATOM 0 HA SER A 23 -0.652 -10.475 -10.857 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.065 -9.915 -13.493 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.974 -11.246 -13.164 1.00 0.00 H new ATOM 0 HG SER A 23 -3.195 -11.872 -13.004 1.00 0.00 H new ATOM 357 N TYR A 24 1.117 -9.459 -12.695 1.00 0.00 N ATOM 358 CA TYR A 24 2.141 -8.751 -13.462 1.00 0.00 C ATOM 359 C TYR A 24 2.318 -9.472 -14.812 1.00 0.00 C ATOM 360 O TYR A 24 1.990 -10.662 -14.894 1.00 0.00 O ATOM 361 CB TYR A 24 3.481 -8.758 -12.703 1.00 0.00 C ATOM 362 CG TYR A 24 3.646 -7.901 -11.455 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.930 -6.701 -11.261 1.00 0.00 C ATOM 364 CD2 TYR A 24 4.622 -8.282 -10.514 1.00 0.00 C ATOM 365 CE1 TYR A 24 3.187 -5.897 -10.135 1.00 0.00 C ATOM 366 CE2 TYR A 24 4.891 -7.480 -9.393 1.00 0.00 C ATOM 367 CZ TYR A 24 4.178 -6.276 -9.202 1.00 0.00 C ATOM 368 OH TYR A 24 4.452 -5.468 -8.140 1.00 0.00 O ATOM 0 H TYR A 24 1.301 -10.459 -12.608 1.00 0.00 H new ATOM 0 HA TYR A 24 1.833 -7.717 -13.615 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.689 -9.790 -12.419 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.256 -8.459 -13.408 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.182 -6.398 -11.979 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.170 -9.202 -10.656 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.625 -4.987 -9.984 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.642 -7.783 -8.678 1.00 0.00 H new ATOM 0 HH TYR A 24 5.157 -5.874 -7.594 1.00 0.00 H new ATOM 378 N PRO A 25 2.863 -8.820 -15.860 1.00 0.00 N ATOM 379 CA PRO A 25 3.142 -7.386 -15.956 1.00 0.00 C ATOM 380 C PRO A 25 1.855 -6.556 -15.844 1.00 0.00 C ATOM 381 O PRO A 25 0.794 -6.982 -16.310 1.00 0.00 O ATOM 382 CB PRO A 25 3.796 -7.176 -17.329 1.00 0.00 C ATOM 383 CG PRO A 25 4.319 -8.558 -17.711 1.00 0.00 C ATOM 384 CD PRO A 25 3.296 -9.493 -17.075 1.00 0.00 C ATOM 0 HA PRO A 25 3.791 -7.061 -15.143 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.077 -6.806 -18.060 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.603 -6.445 -17.278 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.368 -8.687 -18.792 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.323 -8.732 -17.323 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.456 -9.672 -17.746 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.737 -10.464 -16.851 1.00 0.00 H new ATOM 392 N LEU A 26 1.946 -5.379 -15.222 1.00 0.00 N ATOM 393 CA LEU A 26 0.854 -4.423 -15.048 1.00 0.00 C ATOM 394 C LEU A 26 1.486 -3.059 -14.746 1.00 0.00 C ATOM 395 O LEU A 26 2.634 -3.001 -14.304 1.00 0.00 O ATOM 396 CB LEU A 26 -0.054 -4.895 -13.891 1.00 0.00 C ATOM 397 CG LEU A 26 -1.333 -4.072 -13.644 1.00 0.00 C ATOM 398 CD1 LEU A 26 -2.240 -3.995 -14.880 1.00 0.00 C ATOM 399 CD2 LEU A 26 -2.126 -4.694 -12.490 1.00 0.00 C ATOM 0 H LEU A 26 2.820 -5.054 -14.809 1.00 0.00 H new ATOM 0 HA LEU A 26 0.236 -4.347 -15.943 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.344 -5.928 -14.084 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.534 -4.896 -12.973 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.016 -3.058 -13.402 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.125 -3.403 -14.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.697 -3.527 -15.701 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.543 -5.000 -15.172 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.031 -4.112 -12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.397 -5.718 -12.745 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.515 -4.695 -11.587 1.00 0.00 H new ATOM 411 N ASP A 27 0.756 -1.963 -14.977 1.00 0.00 N ATOM 412 CA ASP A 27 1.264 -0.611 -14.715 1.00 0.00 C ATOM 413 C ASP A 27 1.377 -0.307 -13.215 1.00 0.00 C ATOM 414 O ASP A 27 2.152 0.562 -12.814 1.00 0.00 O ATOM 415 CB ASP A 27 0.373 0.434 -15.393 1.00 0.00 C ATOM 416 CG ASP A 27 1.036 1.818 -15.368 1.00 0.00 C ATOM 417 OD1 ASP A 27 2.166 1.958 -15.885 1.00 0.00 O ATOM 418 OD2 ASP A 27 0.392 2.798 -14.935 1.00 0.00 O ATOM 0 H ASP A 27 -0.194 -1.986 -15.347 1.00 0.00 H new ATOM 0 HA ASP A 27 2.269 -0.563 -15.134 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.178 0.138 -16.424 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.591 0.479 -14.887 1.00 0.00 H new ATOM 423 N LEU A 28 0.618 -1.028 -12.377 1.00 0.00 N ATOM 424 CA LEU A 28 0.775 -1.004 -10.926 1.00 0.00 C ATOM 425 C LEU A 28 2.194 -1.461 -10.594 1.00 0.00 C ATOM 426 O LEU A 28 2.597 -2.551 -11.006 1.00 0.00 O ATOM 427 CB LEU A 28 -0.261 -1.926 -10.254 1.00 0.00 C ATOM 428 CG LEU A 28 -0.035 -2.132 -8.737 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.085 -0.821 -7.945 1.00 0.00 C ATOM 430 CD2 LEU A 28 -1.094 -3.087 -8.181 1.00 0.00 C ATOM 0 H LEU A 28 -0.127 -1.648 -12.696 1.00 0.00 H new ATOM 0 HA LEU A 28 0.610 0.006 -10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.256 -1.509 -10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.242 -2.897 -10.748 1.00 0.00 H new ATOM 0 HG LEU A 28 0.965 -2.551 -8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.080 -1.028 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.691 -0.147 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.061 -0.354 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.931 -3.229 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.086 -2.665 -8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.021 -4.048 -8.690 1.00 0.00 H new ATOM 442 N LEU A 29 2.921 -0.668 -9.809 1.00 0.00 N ATOM 443 CA LEU A 29 4.235 -1.009 -9.277 1.00 0.00 C ATOM 444 C LEU A 29 4.283 -0.536 -7.829 1.00 0.00 C ATOM 445 O LEU A 29 3.550 0.379 -7.443 1.00 0.00 O ATOM 446 CB LEU A 29 5.355 -0.337 -10.095 1.00 0.00 C ATOM 447 CG LEU A 29 5.548 -0.891 -11.523 1.00 0.00 C ATOM 448 CD1 LEU A 29 6.557 -0.019 -12.278 1.00 0.00 C ATOM 449 CD2 LEU A 29 6.051 -2.342 -11.519 1.00 0.00 C ATOM 0 H LEU A 29 2.601 0.256 -9.518 1.00 0.00 H new ATOM 0 HA LEU A 29 4.392 -2.086 -9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.144 0.730 -10.162 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.294 -0.443 -9.551 1.00 0.00 H new ATOM 0 HG LEU A 29 4.575 -0.872 -12.014 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.693 -0.410 -13.286 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.185 1.004 -12.333 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.512 -0.030 -11.753 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.172 -2.688 -12.546 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.010 -2.393 -11.004 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.329 -2.976 -11.005 1.00 0.00 H new ATOM 461 N LEU A 30 5.164 -1.142 -7.037 1.00 0.00 N ATOM 462 CA LEU A 30 5.294 -0.911 -5.603 1.00 0.00 C ATOM 463 C LEU A 30 6.742 -0.504 -5.313 1.00 0.00 C ATOM 464 O LEU A 30 7.657 -0.910 -6.036 1.00 0.00 O ATOM 465 CB LEU A 30 4.953 -2.197 -4.816 1.00 0.00 C ATOM 466 CG LEU A 30 3.476 -2.606 -4.637 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.634 -1.508 -3.986 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.779 -3.051 -5.927 1.00 0.00 C ATOM 0 H LEU A 30 5.829 -1.831 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 30 4.605 -0.125 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.465 -3.026 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.388 -2.097 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 30 3.536 -3.469 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.604 -1.851 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.038 -1.276 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.659 -0.613 -4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.746 -3.320 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.796 -2.235 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.299 -3.915 -6.342 1.00 0.00 H new ATOM 480 N LYS A 31 6.961 0.256 -4.238 1.00 0.00 N ATOM 481 CA LYS A 31 8.286 0.624 -3.730 1.00 0.00 C ATOM 482 C LYS A 31 8.249 0.638 -2.208 1.00 0.00 C ATOM 483 O LYS A 31 7.164 0.670 -1.631 1.00 0.00 O ATOM 484 CB LYS A 31 8.751 1.968 -4.332 1.00 0.00 C ATOM 485 CG LYS A 31 7.886 3.216 -4.047 1.00 0.00 C ATOM 486 CD LYS A 31 8.142 3.887 -2.686 1.00 0.00 C ATOM 487 CE LYS A 31 7.431 5.246 -2.569 1.00 0.00 C ATOM 488 NZ LYS A 31 8.044 6.304 -3.417 1.00 0.00 N ATOM 0 H LYS A 31 6.200 0.644 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 31 9.024 -0.116 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.759 2.168 -3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.820 1.846 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.061 3.949 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.835 2.932 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.799 3.229 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.214 4.026 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.384 5.126 -2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.448 5.569 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.586 7.217 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.060 6.373 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.915 6.063 -4.420 1.00 0.00 H new ATOM 502 N LEU A 32 9.409 0.648 -1.557 1.00 0.00 N ATOM 503 CA LEU A 32 9.543 0.675 -0.102 1.00 0.00 C ATOM 504 C LEU A 32 10.037 2.066 0.294 1.00 0.00 C ATOM 505 O LEU A 32 11.049 2.525 -0.238 1.00 0.00 O ATOM 506 CB LEU A 32 10.526 -0.434 0.325 1.00 0.00 C ATOM 507 CG LEU A 32 10.971 -0.405 1.801 1.00 0.00 C ATOM 508 CD1 LEU A 32 9.792 -0.501 2.772 1.00 0.00 C ATOM 509 CD2 LEU A 32 11.923 -1.573 2.078 1.00 0.00 C ATOM 0 H LEU A 32 10.307 0.637 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 32 8.594 0.487 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.064 -1.400 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.414 -0.368 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 32 11.467 0.552 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.162 -0.476 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.117 0.339 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.256 -1.435 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.235 -1.548 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.413 -2.514 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.799 -1.488 1.436 1.00 0.00 H new ATOM 521 N HIS A 33 9.338 2.730 1.217 1.00 0.00 N ATOM 522 CA HIS A 33 9.721 4.026 1.768 1.00 0.00 C ATOM 523 C HIS A 33 9.180 4.118 3.196 1.00 0.00 C ATOM 524 O HIS A 33 8.060 3.685 3.453 1.00 0.00 O ATOM 525 CB HIS A 33 9.135 5.143 0.892 1.00 0.00 C ATOM 526 CG HIS A 33 9.454 6.531 1.390 1.00 0.00 C ATOM 527 ND1 HIS A 33 8.638 7.332 2.161 1.00 0.00 N ATOM 528 CD2 HIS A 33 10.617 7.223 1.180 1.00 0.00 C ATOM 529 CE1 HIS A 33 9.296 8.476 2.411 1.00 0.00 C ATOM 530 NE2 HIS A 33 10.512 8.461 1.831 1.00 0.00 N ATOM 0 H HIS A 33 8.468 2.370 1.610 1.00 0.00 H new ATOM 0 HA HIS A 33 10.805 4.135 1.784 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.515 5.034 -0.124 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.053 5.024 0.842 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.467 6.876 0.612 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.904 9.295 2.996 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.214 9.200 1.860 1.00 0.00 H new ATOM 538 N ASP A 34 9.958 4.698 4.116 1.00 0.00 N ATOM 539 CA ASP A 34 9.601 4.888 5.529 1.00 0.00 C ATOM 540 C ASP A 34 9.012 3.616 6.167 1.00 0.00 C ATOM 541 O ASP A 34 8.001 3.647 6.869 1.00 0.00 O ATOM 542 CB ASP A 34 8.718 6.137 5.694 1.00 0.00 C ATOM 543 CG ASP A 34 8.472 6.494 7.173 1.00 0.00 C ATOM 544 OD1 ASP A 34 9.432 6.488 7.977 1.00 0.00 O ATOM 545 OD2 ASP A 34 7.329 6.860 7.527 1.00 0.00 O ATOM 0 H ASP A 34 10.885 5.061 3.892 1.00 0.00 H new ATOM 0 HA ASP A 34 10.516 5.072 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.192 6.982 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.761 5.969 5.200 1.00 0.00 H new ATOM 550 N GLU A 35 9.647 2.471 5.880 1.00 0.00 N ATOM 551 CA GLU A 35 9.270 1.135 6.356 1.00 0.00 C ATOM 552 C GLU A 35 7.844 0.711 5.951 1.00 0.00 C ATOM 553 O GLU A 35 7.238 -0.140 6.608 1.00 0.00 O ATOM 554 CB GLU A 35 9.534 0.989 7.872 1.00 0.00 C ATOM 555 CG GLU A 35 10.968 1.335 8.309 1.00 0.00 C ATOM 556 CD GLU A 35 12.047 0.529 7.563 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.865 -0.690 7.350 1.00 0.00 O ATOM 558 OE2 GLU A 35 13.093 1.111 7.196 1.00 0.00 O ATOM 0 H GLU A 35 10.474 2.451 5.283 1.00 0.00 H new ATOM 0 HA GLU A 35 9.920 0.428 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.839 1.632 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.316 -0.037 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.143 2.399 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.067 1.156 9.380 1.00 0.00 H new ATOM 565 N ARG A 36 7.288 1.265 4.868 1.00 0.00 N ATOM 566 CA ARG A 36 6.000 0.860 4.312 1.00 0.00 C ATOM 567 C ARG A 36 6.176 0.624 2.821 1.00 0.00 C ATOM 568 O ARG A 36 6.872 1.388 2.150 1.00 0.00 O ATOM 569 CB ARG A 36 4.934 1.945 4.566 1.00 0.00 C ATOM 570 CG ARG A 36 4.638 2.231 6.049 1.00 0.00 C ATOM 571 CD ARG A 36 4.062 1.013 6.783 1.00 0.00 C ATOM 572 NE ARG A 36 3.838 1.292 8.212 1.00 0.00 N ATOM 573 CZ ARG A 36 4.693 1.053 9.218 1.00 0.00 C ATOM 574 NH1 ARG A 36 5.900 0.533 8.995 1.00 0.00 N ATOM 575 NH2 ARG A 36 4.328 1.336 10.464 1.00 0.00 N ATOM 0 H ARG A 36 7.732 2.021 4.347 1.00 0.00 H new ATOM 0 HA ARG A 36 5.660 -0.056 4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.259 2.871 4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.007 1.644 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.556 2.548 6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.934 3.060 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.121 0.720 6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.745 0.170 6.680 1.00 0.00 H new ATOM 0 HE ARG A 36 2.942 1.709 8.462 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.191 0.308 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.533 0.360 9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.406 1.731 10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.970 1.158 11.236 1.00 0.00 H new ATOM 589 N VAL A 37 5.557 -0.425 2.289 1.00 0.00 N ATOM 590 CA VAL A 37 5.492 -0.606 0.848 1.00 0.00 C ATOM 591 C VAL A 37 4.289 0.192 0.348 1.00 0.00 C ATOM 592 O VAL A 37 3.176 0.048 0.864 1.00 0.00 O ATOM 593 CB VAL A 37 5.497 -2.101 0.483 1.00 0.00 C ATOM 594 CG1 VAL A 37 5.202 -2.319 -1.004 1.00 0.00 C ATOM 595 CG2 VAL A 37 6.897 -2.671 0.773 1.00 0.00 C ATOM 0 H VAL A 37 5.097 -1.156 2.831 1.00 0.00 H new ATOM 0 HA VAL A 37 6.374 -0.219 0.339 1.00 0.00 H new ATOM 0 HB VAL A 37 4.726 -2.597 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.214 -3.386 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.221 -1.910 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.961 -1.816 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.918 -3.731 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.637 -2.140 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.129 -2.546 1.831 1.00 0.00 H new ATOM 605 N LEU A 38 4.530 1.048 -0.648 1.00 0.00 N ATOM 606 CA LEU A 38 3.583 2.015 -1.182 1.00 0.00 C ATOM 607 C LEU A 38 3.477 1.826 -2.692 1.00 0.00 C ATOM 608 O LEU A 38 4.421 1.359 -3.333 1.00 0.00 O ATOM 609 CB LEU A 38 4.038 3.466 -0.911 1.00 0.00 C ATOM 610 CG LEU A 38 4.334 3.860 0.548 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.744 5.337 0.609 1.00 0.00 C ATOM 612 CD2 LEU A 38 3.152 3.636 1.493 1.00 0.00 C ATOM 0 H LEU A 38 5.433 1.083 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 38 2.624 1.850 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.938 3.651 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.267 4.136 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 38 5.142 3.210 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.953 5.614 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.637 5.492 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.933 5.956 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.432 3.935 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.302 4.232 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.878 2.581 1.490 1.00 0.00 H new ATOM 624 N VAL A 39 2.349 2.243 -3.262 1.00 0.00 N ATOM 625 CA VAL A 39 2.131 2.335 -4.700 1.00 0.00 C ATOM 626 C VAL A 39 3.150 3.326 -5.268 1.00 0.00 C ATOM 627 O VAL A 39 3.128 4.504 -4.901 1.00 0.00 O ATOM 628 CB VAL A 39 0.675 2.764 -4.977 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.388 2.842 -6.482 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.341 1.794 -4.356 1.00 0.00 C ATOM 0 H VAL A 39 1.537 2.535 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 39 2.275 1.371 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 39 0.566 3.748 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.647 3.147 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.055 3.571 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.551 1.864 -6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.352 2.136 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.195 0.798 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.197 1.759 -3.276 1.00 0.00 H new ATOM 640 N ALA A 40 4.024 2.849 -6.157 1.00 0.00 N ATOM 641 CA ALA A 40 5.008 3.657 -6.865 1.00 0.00 C ATOM 642 C ALA A 40 4.404 4.266 -8.131 1.00 0.00 C ATOM 643 O ALA A 40 4.642 5.434 -8.430 1.00 0.00 O ATOM 644 CB ALA A 40 6.202 2.773 -7.252 1.00 0.00 C ATOM 0 H ALA A 40 4.064 1.861 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 40 5.331 4.465 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.942 3.373 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.652 2.355 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.861 1.963 -7.897 1.00 0.00 H new ATOM 650 N PHE A 41 3.618 3.468 -8.858 1.00 0.00 N ATOM 651 CA PHE A 41 2.964 3.810 -10.118 1.00 0.00 C ATOM 652 C PHE A 41 1.674 2.992 -10.205 1.00 0.00 C ATOM 653 O PHE A 41 1.551 1.978 -9.514 1.00 0.00 O ATOM 654 CB PHE A 41 3.875 3.477 -11.314 1.00 0.00 C ATOM 655 CG PHE A 41 5.168 4.271 -11.386 1.00 0.00 C ATOM 656 CD1 PHE A 41 5.165 5.573 -11.924 1.00 0.00 C ATOM 657 CD2 PHE A 41 6.376 3.715 -10.920 1.00 0.00 C ATOM 658 CE1 PHE A 41 6.359 6.314 -11.990 1.00 0.00 C ATOM 659 CE2 PHE A 41 7.569 4.456 -10.985 1.00 0.00 C ATOM 660 CZ PHE A 41 7.561 5.757 -11.520 1.00 0.00 C ATOM 0 H PHE A 41 3.411 2.513 -8.565 1.00 0.00 H new ATOM 0 HA PHE A 41 2.751 4.879 -10.150 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.121 2.416 -11.278 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.314 3.643 -12.234 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.243 6.004 -12.287 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.385 2.715 -10.511 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.352 7.312 -12.402 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.492 4.026 -10.624 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.477 6.327 -11.570 1.00 0.00 H new ATOM 780 N VAL A 49 -1.043 6.606 -6.529 1.00 0.00 N ATOM 781 CA VAL A 49 0.301 6.581 -5.949 1.00 0.00 C ATOM 782 C VAL A 49 0.252 6.989 -4.467 1.00 0.00 C ATOM 783 O VAL A 49 -0.605 7.774 -4.056 1.00 0.00 O ATOM 784 CB VAL A 49 1.215 7.482 -6.818 1.00 0.00 C ATOM 785 CG1 VAL A 49 2.624 7.713 -6.251 1.00 0.00 C ATOM 786 CG2 VAL A 49 1.381 6.855 -8.215 1.00 0.00 C ATOM 0 HA VAL A 49 0.721 5.575 -5.957 1.00 0.00 H new ATOM 0 HB VAL A 49 0.713 8.449 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.188 8.355 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.549 8.192 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.136 6.756 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.024 7.490 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.832 5.867 -8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.405 6.764 -8.691 1.00 0.00 H new ATOM 796 N GLY A 50 1.181 6.452 -3.666 1.00 0.00 N ATOM 797 CA GLY A 50 1.389 6.859 -2.278 1.00 0.00 C ATOM 798 C GLY A 50 0.482 6.144 -1.272 1.00 0.00 C ATOM 799 O GLY A 50 0.692 6.292 -0.067 1.00 0.00 O ATOM 0 H GLY A 50 1.815 5.714 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.429 6.674 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.226 7.934 -2.198 1.00 0.00 H new ATOM 803 N HIS A 51 -0.503 5.361 -1.730 1.00 0.00 N ATOM 804 CA HIS A 51 -1.271 4.481 -0.853 1.00 0.00 C ATOM 805 C HIS A 51 -0.362 3.337 -0.417 1.00 0.00 C ATOM 806 O HIS A 51 0.548 2.955 -1.155 1.00 0.00 O ATOM 807 CB HIS A 51 -2.525 3.957 -1.563 1.00 0.00 C ATOM 808 CG HIS A 51 -3.569 5.032 -1.716 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.593 6.008 -2.682 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.614 5.279 -0.866 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.620 6.833 -2.414 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.283 6.426 -1.315 1.00 0.00 N ATOM 0 H HIS A 51 -0.785 5.322 -2.710 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.614 5.032 0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.253 3.572 -2.546 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.941 3.123 -0.998 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -2.945 6.092 -3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.877 4.691 0.001 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.878 7.703 -3.000 1.00 0.00 H new ATOM 820 N ALA A 52 -0.612 2.787 0.767 1.00 0.00 N ATOM 821 CA ALA A 52 0.159 1.703 1.343 1.00 0.00 C ATOM 822 C ALA A 52 -0.565 0.385 1.126 1.00 0.00 C ATOM 823 O ALA A 52 -1.799 0.335 1.116 1.00 0.00 O ATOM 824 CB ALA A 52 0.329 1.951 2.846 1.00 0.00 C ATOM 0 H ALA A 52 -1.379 3.095 1.365 1.00 0.00 H new ATOM 0 HA ALA A 52 1.137 1.657 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.908 1.139 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.851 2.895 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.651 1.996 3.321 1.00 0.00 H new ATOM 830 N VAL A 53 0.210 -0.688 0.967 1.00 0.00 N ATOM 831 CA VAL A 53 -0.341 -2.033 0.985 1.00 0.00 C ATOM 832 C VAL A 53 -0.823 -2.256 2.426 1.00 0.00 C ATOM 833 O VAL A 53 -0.134 -1.885 3.380 1.00 0.00 O ATOM 834 CB VAL A 53 0.724 -3.061 0.549 1.00 0.00 C ATOM 835 CG1 VAL A 53 0.166 -4.490 0.567 1.00 0.00 C ATOM 836 CG2 VAL A 53 1.245 -2.776 -0.868 1.00 0.00 C ATOM 0 H VAL A 53 1.219 -0.647 0.825 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.165 -2.157 0.283 1.00 0.00 H new ATOM 0 HB VAL A 53 1.540 -2.970 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.943 -5.188 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.162 -4.740 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.680 -4.559 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.993 -3.522 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.417 -2.820 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.695 -1.784 -0.897 1.00 0.00 H new ATOM 846 N LEU A 54 -1.999 -2.863 2.578 1.00 0.00 N ATOM 847 CA LEU A 54 -2.621 -3.166 3.864 1.00 0.00 C ATOM 848 C LEU A 54 -2.726 -4.680 4.035 1.00 0.00 C ATOM 849 O LEU A 54 -2.452 -5.173 5.128 1.00 0.00 O ATOM 850 CB LEU A 54 -4.000 -2.475 3.974 1.00 0.00 C ATOM 851 CG LEU A 54 -4.048 -1.235 4.893 1.00 0.00 C ATOM 852 CD1 LEU A 54 -3.901 -1.621 6.370 1.00 0.00 C ATOM 853 CD2 LEU A 54 -3.003 -0.170 4.537 1.00 0.00 C ATOM 0 H LEU A 54 -2.562 -3.167 1.784 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.002 -2.776 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.320 -2.178 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.725 -3.204 4.337 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.032 -0.796 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.939 -0.723 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.713 -2.291 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.946 -2.124 6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.094 0.672 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.004 -0.599 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.167 0.174 3.516 1.00 0.00 H new ATOM 865 N ALA A 55 -3.017 -5.440 2.971 1.00 0.00 N ATOM 866 CA ALA A 55 -2.921 -6.901 3.009 1.00 0.00 C ATOM 867 C ALA A 55 -2.634 -7.451 1.616 1.00 0.00 C ATOM 868 O ALA A 55 -2.929 -6.787 0.625 1.00 0.00 O ATOM 869 CB ALA A 55 -4.216 -7.521 3.560 1.00 0.00 C ATOM 0 H ALA A 55 -3.321 -5.064 2.073 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.099 -7.168 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.120 -8.607 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.393 -7.155 4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.054 -7.241 2.921 1.00 0.00 H new ATOM 875 N ILE A 56 -2.130 -8.684 1.539 1.00 0.00 N ATOM 876 CA ILE A 56 -1.992 -9.449 0.300 1.00 0.00 C ATOM 877 C ILE A 56 -2.478 -10.857 0.622 1.00 0.00 C ATOM 878 O ILE A 56 -2.070 -11.430 1.630 1.00 0.00 O ATOM 879 CB ILE A 56 -0.535 -9.479 -0.219 1.00 0.00 C ATOM 880 CG1 ILE A 56 -0.018 -8.065 -0.544 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.474 -10.365 -1.483 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.478 -8.005 -0.853 1.00 0.00 C ATOM 0 H ILE A 56 -1.798 -9.191 2.359 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.574 -8.986 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 56 0.104 -9.889 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.571 -7.675 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.231 -7.409 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.549 -10.394 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.798 -11.376 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.130 -9.952 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.763 -6.976 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.042 -8.363 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.697 -8.633 -1.717 1.00 0.00 H new ATOM 894 N ASN A 57 -3.322 -11.427 -0.242 1.00 0.00 N ATOM 895 CA ASN A 57 -3.884 -12.778 -0.135 1.00 0.00 C ATOM 896 C ASN A 57 -4.456 -13.071 1.265 1.00 0.00 C ATOM 897 O ASN A 57 -4.414 -14.207 1.741 1.00 0.00 O ATOM 898 CB ASN A 57 -2.857 -13.827 -0.614 1.00 0.00 C ATOM 899 CG ASN A 57 -2.448 -13.640 -2.074 1.00 0.00 C ATOM 900 OD1 ASN A 57 -3.226 -13.173 -2.901 1.00 0.00 O ATOM 901 ND2 ASN A 57 -1.218 -13.968 -2.429 1.00 0.00 N ATOM 0 H ASN A 57 -3.648 -10.937 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.743 -12.843 -0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.969 -13.772 0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.278 -14.824 -0.485 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.912 -13.833 -3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.574 -14.356 -1.739 1.00 0.00 H new ATOM 908 N GLY A 58 -4.966 -12.034 1.940 1.00 0.00 N ATOM 909 CA GLY A 58 -5.567 -12.114 3.270 1.00 0.00 C ATOM 910 C GLY A 58 -4.563 -11.915 4.411 1.00 0.00 C ATOM 911 O GLY A 58 -4.983 -11.707 5.549 1.00 0.00 O ATOM 0 H GLY A 58 -4.970 -11.087 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.350 -11.361 3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.047 -13.086 3.385 1.00 0.00 H new ATOM 915 N MET A 59 -3.253 -11.952 4.137 1.00 0.00 N ATOM 916 CA MET A 59 -2.217 -11.651 5.114 1.00 0.00 C ATOM 917 C MET A 59 -2.083 -10.136 5.236 1.00 0.00 C ATOM 918 O MET A 59 -1.586 -9.480 4.320 1.00 0.00 O ATOM 919 CB MET A 59 -0.862 -12.244 4.697 1.00 0.00 C ATOM 920 CG MET A 59 -0.829 -13.774 4.732 1.00 0.00 C ATOM 921 SD MET A 59 0.836 -14.447 4.469 1.00 0.00 S ATOM 922 CE MET A 59 0.471 -16.217 4.611 1.00 0.00 C ATOM 0 H MET A 59 -2.886 -12.196 3.217 1.00 0.00 H new ATOM 0 HA MET A 59 -2.502 -12.094 6.068 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.621 -11.906 3.689 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.086 -11.856 5.357 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.208 -14.119 5.694 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.499 -14.165 3.967 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.388 -16.790 4.475 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.056 -16.425 5.597 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.251 -16.502 3.846 1.00 0.00 H new ATOM 932 N ASP A 60 -2.534 -9.583 6.361 1.00 0.00 N ATOM 933 CA ASP A 60 -2.288 -8.193 6.745 1.00 0.00 C ATOM 934 C ASP A 60 -0.773 -7.977 6.768 1.00 0.00 C ATOM 935 O ASP A 60 -0.058 -8.756 7.407 1.00 0.00 O ATOM 936 CB ASP A 60 -2.906 -7.932 8.124 1.00 0.00 C ATOM 937 CG ASP A 60 -2.537 -6.543 8.672 1.00 0.00 C ATOM 938 OD1 ASP A 60 -3.292 -5.576 8.431 1.00 0.00 O ATOM 939 OD2 ASP A 60 -1.528 -6.425 9.401 1.00 0.00 O ATOM 0 H ASP A 60 -3.091 -10.097 7.044 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.743 -7.500 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.991 -8.018 8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.569 -8.698 8.822 1.00 0.00 H new ATOM 944 N VAL A 61 -0.261 -6.993 6.022 1.00 0.00 N ATOM 945 CA VAL A 61 1.184 -6.823 5.896 1.00 0.00 C ATOM 946 C VAL A 61 1.714 -6.056 7.111 1.00 0.00 C ATOM 947 O VAL A 61 1.169 -5.025 7.515 1.00 0.00 O ATOM 948 CB VAL A 61 1.600 -6.199 4.543 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.204 -7.117 3.372 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.054 -4.793 4.279 1.00 0.00 C ATOM 0 H VAL A 61 -0.818 -6.313 5.505 1.00 0.00 H new ATOM 0 HA VAL A 61 1.652 -7.807 5.890 1.00 0.00 H new ATOM 0 HB VAL A 61 2.683 -6.099 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.507 -6.657 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.701 -8.081 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.124 -7.263 3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.402 -4.444 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.036 -4.818 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.407 -4.114 5.055 1.00 0.00 H new ATOM 960 N ASN A 62 2.806 -6.558 7.687 1.00 0.00 N ATOM 961 CA ASN A 62 3.604 -5.892 8.703 1.00 0.00 C ATOM 962 C ASN A 62 4.484 -4.868 7.980 1.00 0.00 C ATOM 963 O ASN A 62 5.683 -5.095 7.794 1.00 0.00 O ATOM 964 CB ASN A 62 4.429 -6.924 9.492 1.00 0.00 C ATOM 965 CG ASN A 62 5.340 -6.263 10.529 1.00 0.00 C ATOM 966 OD1 ASN A 62 5.082 -5.160 11.009 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.419 -6.926 10.911 1.00 0.00 N ATOM 0 H ASN A 62 3.170 -7.479 7.444 1.00 0.00 H new ATOM 0 HA ASN A 62 2.979 -5.380 9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.755 -7.619 9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.034 -7.509 8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.045 -6.523 11.609 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.625 -7.840 10.508 1.00 0.00 H new ATOM 974 N GLY A 63 3.853 -3.801 7.478 1.00 0.00 N ATOM 975 CA GLY A 63 4.439 -2.618 6.843 1.00 0.00 C ATOM 976 C GLY A 63 5.108 -2.879 5.492 1.00 0.00 C ATOM 977 O GLY A 63 4.722 -2.302 4.475 1.00 0.00 O ATOM 0 H GLY A 63 2.835 -3.739 7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.657 -1.871 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.176 -2.187 7.520 1.00 0.00 H new ATOM 981 N ARG A 64 6.098 -3.766 5.483 1.00 0.00 N ATOM 982 CA ARG A 64 6.916 -4.153 4.340 1.00 0.00 C ATOM 983 C ARG A 64 7.085 -5.671 4.259 1.00 0.00 C ATOM 984 O ARG A 64 7.643 -6.154 3.273 1.00 0.00 O ATOM 985 CB ARG A 64 8.275 -3.426 4.417 1.00 0.00 C ATOM 986 CG ARG A 64 9.067 -3.771 5.691 1.00 0.00 C ATOM 987 CD ARG A 64 10.421 -3.061 5.776 1.00 0.00 C ATOM 988 NE ARG A 64 11.435 -3.645 4.882 1.00 0.00 N ATOM 989 CZ ARG A 64 12.751 -3.402 4.957 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.237 -2.489 5.793 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.583 -4.079 4.176 1.00 0.00 N ATOM 0 H ARG A 64 6.367 -4.266 6.330 1.00 0.00 H new ATOM 0 HA ARG A 64 6.411 -3.852 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.871 -3.687 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.108 -2.349 4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.470 -3.506 6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.227 -4.848 5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.289 -2.008 5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.783 -3.103 6.803 1.00 0.00 H new ATOM 0 HE ARG A 64 11.112 -4.281 4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.605 -1.959 6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.242 -2.319 5.835 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.219 -4.776 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.586 -3.902 4.225 1.00 0.00 H new ATOM 1005 N TYR A 65 6.593 -6.428 5.243 1.00 0.00 N ATOM 1006 CA TYR A 65 6.664 -7.884 5.251 1.00 0.00 C ATOM 1007 C TYR A 65 5.239 -8.435 5.301 1.00 0.00 C ATOM 1008 O TYR A 65 4.340 -7.741 5.772 1.00 0.00 O ATOM 1009 CB TYR A 65 7.493 -8.365 6.453 1.00 0.00 C ATOM 1010 CG TYR A 65 8.817 -7.643 6.668 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.852 -7.752 5.718 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.008 -6.843 7.812 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.067 -7.065 5.899 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.234 -6.185 8.022 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.275 -6.304 7.073 1.00 0.00 C ATOM 1016 OH TYR A 65 12.465 -5.680 7.301 1.00 0.00 O ATOM 0 H TYR A 65 6.130 -6.039 6.064 1.00 0.00 H new ATOM 0 HA TYR A 65 7.156 -8.247 4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.890 -8.257 7.354 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.695 -9.429 6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.712 -8.369 4.843 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.210 -6.734 8.531 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.838 -7.119 5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.380 -5.588 8.910 1.00 0.00 H new ATOM 0 HH TYR A 65 12.426 -5.203 8.156 1.00 0.00 H new ATOM 1026 N THR A 66 4.995 -9.658 4.838 1.00 0.00 N ATOM 1027 CA THR A 66 3.709 -10.314 5.040 1.00 0.00 C ATOM 1028 C THR A 66 3.545 -10.709 6.512 1.00 0.00 C ATOM 1029 O THR A 66 4.462 -10.559 7.328 1.00 0.00 O ATOM 1030 CB THR A 66 3.574 -11.539 4.119 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.619 -12.463 4.355 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.579 -11.139 2.642 1.00 0.00 C ATOM 0 H THR A 66 5.674 -10.215 4.319 1.00 0.00 H new ATOM 0 HA THR A 66 2.913 -9.615 4.782 1.00 0.00 H new ATOM 0 HB THR A 66 2.616 -12.006 4.350 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.514 -13.235 3.761 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.482 -12.031 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.744 -10.467 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.515 -10.633 2.405 1.00 0.00 H new ATOM 1040 N ALA A 67 2.377 -11.267 6.841 1.00 0.00 N ATOM 1041 CA ALA A 67 2.137 -11.898 8.131 1.00 0.00 C ATOM 1042 C ALA A 67 3.137 -13.038 8.369 1.00 0.00 C ATOM 1043 O ALA A 67 3.618 -13.220 9.488 1.00 0.00 O ATOM 1044 CB ALA A 67 0.708 -12.445 8.147 1.00 0.00 C ATOM 0 H ALA A 67 1.572 -11.291 6.215 1.00 0.00 H new ATOM 0 HA ALA A 67 2.267 -11.163 8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.512 -12.922 9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.004 -11.627 7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.590 -13.177 7.348 1.00 0.00 H new ATOM 1050 N ASP A 68 3.451 -13.796 7.313 1.00 0.00 N ATOM 1051 CA ASP A 68 4.425 -14.887 7.359 1.00 0.00 C ATOM 1052 C ASP A 68 5.858 -14.357 7.491 1.00 0.00 C ATOM 1053 O ASP A 68 6.662 -14.946 8.217 1.00 0.00 O ATOM 1054 CB ASP A 68 4.313 -15.757 6.102 1.00 0.00 C ATOM 1055 CG ASP A 68 5.334 -16.907 6.146 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.104 -17.892 6.885 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.355 -16.843 5.428 1.00 0.00 O ATOM 0 H ASP A 68 3.030 -13.666 6.393 1.00 0.00 H new ATOM 0 HA ASP A 68 4.200 -15.489 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.304 -16.162 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.482 -15.147 5.215 1.00 0.00 H new ATOM 1062 N GLY A 69 6.166 -13.231 6.836 1.00 0.00 N ATOM 1063 CA GLY A 69 7.442 -12.526 6.950 1.00 0.00 C ATOM 1064 C GLY A 69 8.166 -12.341 5.612 1.00 0.00 C ATOM 1065 O GLY A 69 9.299 -11.856 5.602 1.00 0.00 O ATOM 0 H GLY A 69 5.515 -12.776 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.267 -11.547 7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.091 -13.076 7.631 1.00 0.00 H new ATOM 1069 N LYS A 70 7.553 -12.731 4.488 1.00 0.00 N ATOM 1070 CA LYS A 70 8.094 -12.509 3.146 1.00 0.00 C ATOM 1071 C LYS A 70 8.169 -11.001 2.933 1.00 0.00 C ATOM 1072 O LYS A 70 7.198 -10.313 3.245 1.00 0.00 O ATOM 1073 CB LYS A 70 7.164 -13.134 2.085 1.00 0.00 C ATOM 1074 CG LYS A 70 6.854 -14.631 2.272 1.00 0.00 C ATOM 1075 CD LYS A 70 8.056 -15.530 1.961 1.00 0.00 C ATOM 1076 CE LYS A 70 7.687 -16.998 2.216 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.815 -17.920 1.934 1.00 0.00 N ATOM 0 H LYS A 70 6.656 -13.216 4.487 1.00 0.00 H new ATOM 0 HA LYS A 70 9.077 -12.970 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.223 -12.584 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.617 -12.995 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.532 -14.805 3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.022 -14.909 1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.362 -15.397 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.905 -15.246 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.374 -17.117 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.835 -17.269 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.518 -18.899 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.098 -17.828 0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.621 -17.680 2.546 1.00 0.00 H new ATOM 1091 N GLU A 71 9.269 -10.462 2.407 1.00 0.00 N ATOM 1092 CA GLU A 71 9.294 -9.057 2.021 1.00 0.00 C ATOM 1093 C GLU A 71 8.332 -8.888 0.851 1.00 0.00 C ATOM 1094 O GLU A 71 8.404 -9.635 -0.124 1.00 0.00 O ATOM 1095 CB GLU A 71 10.721 -8.599 1.694 1.00 0.00 C ATOM 1096 CG GLU A 71 10.743 -7.104 1.339 1.00 0.00 C ATOM 1097 CD GLU A 71 12.160 -6.522 1.413 1.00 0.00 C ATOM 1098 OE1 GLU A 71 12.954 -6.701 0.460 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.474 -5.862 2.429 1.00 0.00 O ATOM 0 H GLU A 71 10.139 -10.969 2.242 1.00 0.00 H new ATOM 0 HA GLU A 71 8.970 -8.420 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.373 -8.785 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.113 -9.182 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.344 -6.963 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.090 -6.559 2.021 1.00 0.00 H new ATOM 1106 N VAL A 72 7.423 -7.923 0.954 1.00 0.00 N ATOM 1107 CA VAL A 72 6.314 -7.753 0.022 1.00 0.00 C ATOM 1108 C VAL A 72 6.819 -7.555 -1.414 1.00 0.00 C ATOM 1109 O VAL A 72 6.238 -8.120 -2.340 1.00 0.00 O ATOM 1110 CB VAL A 72 5.421 -6.600 0.528 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.442 -6.100 -0.537 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.633 -7.041 1.773 1.00 0.00 C ATOM 0 H VAL A 72 7.437 -7.227 1.699 1.00 0.00 H new ATOM 0 HA VAL A 72 5.706 -8.657 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 72 6.089 -5.776 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.840 -5.290 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.999 -5.736 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.789 -6.917 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.008 -6.218 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.003 -7.894 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.329 -7.324 2.563 1.00 0.00 H new ATOM 1122 N LEU A 73 7.903 -6.797 -1.616 1.00 0.00 N ATOM 1123 CA LEU A 73 8.425 -6.552 -2.960 1.00 0.00 C ATOM 1124 C LEU A 73 8.937 -7.855 -3.577 1.00 0.00 C ATOM 1125 O LEU A 73 8.656 -8.135 -4.743 1.00 0.00 O ATOM 1126 CB LEU A 73 9.544 -5.493 -2.941 1.00 0.00 C ATOM 1127 CG LEU A 73 9.117 -4.088 -2.466 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.318 -3.141 -2.528 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.972 -3.495 -3.297 1.00 0.00 C ATOM 0 H LEU A 73 8.431 -6.346 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 73 7.609 -6.167 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.346 -5.848 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.958 -5.408 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 73 8.755 -4.197 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.017 -2.149 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.111 -3.517 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.682 -3.082 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.718 -2.507 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.284 -3.411 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.100 -4.145 -3.231 1.00 0.00 H new ATOM 1141 N GLU A 74 9.650 -8.674 -2.798 1.00 0.00 N ATOM 1142 CA GLU A 74 10.165 -9.959 -3.257 1.00 0.00 C ATOM 1143 C GLU A 74 8.998 -10.922 -3.513 1.00 0.00 C ATOM 1144 O GLU A 74 8.980 -11.619 -4.527 1.00 0.00 O ATOM 1145 CB GLU A 74 11.141 -10.514 -2.202 1.00 0.00 C ATOM 1146 CG GLU A 74 11.918 -11.755 -2.665 1.00 0.00 C ATOM 1147 CD GLU A 74 12.946 -11.433 -3.768 1.00 0.00 C ATOM 1148 OE1 GLU A 74 14.092 -11.050 -3.442 1.00 0.00 O ATOM 1149 OE2 GLU A 74 12.629 -11.582 -4.969 1.00 0.00 O ATOM 0 H GLU A 74 9.885 -8.460 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 74 10.706 -9.839 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.851 -9.733 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.582 -10.763 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.433 -12.196 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.216 -12.502 -3.035 1.00 0.00 H new ATOM 1156 N TYR A 75 8.001 -10.925 -2.622 1.00 0.00 N ATOM 1157 CA TYR A 75 6.824 -11.772 -2.718 1.00 0.00 C ATOM 1158 C TYR A 75 6.065 -11.484 -4.012 1.00 0.00 C ATOM 1159 O TYR A 75 5.807 -12.402 -4.789 1.00 0.00 O ATOM 1160 CB TYR A 75 5.928 -11.547 -1.493 1.00 0.00 C ATOM 1161 CG TYR A 75 4.707 -12.444 -1.453 1.00 0.00 C ATOM 1162 CD1 TYR A 75 4.820 -13.751 -0.946 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.463 -11.982 -1.928 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.694 -14.589 -0.882 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.335 -12.820 -1.885 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.441 -14.124 -1.349 1.00 0.00 C ATOM 1167 OH TYR A 75 1.332 -14.917 -1.283 1.00 0.00 O ATOM 0 H TYR A 75 7.997 -10.323 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 75 7.132 -12.817 -2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.516 -11.710 -0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.603 -10.507 -1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.778 -14.113 -0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.376 -10.982 -2.326 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.784 -15.586 -0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.386 -12.467 -2.262 1.00 0.00 H new ATOM 0 HH TYR A 75 1.409 -15.524 -0.517 1.00 0.00 H new ATOM 1177 N LEU A 76 5.738 -10.215 -4.276 1.00 0.00 N ATOM 1178 CA LEU A 76 5.012 -9.823 -5.481 1.00 0.00 C ATOM 1179 C LEU A 76 5.883 -10.056 -6.715 1.00 0.00 C ATOM 1180 O LEU A 76 5.369 -10.425 -7.770 1.00 0.00 O ATOM 1181 CB LEU A 76 4.590 -8.345 -5.394 1.00 0.00 C ATOM 1182 CG LEU A 76 3.475 -8.049 -4.369 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.267 -6.535 -4.259 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.146 -8.713 -4.757 1.00 0.00 C ATOM 0 H LEU A 76 5.970 -9.435 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 76 4.113 -10.434 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.465 -7.746 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.255 -8.019 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 76 3.791 -8.462 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.479 -6.328 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.194 -6.063 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.980 -6.136 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.390 -8.478 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.823 -8.339 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.281 -9.793 -4.810 1.00 0.00 H new ATOM 1196 N GLY A 77 7.198 -9.867 -6.583 1.00 0.00 N ATOM 1197 CA GLY A 77 8.154 -10.037 -7.667 1.00 0.00 C ATOM 1198 C GLY A 77 8.350 -11.495 -8.095 1.00 0.00 C ATOM 1199 O GLY A 77 8.869 -11.722 -9.188 1.00 0.00 O ATOM 0 H GLY A 77 7.630 -9.587 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.820 -9.457 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.115 -9.626 -7.359 1.00 0.00 H new ATOM 1203 N ASN A 78 7.966 -12.480 -7.276 1.00 0.00 N ATOM 1204 CA ASN A 78 8.163 -13.898 -7.581 1.00 0.00 C ATOM 1205 C ASN A 78 7.150 -14.370 -8.639 1.00 0.00 C ATOM 1206 O ASN A 78 5.953 -14.418 -8.335 1.00 0.00 O ATOM 1207 CB ASN A 78 8.019 -14.735 -6.304 1.00 0.00 C ATOM 1208 CG ASN A 78 8.195 -16.223 -6.593 1.00 0.00 C ATOM 1209 OD1 ASN A 78 9.052 -16.624 -7.373 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.390 -17.075 -5.991 1.00 0.00 N ATOM 0 H ASN A 78 7.508 -12.314 -6.380 1.00 0.00 H new ATOM 0 HA ASN A 78 9.168 -14.030 -7.982 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.760 -14.415 -5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.038 -14.562 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.478 -18.075 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.679 -16.735 -5.343 1.00 0.00 H new ATOM 1217 N PRO A 79 7.572 -14.755 -9.859 1.00 0.00 N ATOM 1218 CA PRO A 79 6.646 -15.035 -10.954 1.00 0.00 C ATOM 1219 C PRO A 79 5.777 -16.275 -10.733 1.00 0.00 C ATOM 1220 O PRO A 79 4.696 -16.364 -11.317 1.00 0.00 O ATOM 1221 CB PRO A 79 7.500 -15.105 -12.219 1.00 0.00 C ATOM 1222 CG PRO A 79 8.865 -15.548 -11.697 1.00 0.00 C ATOM 1223 CD PRO A 79 8.945 -14.861 -10.335 1.00 0.00 C ATOM 0 HA PRO A 79 5.901 -14.243 -11.033 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.095 -15.816 -12.939 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.555 -14.139 -12.721 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.932 -16.632 -11.608 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.673 -15.232 -12.357 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.555 -15.439 -9.641 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.406 -13.877 -10.421 1.00 0.00 H new ATOM 1231 N ALA A 80 6.191 -17.200 -9.857 1.00 0.00 N ATOM 1232 CA ALA A 80 5.392 -18.373 -9.518 1.00 0.00 C ATOM 1233 C ALA A 80 4.099 -18.020 -8.759 1.00 0.00 C ATOM 1234 O ALA A 80 3.245 -18.897 -8.607 1.00 0.00 O ATOM 1235 CB ALA A 80 6.245 -19.364 -8.715 1.00 0.00 C ATOM 0 H ALA A 80 7.085 -17.152 -9.369 1.00 0.00 H new ATOM 0 HA ALA A 80 5.077 -18.835 -10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.646 -20.239 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.104 -19.672 -9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.592 -18.886 -7.799 1.00 0.00 H new ATOM 1241 N ASN A 81 3.930 -16.775 -8.283 1.00 0.00 N ATOM 1242 CA ASN A 81 2.741 -16.341 -7.542 1.00 0.00 C ATOM 1243 C ASN A 81 2.256 -14.949 -7.962 1.00 0.00 C ATOM 1244 O ASN A 81 1.663 -14.243 -7.149 1.00 0.00 O ATOM 1245 CB ASN A 81 2.947 -16.466 -6.017 1.00 0.00 C ATOM 1246 CG ASN A 81 4.003 -15.546 -5.407 1.00 0.00 C ATOM 1247 OD1 ASN A 81 5.034 -16.012 -4.932 1.00 0.00 O ATOM 1248 ND2 ASN A 81 3.777 -14.248 -5.375 1.00 0.00 N ATOM 0 H ASN A 81 4.623 -16.037 -8.405 1.00 0.00 H new ATOM 0 HA ASN A 81 1.935 -17.024 -7.810 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.995 -16.270 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.217 -17.497 -5.790 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.462 -13.621 -4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.917 -13.870 -5.772 1.00 0.00 H new ATOM 1255 N TYR A 82 2.492 -14.532 -9.210 1.00 0.00 N ATOM 1256 CA TYR A 82 1.978 -13.260 -9.725 1.00 0.00 C ATOM 1257 C TYR A 82 0.480 -13.011 -9.468 1.00 0.00 C ATOM 1258 O TYR A 82 0.178 -11.908 -9.013 1.00 0.00 O ATOM 1259 CB TYR A 82 2.298 -13.115 -11.220 1.00 0.00 C ATOM 1260 CG TYR A 82 3.676 -12.603 -11.607 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.640 -12.199 -10.657 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.960 -12.472 -12.979 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.862 -11.653 -11.086 1.00 0.00 C ATOM 1264 CE2 TYR A 82 5.178 -11.921 -13.413 1.00 0.00 C ATOM 1265 CZ TYR A 82 6.138 -11.504 -12.463 1.00 0.00 C ATOM 1266 OH TYR A 82 7.321 -10.955 -12.858 1.00 0.00 O ATOM 0 H TYR A 82 3.041 -15.062 -9.887 1.00 0.00 H new ATOM 0 HA TYR A 82 2.498 -12.491 -9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.160 -14.090 -11.687 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.558 -12.445 -11.657 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.438 -12.310 -9.602 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.233 -12.799 -13.708 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.596 -11.345 -10.356 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.380 -11.817 -14.469 1.00 0.00 H new ATOM 0 HH TYR A 82 7.357 -10.924 -13.837 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.466 -13.935 -9.740 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.876 -13.669 -9.471 1.00 0.00 C ATOM 1278 C PRO A 83 -2.121 -13.625 -7.956 1.00 0.00 C ATOM 1279 O PRO A 83 -1.887 -14.613 -7.253 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.660 -14.781 -10.174 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.657 -15.930 -10.275 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.313 -15.219 -10.411 1.00 0.00 C ATOM 0 HA PRO A 83 -2.200 -12.700 -9.849 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.542 -15.070 -9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.006 -14.465 -11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.686 -16.567 -9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.862 -16.568 -11.135 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.486 -15.804 -9.955 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.049 -15.082 -11.460 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.614 -12.491 -7.459 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.834 -12.210 -6.042 1.00 0.00 C ATOM 1292 C VAL A 84 -4.068 -11.316 -5.872 1.00 0.00 C ATOM 1293 O VAL A 84 -4.603 -10.776 -6.844 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.592 -11.524 -5.411 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.347 -12.420 -5.393 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.220 -10.197 -6.092 1.00 0.00 C ATOM 0 H VAL A 84 -2.882 -11.711 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.999 -13.157 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.903 -11.325 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.484 -11.880 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.554 -13.320 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.084 -12.699 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.344 -9.770 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.997 -10.378 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.055 -9.501 -6.013 1.00 0.00 H new ATOM 1306 N SER A 85 -4.486 -11.123 -4.627 1.00 0.00 N ATOM 1307 CA SER A 85 -5.485 -10.144 -4.225 1.00 0.00 C ATOM 1308 C SER A 85 -4.774 -9.230 -3.233 1.00 0.00 C ATOM 1309 O SER A 85 -4.017 -9.725 -2.395 1.00 0.00 O ATOM 1310 CB SER A 85 -6.696 -10.844 -3.597 1.00 0.00 C ATOM 1311 OG SER A 85 -7.257 -11.786 -4.497 1.00 0.00 O ATOM 0 H SER A 85 -4.124 -11.664 -3.842 1.00 0.00 H new ATOM 0 HA SER A 85 -5.875 -9.574 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.395 -11.347 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.448 -10.104 -3.323 1.00 0.00 H new ATOM 0 HG SER A 85 -8.027 -12.222 -4.076 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.972 -7.915 -3.326 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.271 -6.943 -2.491 1.00 0.00 C ATOM 1319 C ILE A 86 -5.324 -5.986 -1.951 1.00 0.00 C ATOM 1320 O ILE A 86 -6.223 -5.564 -2.684 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.148 -6.208 -3.273 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.213 -7.212 -3.992 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.346 -5.282 -2.333 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.024 -6.574 -4.720 1.00 0.00 C ATOM 0 H ILE A 86 -5.626 -7.494 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.758 -7.442 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.620 -5.592 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.833 -7.923 -3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.800 -7.781 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.564 -4.777 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.014 -4.540 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.892 -5.875 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.426 -7.353 -5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.390 -5.885 -5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.409 -6.029 -4.004 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.188 -5.638 -0.671 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.947 -4.592 -0.010 1.00 0.00 C ATOM 1338 C ARG A 87 -4.980 -3.441 0.211 1.00 0.00 C ATOM 1339 O ARG A 87 -3.858 -3.678 0.670 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.529 -5.125 1.310 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.434 -4.105 2.024 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.028 -4.666 3.324 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.961 -5.772 3.066 1.00 0.00 N ATOM 1344 CZ ARG A 87 -9.916 -6.235 3.877 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -10.173 -5.689 5.063 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -10.614 -7.278 3.451 1.00 0.00 N ATOM 0 H ARG A 87 -4.521 -6.097 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.795 -4.256 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.100 -6.031 1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.711 -5.405 1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.859 -3.206 2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.242 -3.809 1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.223 -5.014 3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.546 -3.871 3.859 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.869 -6.240 2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.631 -4.886 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.912 -6.073 5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.411 -7.690 2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.354 -7.669 4.034 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.425 -2.221 -0.065 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.663 -0.985 0.031 1.00 0.00 C ATOM 1362 C PHE A 88 -5.393 -0.031 0.970 1.00 0.00 C ATOM 1363 O PHE A 88 -6.600 -0.161 1.187 1.00 0.00 O ATOM 1364 CB PHE A 88 -4.542 -0.338 -1.359 1.00 0.00 C ATOM 1365 CG PHE A 88 -3.529 -0.982 -2.283 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -2.178 -0.602 -2.191 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -3.928 -1.916 -3.259 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -1.227 -1.161 -3.060 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -2.976 -2.458 -4.141 1.00 0.00 C ATOM 1370 CZ PHE A 88 -1.624 -2.086 -4.039 1.00 0.00 C ATOM 0 H PHE A 88 -6.382 -2.060 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.665 -1.198 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.519 -0.365 -1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.278 0.712 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.871 0.122 -1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.963 -2.215 -3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.188 -0.879 -2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.285 -3.162 -4.899 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.893 -2.510 -4.711 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.680 0.962 1.492 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.244 2.016 2.318 1.00 0.00 C ATOM 1382 C GLY A 89 -4.265 3.176 2.418 1.00 0.00 C ATOM 1383 O GLY A 89 -3.175 3.130 1.846 1.00 0.00 O ATOM 0 H GLY A 89 -3.675 1.055 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.186 2.360 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.467 1.630 3.313 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.644 4.248 3.113 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.702 5.325 3.405 1.00 0.00 C ATOM 1389 C ARG A 90 -2.693 4.801 4.443 1.00 0.00 C ATOM 1390 O ARG A 90 -3.076 3.982 5.284 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.446 6.577 3.910 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.121 7.376 2.780 1.00 0.00 C ATOM 1393 CD ARG A 90 -6.405 6.758 2.206 1.00 0.00 C ATOM 1394 NE ARG A 90 -6.847 7.477 0.998 1.00 0.00 N ATOM 1395 CZ ARG A 90 -7.758 8.453 0.917 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -8.400 8.882 2.001 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -8.019 8.998 -0.266 1.00 0.00 N ATOM 0 H ARG A 90 -5.585 4.392 3.480 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.170 5.624 2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.202 6.275 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.742 7.224 4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.354 8.373 3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.404 7.500 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.231 5.709 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.193 6.786 2.958 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.407 7.198 0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.200 8.466 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.092 9.627 1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.527 8.671 -1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.711 9.743 -0.343 1.00 0.00 H new