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 57 ASN : amide:sc= 0.776 K(o=2.6,f=-0.49) USER MOD Set 1.2: A 75 TYR OH : rot 130:sc= 0.491 USER MOD Set 1.3: A 81 ASN : amide:sc= 1.38 K(o=2.6,f=-0.49) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 4:sc= 0.46 USER MOD Single : A 24 TYR OH : rot 120:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0462) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.724 K(o=0.72,f=-5.7!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0744 X(o=-0.074,f=-0.56) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.527 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.25) USER MOD Single : A 78 ASN : amide:sc= 0.00196 K(o=0.002,f=-5.8!) 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 -8.763 -6.076 -4.075 1.00 0.00 N ATOM 291 CA LYS A 20 -8.907 -6.340 -5.510 1.00 0.00 C ATOM 292 C LYS A 20 -7.938 -7.460 -5.900 1.00 0.00 C ATOM 293 O LYS A 20 -7.034 -7.787 -5.127 1.00 0.00 O ATOM 294 CB LYS A 20 -8.612 -5.057 -6.321 1.00 0.00 C ATOM 295 CG LYS A 20 -9.617 -3.903 -6.150 1.00 0.00 C ATOM 296 CD LYS A 20 -11.015 -4.226 -6.704 1.00 0.00 C ATOM 297 CE LYS A 20 -12.012 -3.076 -6.485 1.00 0.00 C ATOM 298 NZ LYS A 20 -11.703 -1.871 -7.298 1.00 0.00 N ATOM 0 HA LYS A 20 -9.929 -6.649 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.622 -4.695 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.569 -5.321 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.701 -3.658 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.231 -3.016 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.940 -4.440 -7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.394 -5.128 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.016 -3.423 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.016 -2.803 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.410 -1.132 -7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.757 -1.518 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.726 -2.118 -8.308 1.00 0.00 H new ATOM 312 N THR A 21 -8.107 -8.027 -7.093 1.00 0.00 N ATOM 313 CA THR A 21 -7.319 -9.155 -7.590 1.00 0.00 C ATOM 314 C THR A 21 -6.357 -8.635 -8.667 1.00 0.00 C ATOM 315 O THR A 21 -6.717 -7.741 -9.439 1.00 0.00 O ATOM 316 CB THR A 21 -8.270 -10.250 -8.114 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.309 -10.506 -7.181 1.00 0.00 O ATOM 318 CG2 THR A 21 -7.552 -11.579 -8.372 1.00 0.00 C ATOM 0 H THR A 21 -8.812 -7.708 -7.757 1.00 0.00 H new ATOM 0 HA THR A 21 -6.722 -9.606 -6.797 1.00 0.00 H new ATOM 0 HB THR A 21 -8.670 -9.868 -9.053 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.901 -11.202 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.268 -12.314 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.769 -11.431 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.107 -11.938 -7.444 1.00 0.00 H new ATOM 326 N PHE A 22 -5.135 -9.175 -8.714 1.00 0.00 N ATOM 327 CA PHE A 22 -4.055 -8.723 -9.587 1.00 0.00 C ATOM 328 C PHE A 22 -3.273 -9.932 -10.109 1.00 0.00 C ATOM 329 O PHE A 22 -3.337 -11.031 -9.550 1.00 0.00 O ATOM 330 CB PHE A 22 -3.114 -7.780 -8.815 1.00 0.00 C ATOM 331 CG PHE A 22 -3.762 -6.528 -8.247 1.00 0.00 C ATOM 332 CD1 PHE A 22 -4.349 -6.551 -6.967 1.00 0.00 C ATOM 333 CD2 PHE A 22 -3.773 -5.334 -8.996 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.947 -5.392 -6.442 1.00 0.00 C ATOM 335 CE2 PHE A 22 -4.365 -4.173 -8.467 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.952 -4.201 -7.190 1.00 0.00 C ATOM 0 H PHE A 22 -4.865 -9.963 -8.126 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.481 -8.181 -10.432 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.662 -8.338 -7.995 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.304 -7.479 -9.480 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.340 -7.462 -6.387 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.326 -5.311 -9.979 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.403 -5.416 -5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.369 -3.259 -9.042 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.406 -3.309 -6.784 1.00 0.00 H new ATOM 346 N SER A 23 -2.516 -9.731 -11.184 1.00 0.00 N ATOM 347 CA SER A 23 -1.535 -10.657 -11.741 1.00 0.00 C ATOM 348 C SER A 23 -0.525 -9.822 -12.538 1.00 0.00 C ATOM 349 O SER A 23 -0.751 -8.626 -12.756 1.00 0.00 O ATOM 350 CB SER A 23 -2.222 -11.689 -12.646 1.00 0.00 C ATOM 351 OG SER A 23 -3.171 -12.454 -11.923 1.00 0.00 O ATOM 0 H SER A 23 -2.575 -8.866 -11.721 1.00 0.00 H new ATOM 0 HA SER A 23 -1.032 -11.209 -10.947 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.716 -11.179 -13.473 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.473 -12.351 -13.081 1.00 0.00 H new ATOM 0 HG SER A 23 -3.237 -12.113 -11.007 1.00 0.00 H new ATOM 357 N TYR A 24 0.575 -10.434 -12.988 1.00 0.00 N ATOM 358 CA TYR A 24 1.714 -9.733 -13.572 1.00 0.00 C ATOM 359 C TYR A 24 2.200 -10.492 -14.822 1.00 0.00 C ATOM 360 O TYR A 24 1.875 -11.677 -14.961 1.00 0.00 O ATOM 361 CB TYR A 24 2.823 -9.647 -12.505 1.00 0.00 C ATOM 362 CG TYR A 24 2.404 -9.060 -11.165 1.00 0.00 C ATOM 363 CD1 TYR A 24 1.808 -7.787 -11.101 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.583 -9.804 -9.981 1.00 0.00 C ATOM 365 CE1 TYR A 24 1.360 -7.273 -9.873 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.141 -9.295 -8.745 1.00 0.00 C ATOM 367 CZ TYR A 24 1.523 -8.025 -8.689 1.00 0.00 C ATOM 368 OH TYR A 24 1.098 -7.528 -7.496 1.00 0.00 O ATOM 0 H TYR A 24 0.697 -11.446 -12.954 1.00 0.00 H new ATOM 0 HA TYR A 24 1.435 -8.726 -13.881 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.217 -10.649 -12.335 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.640 -9.047 -12.904 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.694 -7.202 -12.001 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.062 -10.771 -10.022 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.890 -6.301 -9.834 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.274 -9.873 -7.842 1.00 0.00 H new ATOM 0 HH TYR A 24 0.425 -8.128 -7.113 1.00 0.00 H new ATOM 378 N PRO A 25 2.981 -9.868 -15.728 1.00 0.00 N ATOM 379 CA PRO A 25 3.277 -8.438 -15.774 1.00 0.00 C ATOM 380 C PRO A 25 2.013 -7.643 -16.135 1.00 0.00 C ATOM 381 O PRO A 25 1.201 -8.083 -16.954 1.00 0.00 O ATOM 382 CB PRO A 25 4.369 -8.284 -16.838 1.00 0.00 C ATOM 383 CG PRO A 25 4.114 -9.450 -17.792 1.00 0.00 C ATOM 384 CD PRO A 25 3.582 -10.546 -16.869 1.00 0.00 C ATOM 0 HA PRO A 25 3.612 -8.051 -14.812 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.296 -7.325 -17.350 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.365 -8.336 -16.399 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.391 -9.188 -18.564 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.026 -9.760 -18.302 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.847 -11.165 -17.384 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.387 -11.208 -16.548 1.00 0.00 H new ATOM 392 N LEU A 26 1.846 -6.477 -15.505 1.00 0.00 N ATOM 393 CA LEU A 26 0.742 -5.549 -15.753 1.00 0.00 C ATOM 394 C LEU A 26 1.144 -4.181 -15.206 1.00 0.00 C ATOM 395 O LEU A 26 1.224 -3.207 -15.951 1.00 0.00 O ATOM 396 CB LEU A 26 -0.541 -6.057 -15.057 1.00 0.00 C ATOM 397 CG LEU A 26 -1.743 -5.094 -15.147 1.00 0.00 C ATOM 398 CD1 LEU A 26 -2.162 -4.812 -16.596 1.00 0.00 C ATOM 399 CD2 LEU A 26 -2.931 -5.693 -14.385 1.00 0.00 C ATOM 0 H LEU A 26 2.493 -6.145 -14.790 1.00 0.00 H new ATOM 0 HA LEU A 26 0.537 -5.476 -16.821 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.824 -7.013 -15.498 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.319 -6.244 -14.006 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.437 -4.147 -14.704 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.012 -4.129 -16.603 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.329 -4.360 -17.134 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.444 -5.746 -17.082 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.782 -5.015 -14.447 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.199 -6.653 -14.826 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.657 -5.838 -13.340 1.00 0.00 H new ATOM 411 N ASP A 27 1.451 -4.136 -13.908 1.00 0.00 N ATOM 412 CA ASP A 27 1.933 -2.974 -13.171 1.00 0.00 C ATOM 413 C ASP A 27 2.567 -3.503 -11.887 1.00 0.00 C ATOM 414 O ASP A 27 1.984 -4.373 -11.238 1.00 0.00 O ATOM 415 CB ASP A 27 0.763 -2.044 -12.811 1.00 0.00 C ATOM 416 CG ASP A 27 1.147 -1.024 -11.726 1.00 0.00 C ATOM 417 OD1 ASP A 27 2.252 -0.445 -11.803 1.00 0.00 O ATOM 418 OD2 ASP A 27 0.337 -0.802 -10.797 1.00 0.00 O ATOM 0 H ASP A 27 1.364 -4.959 -13.312 1.00 0.00 H new ATOM 0 HA ASP A 27 2.645 -2.407 -13.771 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.433 -1.515 -13.705 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.081 -2.641 -12.464 1.00 0.00 H new ATOM 423 N LEU A 28 3.742 -2.989 -11.519 1.00 0.00 N ATOM 424 CA LEU A 28 4.391 -3.253 -10.235 1.00 0.00 C ATOM 425 C LEU A 28 5.139 -1.989 -9.778 1.00 0.00 C ATOM 426 O LEU A 28 6.200 -2.072 -9.160 1.00 0.00 O ATOM 427 CB LEU A 28 5.299 -4.499 -10.349 1.00 0.00 C ATOM 428 CG LEU A 28 5.661 -5.153 -8.994 1.00 0.00 C ATOM 429 CD1 LEU A 28 4.460 -5.849 -8.338 1.00 0.00 C ATOM 430 CD2 LEU A 28 6.763 -6.200 -9.201 1.00 0.00 C ATOM 0 H LEU A 28 4.280 -2.364 -12.119 1.00 0.00 H new ATOM 0 HA LEU A 28 3.652 -3.483 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.801 -5.240 -10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.220 -4.217 -10.860 1.00 0.00 H new ATOM 0 HG LEU A 28 5.996 -4.350 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.769 -6.291 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.670 -5.119 -8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.087 -6.631 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.014 -6.658 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.410 -6.968 -9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.648 -5.719 -9.617 1.00 0.00 H new ATOM 442 N LEU A 29 4.628 -0.800 -10.131 1.00 0.00 N ATOM 443 CA LEU A 29 5.201 0.492 -9.754 1.00 0.00 C ATOM 444 C LEU A 29 4.862 0.797 -8.289 1.00 0.00 C ATOM 445 O LEU A 29 4.080 1.699 -7.975 1.00 0.00 O ATOM 446 CB LEU A 29 4.760 1.605 -10.727 1.00 0.00 C ATOM 447 CG LEU A 29 5.224 1.387 -12.185 1.00 0.00 C ATOM 448 CD1 LEU A 29 4.679 2.490 -13.098 1.00 0.00 C ATOM 449 CD2 LEU A 29 6.753 1.352 -12.322 1.00 0.00 C ATOM 0 H LEU A 29 3.786 -0.713 -10.699 1.00 0.00 H new ATOM 0 HA LEU A 29 6.287 0.447 -9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.673 1.678 -10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.149 2.559 -10.372 1.00 0.00 H new ATOM 0 HG LEU A 29 4.830 0.416 -12.484 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.018 2.317 -14.120 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.589 2.480 -13.070 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.042 3.459 -12.755 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.021 1.196 -13.367 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.171 2.298 -11.977 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.154 0.537 -11.719 1.00 0.00 H new ATOM 461 N LEU A 30 5.465 0.023 -7.390 1.00 0.00 N ATOM 462 CA LEU A 30 5.440 0.177 -5.941 1.00 0.00 C ATOM 463 C LEU A 30 6.889 0.391 -5.488 1.00 0.00 C ATOM 464 O LEU A 30 7.814 -0.059 -6.173 1.00 0.00 O ATOM 465 CB LEU A 30 4.890 -1.083 -5.238 1.00 0.00 C ATOM 466 CG LEU A 30 3.434 -1.539 -5.475 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.421 -0.406 -5.305 1.00 0.00 C ATOM 468 CD2 LEU A 30 3.223 -2.215 -6.834 1.00 0.00 C ATOM 0 H LEU A 30 6.021 -0.783 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 30 4.792 1.014 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.537 -1.915 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.009 -0.931 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 30 3.256 -2.282 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.416 -0.787 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.484 -0.011 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.640 0.388 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.179 -2.510 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.482 -1.518 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.858 -3.098 -6.904 1.00 0.00 H new ATOM 480 N LYS A 31 7.110 1.030 -4.334 1.00 0.00 N ATOM 481 CA LYS A 31 8.441 1.131 -3.722 1.00 0.00 C ATOM 482 C LYS A 31 8.350 0.919 -2.218 1.00 0.00 C ATOM 483 O LYS A 31 7.305 1.182 -1.624 1.00 0.00 O ATOM 484 CB LYS A 31 9.148 2.454 -4.098 1.00 0.00 C ATOM 485 CG LYS A 31 8.835 3.708 -3.256 1.00 0.00 C ATOM 486 CD LYS A 31 7.372 4.178 -3.307 1.00 0.00 C ATOM 487 CE LYS A 31 7.136 5.498 -2.549 1.00 0.00 C ATOM 488 NZ LYS A 31 7.855 6.659 -3.142 1.00 0.00 N ATOM 0 H LYS A 31 6.374 1.491 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 31 9.067 0.335 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.223 2.282 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.904 2.680 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.100 3.505 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.474 4.523 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.073 4.305 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.733 3.403 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.067 5.712 -2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.453 5.375 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.549 7.534 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.880 6.536 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.639 6.719 -4.158 1.00 0.00 H new ATOM 502 N LEU A 32 9.439 0.457 -1.604 1.00 0.00 N ATOM 503 CA LEU A 32 9.535 0.303 -0.156 1.00 0.00 C ATOM 504 C LEU A 32 9.885 1.677 0.414 1.00 0.00 C ATOM 505 O LEU A 32 10.886 2.270 0.004 1.00 0.00 O ATOM 506 CB LEU A 32 10.593 -0.765 0.180 1.00 0.00 C ATOM 507 CG LEU A 32 10.373 -1.506 1.511 1.00 0.00 C ATOM 508 CD1 LEU A 32 11.265 -2.753 1.512 1.00 0.00 C ATOM 509 CD2 LEU A 32 10.692 -0.645 2.739 1.00 0.00 C ATOM 0 H LEU A 32 10.284 0.178 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 32 8.599 -0.040 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.616 -1.498 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.573 -0.288 0.205 1.00 0.00 H new ATOM 0 HG LEU A 32 9.317 -1.766 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.128 -3.298 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.993 -3.395 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.309 -2.454 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.517 -1.225 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.736 -0.333 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.050 0.236 2.742 1.00 0.00 H new ATOM 521 N HIS A 33 9.060 2.201 1.318 1.00 0.00 N ATOM 522 CA HIS A 33 9.227 3.511 1.932 1.00 0.00 C ATOM 523 C HIS A 33 8.469 3.510 3.257 1.00 0.00 C ATOM 524 O HIS A 33 7.417 2.876 3.353 1.00 0.00 O ATOM 525 CB HIS A 33 8.679 4.600 0.996 1.00 0.00 C ATOM 526 CG HIS A 33 8.946 6.002 1.489 1.00 0.00 C ATOM 527 ND1 HIS A 33 10.116 6.712 1.331 1.00 0.00 N ATOM 528 CD2 HIS A 33 8.083 6.800 2.194 1.00 0.00 C ATOM 529 CE1 HIS A 33 9.961 7.908 1.923 1.00 0.00 C ATOM 530 NE2 HIS A 33 8.733 8.013 2.466 1.00 0.00 N ATOM 0 H HIS A 33 8.232 1.708 1.652 1.00 0.00 H new ATOM 0 HA HIS A 33 10.282 3.720 2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.125 4.479 0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.604 4.462 0.880 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.077 6.540 2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.717 8.679 1.959 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.353 8.813 2.972 1.00 0.00 H new ATOM 538 N ASP A 34 8.985 4.214 4.269 1.00 0.00 N ATOM 539 CA ASP A 34 8.374 4.327 5.600 1.00 0.00 C ATOM 540 C ASP A 34 8.106 2.943 6.224 1.00 0.00 C ATOM 541 O ASP A 34 7.083 2.708 6.864 1.00 0.00 O ATOM 542 CB ASP A 34 7.143 5.251 5.535 1.00 0.00 C ATOM 543 CG ASP A 34 6.512 5.499 6.912 1.00 0.00 C ATOM 544 OD1 ASP A 34 7.229 5.897 7.859 1.00 0.00 O ATOM 545 OD2 ASP A 34 5.280 5.324 7.045 1.00 0.00 O ATOM 0 H ASP A 34 9.859 4.733 4.185 1.00 0.00 H new ATOM 0 HA ASP A 34 9.077 4.800 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.434 6.206 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.398 4.810 4.873 1.00 0.00 H new ATOM 550 N GLU A 35 9.035 2.002 5.992 1.00 0.00 N ATOM 551 CA GLU A 35 8.962 0.590 6.396 1.00 0.00 C ATOM 552 C GLU A 35 7.665 -0.105 5.937 1.00 0.00 C ATOM 553 O GLU A 35 7.234 -1.100 6.521 1.00 0.00 O ATOM 554 CB GLU A 35 9.215 0.444 7.914 1.00 0.00 C ATOM 555 CG GLU A 35 10.587 0.945 8.399 1.00 0.00 C ATOM 556 CD GLU A 35 11.725 -0.044 8.098 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.911 -0.428 6.923 1.00 0.00 O ATOM 558 OE2 GLU A 35 12.453 -0.436 9.040 1.00 0.00 O ATOM 0 H GLU A 35 9.899 2.216 5.494 1.00 0.00 H new ATOM 0 HA GLU A 35 9.761 0.062 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.437 0.988 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.113 -0.607 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.808 1.901 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.544 1.125 9.473 1.00 0.00 H new ATOM 565 N ARG A 36 7.055 0.402 4.866 1.00 0.00 N ATOM 566 CA ARG A 36 5.874 -0.115 4.190 1.00 0.00 C ATOM 567 C ARG A 36 6.212 -0.223 2.705 1.00 0.00 C ATOM 568 O ARG A 36 7.336 0.070 2.294 1.00 0.00 O ATOM 569 CB ARG A 36 4.709 0.862 4.457 1.00 0.00 C ATOM 570 CG ARG A 36 4.096 0.658 5.850 1.00 0.00 C ATOM 571 CD ARG A 36 3.210 1.844 6.258 1.00 0.00 C ATOM 572 NE ARG A 36 3.914 2.783 7.150 1.00 0.00 N ATOM 573 CZ ARG A 36 4.097 2.652 8.469 1.00 0.00 C ATOM 574 NH1 ARG A 36 3.620 1.614 9.149 1.00 0.00 N ATOM 575 NH2 ARG A 36 4.745 3.604 9.115 1.00 0.00 N ATOM 0 H ARG A 36 7.403 1.249 4.417 1.00 0.00 H new ATOM 0 HA ARG A 36 5.576 -1.100 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.067 1.887 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.939 0.724 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.505 -0.258 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.892 0.529 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.879 2.373 5.364 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.315 1.472 6.758 1.00 0.00 H new ATOM 0 HE ARG A 36 4.302 3.620 6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.095 0.885 8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.779 1.547 10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.094 4.418 8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.896 3.526 10.121 1.00 0.00 H new ATOM 589 N VAL A 37 5.246 -0.627 1.886 1.00 0.00 N ATOM 590 CA VAL A 37 5.357 -0.574 0.438 1.00 0.00 C ATOM 591 C VAL A 37 4.207 0.313 -0.017 1.00 0.00 C ATOM 592 O VAL A 37 3.061 0.109 0.397 1.00 0.00 O ATOM 593 CB VAL A 37 5.365 -1.998 -0.153 1.00 0.00 C ATOM 594 CG1 VAL A 37 5.257 -1.986 -1.682 1.00 0.00 C ATOM 595 CG2 VAL A 37 6.672 -2.715 0.224 1.00 0.00 C ATOM 0 H VAL A 37 4.357 -1.003 2.215 1.00 0.00 H new ATOM 0 HA VAL A 37 6.294 -0.146 0.082 1.00 0.00 H new ATOM 0 HB VAL A 37 4.500 -2.518 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.266 -3.010 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.327 -1.501 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.101 -1.439 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.670 -3.720 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.520 -2.157 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.753 -2.776 1.309 1.00 0.00 H new ATOM 605 N LEU A 38 4.537 1.325 -0.820 1.00 0.00 N ATOM 606 CA LEU A 38 3.629 2.384 -1.234 1.00 0.00 C ATOM 607 C LEU A 38 3.570 2.423 -2.754 1.00 0.00 C ATOM 608 O LEU A 38 4.514 2.004 -3.429 1.00 0.00 O ATOM 609 CB LEU A 38 4.086 3.769 -0.727 1.00 0.00 C ATOM 610 CG LEU A 38 4.365 3.926 0.778 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.710 5.387 1.090 1.00 0.00 C ATOM 612 CD2 LEU A 38 3.190 3.510 1.658 1.00 0.00 C ATOM 0 H LEU A 38 5.474 1.429 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 38 2.650 2.168 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.994 4.040 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.322 4.496 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 38 5.199 3.262 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.907 5.495 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.596 5.680 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.873 6.026 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.455 3.646 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.322 4.125 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.953 2.462 1.477 1.00 0.00 H new ATOM 624 N VAL A 39 2.487 2.980 -3.287 1.00 0.00 N ATOM 625 CA VAL A 39 2.325 3.272 -4.705 1.00 0.00 C ATOM 626 C VAL A 39 3.431 4.248 -5.128 1.00 0.00 C ATOM 627 O VAL A 39 3.501 5.358 -4.593 1.00 0.00 O ATOM 628 CB VAL A 39 0.906 3.829 -4.945 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.690 4.195 -6.417 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.184 2.825 -4.541 1.00 0.00 C ATOM 0 H VAL A 39 1.677 3.248 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 39 2.424 2.375 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 39 0.827 4.720 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.319 4.584 -6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.414 4.954 -6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.822 3.307 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.166 3.260 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.074 1.913 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.087 2.589 -3.481 1.00 0.00 H new ATOM 640 N ALA A 40 4.271 3.843 -6.090 1.00 0.00 N ATOM 641 CA ALA A 40 5.309 4.689 -6.675 1.00 0.00 C ATOM 642 C ALA A 40 4.772 5.485 -7.865 1.00 0.00 C ATOM 643 O ALA A 40 5.242 6.595 -8.116 1.00 0.00 O ATOM 644 CB ALA A 40 6.502 3.835 -7.128 1.00 0.00 C ATOM 0 H ALA A 40 4.245 2.904 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 40 5.634 5.391 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.267 4.479 -7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.917 3.306 -6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.170 3.113 -7.874 1.00 0.00 H new ATOM 650 N PHE A 41 3.775 4.946 -8.575 1.00 0.00 N ATOM 651 CA PHE A 41 3.038 5.654 -9.613 1.00 0.00 C ATOM 652 C PHE A 41 1.600 5.141 -9.619 1.00 0.00 C ATOM 653 O PHE A 41 1.367 3.933 -9.683 1.00 0.00 O ATOM 654 CB PHE A 41 3.690 5.447 -10.985 1.00 0.00 C ATOM 655 CG PHE A 41 2.988 6.210 -12.093 1.00 0.00 C ATOM 656 CD1 PHE A 41 3.243 7.584 -12.273 1.00 0.00 C ATOM 657 CD2 PHE A 41 2.044 5.563 -12.916 1.00 0.00 C ATOM 658 CE1 PHE A 41 2.564 8.304 -13.273 1.00 0.00 C ATOM 659 CE2 PHE A 41 1.364 6.286 -13.913 1.00 0.00 C ATOM 660 CZ PHE A 41 1.624 7.655 -14.093 1.00 0.00 C ATOM 0 H PHE A 41 3.456 3.987 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 41 3.050 6.724 -9.405 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.732 5.762 -10.938 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.689 4.384 -11.226 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.961 8.086 -11.642 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.842 4.511 -12.781 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.765 9.356 -13.411 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.641 5.788 -14.541 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.103 8.208 -14.860 1.00 0.00 H new ATOM 780 N VAL A 49 -0.392 7.816 -5.708 1.00 0.00 N ATOM 781 CA VAL A 49 0.940 7.794 -5.103 1.00 0.00 C ATOM 782 C VAL A 49 0.862 8.065 -3.596 1.00 0.00 C ATOM 783 O VAL A 49 0.130 8.959 -3.160 1.00 0.00 O ATOM 784 CB VAL A 49 1.895 8.776 -5.822 1.00 0.00 C ATOM 785 CG1 VAL A 49 2.294 8.228 -7.196 1.00 0.00 C ATOM 786 CG2 VAL A 49 1.327 10.193 -6.013 1.00 0.00 C ATOM 0 HA VAL A 49 1.356 6.794 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 49 2.758 8.861 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.966 8.932 -7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.799 7.270 -7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.401 8.092 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.062 10.814 -6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.416 10.143 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.099 10.628 -5.040 1.00 0.00 H new ATOM 796 N GLY A 50 1.590 7.277 -2.803 1.00 0.00 N ATOM 797 CA GLY A 50 1.628 7.416 -1.352 1.00 0.00 C ATOM 798 C GLY A 50 0.620 6.527 -0.614 1.00 0.00 C ATOM 799 O GLY A 50 0.753 6.377 0.600 1.00 0.00 O ATOM 0 H GLY A 50 2.174 6.519 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.632 7.178 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.437 8.457 -1.092 1.00 0.00 H new ATOM 803 N HIS A 51 -0.364 5.924 -1.299 1.00 0.00 N ATOM 804 CA HIS A 51 -1.205 4.898 -0.676 1.00 0.00 C ATOM 805 C HIS A 51 -0.324 3.680 -0.395 1.00 0.00 C ATOM 806 O HIS A 51 0.670 3.460 -1.092 1.00 0.00 O ATOM 807 CB HIS A 51 -2.412 4.522 -1.551 1.00 0.00 C ATOM 808 CG HIS A 51 -3.506 5.559 -1.521 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.514 6.733 -2.232 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.648 5.542 -0.762 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.629 7.411 -1.915 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.365 6.719 -1.026 1.00 0.00 N ATOM 0 H HIS A 51 -0.593 6.128 -2.272 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.623 5.288 0.252 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.079 4.383 -2.579 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.815 3.567 -1.214 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -2.796 7.038 -2.889 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.944 4.759 -0.080 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.897 8.377 -2.317 1.00 0.00 H new ATOM 820 N ALA A 52 -0.695 2.887 0.605 1.00 0.00 N ATOM 821 CA ALA A 52 0.103 1.810 1.161 1.00 0.00 C ATOM 822 C ALA A 52 -0.614 0.483 0.985 1.00 0.00 C ATOM 823 O ALA A 52 -1.845 0.428 1.055 1.00 0.00 O ATOM 824 CB ALA A 52 0.298 2.063 2.663 1.00 0.00 C ATOM 0 H ALA A 52 -1.599 2.985 1.067 1.00 0.00 H new ATOM 0 HA ALA A 52 1.063 1.775 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.897 1.260 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.810 3.014 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.674 2.095 3.156 1.00 0.00 H new ATOM 830 N VAL A 53 0.158 -0.583 0.782 1.00 0.00 N ATOM 831 CA VAL A 53 -0.362 -1.941 0.826 1.00 0.00 C ATOM 832 C VAL A 53 -0.740 -2.191 2.293 1.00 0.00 C ATOM 833 O VAL A 53 0.015 -1.821 3.196 1.00 0.00 O ATOM 834 CB VAL A 53 0.705 -2.938 0.325 1.00 0.00 C ATOM 835 CG1 VAL A 53 0.198 -4.385 0.408 1.00 0.00 C ATOM 836 CG2 VAL A 53 1.117 -2.657 -1.129 1.00 0.00 C ATOM 0 H VAL A 53 1.157 -0.526 0.583 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.228 -2.076 0.178 1.00 0.00 H new ATOM 0 HB VAL A 53 1.569 -2.807 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.972 -5.063 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.044 -4.627 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.695 -4.494 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.869 -3.382 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.244 -2.739 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.530 -1.651 -1.202 1.00 0.00 H new ATOM 846 N LEU A 54 -1.886 -2.832 2.531 1.00 0.00 N ATOM 847 CA LEU A 54 -2.383 -3.171 3.863 1.00 0.00 C ATOM 848 C LEU A 54 -2.596 -4.676 4.001 1.00 0.00 C ATOM 849 O LEU A 54 -2.411 -5.189 5.104 1.00 0.00 O ATOM 850 CB LEU A 54 -3.680 -2.413 4.191 1.00 0.00 C ATOM 851 CG LEU A 54 -3.550 -0.880 4.301 1.00 0.00 C ATOM 852 CD1 LEU A 54 -4.909 -0.317 4.725 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.487 -0.408 5.301 1.00 0.00 C ATOM 0 H LEU A 54 -2.509 -3.137 1.783 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.623 -2.862 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.417 -2.642 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.073 -2.794 5.133 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.232 -0.517 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.843 0.768 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.660 -0.578 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.193 -0.740 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.461 0.682 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.733 -0.779 6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.511 -0.790 5.002 1.00 0.00 H new ATOM 865 N ALA A 55 -2.905 -5.412 2.925 1.00 0.00 N ATOM 866 CA ALA A 55 -2.894 -6.876 2.971 1.00 0.00 C ATOM 867 C ALA A 55 -2.566 -7.452 1.599 1.00 0.00 C ATOM 868 O ALA A 55 -2.798 -6.788 0.589 1.00 0.00 O ATOM 869 CB ALA A 55 -4.233 -7.438 3.472 1.00 0.00 C ATOM 0 H ALA A 55 -3.163 -5.019 2.020 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.119 -7.174 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.186 -8.527 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.431 -7.065 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.033 -7.122 2.803 1.00 0.00 H new ATOM 875 N ILE A 56 -2.088 -8.696 1.563 1.00 0.00 N ATOM 876 CA ILE A 56 -1.862 -9.476 0.347 1.00 0.00 C ATOM 877 C ILE A 56 -2.295 -10.903 0.672 1.00 0.00 C ATOM 878 O ILE A 56 -1.924 -11.425 1.720 1.00 0.00 O ATOM 879 CB ILE A 56 -0.376 -9.474 -0.088 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.206 -8.054 -0.239 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.233 -10.249 -1.416 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.725 -8.050 -0.405 1.00 0.00 C ATOM 0 H ILE A 56 -1.839 -9.206 2.410 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.426 -9.043 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 56 0.195 -9.961 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.250 -7.569 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.061 -7.462 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.812 -10.250 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.571 -11.276 -1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.839 -9.769 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.077 -7.023 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.188 -8.507 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.995 -8.616 -1.296 1.00 0.00 H new ATOM 894 N ASN A 57 -3.041 -11.554 -0.222 1.00 0.00 N ATOM 895 CA ASN A 57 -3.534 -12.931 -0.089 1.00 0.00 C ATOM 896 C ASN A 57 -4.236 -13.175 1.261 1.00 0.00 C ATOM 897 O ASN A 57 -4.223 -14.290 1.787 1.00 0.00 O ATOM 898 CB ASN A 57 -2.398 -13.942 -0.366 1.00 0.00 C ATOM 899 CG ASN A 57 -1.824 -13.872 -1.779 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.484 -13.437 -2.721 1.00 0.00 O ATOM 901 ND2 ASN A 57 -0.581 -14.294 -1.948 1.00 0.00 N ATOM 0 H ASN A 57 -3.332 -11.119 -1.098 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.302 -13.087 -0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.593 -13.771 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.773 -14.950 -0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.153 -14.262 -2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.051 -14.651 -1.153 1.00 0.00 H new ATOM 908 N GLY A 58 -4.817 -12.123 1.850 1.00 0.00 N ATOM 909 CA GLY A 58 -5.492 -12.159 3.145 1.00 0.00 C ATOM 910 C GLY A 58 -4.547 -11.958 4.337 1.00 0.00 C ATOM 911 O GLY A 58 -5.025 -11.745 5.453 1.00 0.00 O ATOM 0 H GLY A 58 -4.829 -11.197 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.260 -11.386 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.001 -13.117 3.253 1.00 0.00 H new ATOM 915 N MET A 59 -3.226 -11.997 4.130 1.00 0.00 N ATOM 916 CA MET A 59 -2.236 -11.660 5.143 1.00 0.00 C ATOM 917 C MET A 59 -2.141 -10.141 5.241 1.00 0.00 C ATOM 918 O MET A 59 -1.618 -9.488 4.336 1.00 0.00 O ATOM 919 CB MET A 59 -0.851 -12.222 4.789 1.00 0.00 C ATOM 920 CG MET A 59 -0.782 -13.750 4.792 1.00 0.00 C ATOM 921 SD MET A 59 0.907 -14.373 4.554 1.00 0.00 S ATOM 922 CE MET A 59 0.578 -16.157 4.588 1.00 0.00 C ATOM 0 H MET A 59 -2.814 -12.269 3.237 1.00 0.00 H new ATOM 0 HA MET A 59 -2.548 -12.098 6.091 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.563 -11.857 3.803 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.120 -11.834 5.498 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.174 -14.126 5.737 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.424 -14.141 4.002 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.513 -16.702 4.455 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.134 -16.427 5.546 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.110 -16.415 3.783 1.00 0.00 H new ATOM 932 N ASP A 60 -2.656 -9.573 6.328 1.00 0.00 N ATOM 933 CA ASP A 60 -2.450 -8.169 6.678 1.00 0.00 C ATOM 934 C ASP A 60 -0.939 -7.954 6.826 1.00 0.00 C ATOM 935 O ASP A 60 -0.289 -8.690 7.576 1.00 0.00 O ATOM 936 CB ASP A 60 -3.203 -7.846 7.969 1.00 0.00 C ATOM 937 CG ASP A 60 -3.122 -6.353 8.295 1.00 0.00 C ATOM 938 OD1 ASP A 60 -2.090 -5.889 8.824 1.00 0.00 O ATOM 939 OD2 ASP A 60 -4.117 -5.634 8.058 1.00 0.00 O ATOM 0 H ASP A 60 -3.234 -10.079 6.998 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.836 -7.501 5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.247 -8.143 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.784 -8.424 8.792 1.00 0.00 H new ATOM 944 N VAL A 61 -0.351 -7.037 6.054 1.00 0.00 N ATOM 945 CA VAL A 61 1.102 -6.928 5.977 1.00 0.00 C ATOM 946 C VAL A 61 1.662 -6.241 7.227 1.00 0.00 C ATOM 947 O VAL A 61 1.136 -5.231 7.703 1.00 0.00 O ATOM 948 CB VAL A 61 1.576 -6.270 4.657 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.162 -7.118 3.442 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.102 -4.828 4.442 1.00 0.00 C ATOM 0 H VAL A 61 -0.857 -6.365 5.478 1.00 0.00 H new ATOM 0 HA VAL A 61 1.512 -7.938 5.956 1.00 0.00 H new ATOM 0 HB VAL A 61 2.661 -6.227 4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.506 -6.635 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.610 -8.109 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.076 -7.212 3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.486 -4.457 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.012 -4.801 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.471 -4.199 5.252 1.00 0.00 H new ATOM 960 N ASN A 62 2.760 -6.790 7.743 1.00 0.00 N ATOM 961 CA ASN A 62 3.596 -6.203 8.779 1.00 0.00 C ATOM 962 C ASN A 62 4.481 -5.162 8.082 1.00 0.00 C ATOM 963 O ASN A 62 5.685 -5.358 7.891 1.00 0.00 O ATOM 964 CB ASN A 62 4.419 -7.295 9.485 1.00 0.00 C ATOM 965 CG ASN A 62 5.386 -6.710 10.515 1.00 0.00 C ATOM 966 OD1 ASN A 62 5.125 -5.675 11.126 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.514 -7.361 10.746 1.00 0.00 N ATOM 0 H ASN A 62 3.104 -7.699 7.433 1.00 0.00 H new ATOM 0 HA ASN A 62 3.004 -5.724 9.559 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.744 -7.995 9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.980 -7.862 8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.176 -7.005 11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.722 -8.219 10.234 1.00 0.00 H new ATOM 974 N GLY A 63 3.844 -4.098 7.590 1.00 0.00 N ATOM 975 CA GLY A 63 4.461 -3.064 6.779 1.00 0.00 C ATOM 976 C GLY A 63 5.102 -3.652 5.524 1.00 0.00 C ATOM 977 O GLY A 63 4.407 -4.044 4.589 1.00 0.00 O ATOM 0 H GLY A 63 2.851 -3.933 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.711 -2.326 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.217 -2.542 7.365 1.00 0.00 H new ATOM 981 N ARG A 64 6.434 -3.694 5.496 1.00 0.00 N ATOM 982 CA ARG A 64 7.226 -4.166 4.362 1.00 0.00 C ATOM 983 C ARG A 64 7.254 -5.689 4.275 1.00 0.00 C ATOM 984 O ARG A 64 7.719 -6.211 3.264 1.00 0.00 O ATOM 985 CB ARG A 64 8.649 -3.576 4.424 1.00 0.00 C ATOM 986 CG ARG A 64 9.460 -4.042 5.648 1.00 0.00 C ATOM 987 CD ARG A 64 10.799 -3.311 5.816 1.00 0.00 C ATOM 988 NE ARG A 64 11.832 -3.769 4.873 1.00 0.00 N ATOM 989 CZ ARG A 64 13.016 -3.182 4.658 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.357 -2.043 5.254 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.863 -3.765 3.822 1.00 0.00 N ATOM 0 H ARG A 64 7.007 -3.392 6.284 1.00 0.00 H new ATOM 0 HA ARG A 64 6.746 -3.814 3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.187 -3.851 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.581 -2.488 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.861 -3.895 6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.649 -5.112 5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.641 -2.241 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.158 -3.453 6.835 1.00 0.00 H new ATOM 0 HE ARG A 64 11.627 -4.610 4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.708 -1.590 5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.267 -1.623 5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.606 -4.638 3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.772 -3.341 3.639 1.00 0.00 H new ATOM 1005 N TYR A 65 6.778 -6.404 5.295 1.00 0.00 N ATOM 1006 CA TYR A 65 6.785 -7.862 5.330 1.00 0.00 C ATOM 1007 C TYR A 65 5.349 -8.379 5.354 1.00 0.00 C ATOM 1008 O TYR A 65 4.451 -7.674 5.805 1.00 0.00 O ATOM 1009 CB TYR A 65 7.560 -8.351 6.563 1.00 0.00 C ATOM 1010 CG TYR A 65 8.975 -7.814 6.684 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.953 -8.184 5.741 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.313 -6.932 7.730 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.253 -7.655 5.817 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.621 -6.422 7.833 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.598 -6.778 6.872 1.00 0.00 C ATOM 1016 OH TYR A 65 12.856 -6.264 6.971 1.00 0.00 O ATOM 0 H TYR A 65 6.372 -5.979 6.129 1.00 0.00 H new ATOM 0 HA TYR A 65 7.280 -8.247 4.438 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.004 -8.072 7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.601 -9.440 6.540 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.702 -8.879 4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.566 -6.646 8.455 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.988 -7.918 5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.879 -5.759 8.645 1.00 0.00 H new ATOM 0 HH TYR A 65 12.910 -5.681 7.757 1.00 0.00 H new ATOM 1026 N THR A 66 5.102 -9.603 4.898 1.00 0.00 N ATOM 1027 CA THR A 66 3.813 -10.258 5.080 1.00 0.00 C ATOM 1028 C THR A 66 3.632 -10.643 6.554 1.00 0.00 C ATOM 1029 O THR A 66 4.532 -10.470 7.382 1.00 0.00 O ATOM 1030 CB THR A 66 3.693 -11.495 4.170 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.732 -12.419 4.429 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.729 -11.123 2.689 1.00 0.00 C ATOM 0 H THR A 66 5.787 -10.166 4.394 1.00 0.00 H new ATOM 0 HA THR A 66 3.022 -9.563 4.798 1.00 0.00 H new ATOM 0 HB THR A 66 2.728 -11.949 4.396 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.633 -13.196 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.641 -12.026 2.085 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.900 -10.453 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.671 -10.624 2.462 1.00 0.00 H new ATOM 1040 N ALA A 67 2.467 -11.211 6.874 1.00 0.00 N ATOM 1041 CA ALA A 67 2.225 -11.831 8.169 1.00 0.00 C ATOM 1042 C ALA A 67 3.220 -12.976 8.407 1.00 0.00 C ATOM 1043 O ALA A 67 3.702 -13.161 9.524 1.00 0.00 O ATOM 1044 CB ALA A 67 0.797 -12.377 8.189 1.00 0.00 C ATOM 0 H ALA A 67 1.669 -11.252 6.240 1.00 0.00 H new ATOM 0 HA ALA A 67 2.356 -11.090 8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.600 -12.845 9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.093 -11.560 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.679 -13.116 7.396 1.00 0.00 H new ATOM 1050 N ASP A 68 3.523 -13.738 7.350 1.00 0.00 N ATOM 1051 CA ASP A 68 4.485 -14.838 7.387 1.00 0.00 C ATOM 1052 C ASP A 68 5.921 -14.321 7.529 1.00 0.00 C ATOM 1053 O ASP A 68 6.706 -14.901 8.283 1.00 0.00 O ATOM 1054 CB ASP A 68 4.361 -15.689 6.119 1.00 0.00 C ATOM 1055 CG ASP A 68 5.427 -16.793 6.099 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.244 -17.829 6.776 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.441 -16.630 5.386 1.00 0.00 O ATOM 0 H ASP A 68 3.099 -13.603 6.432 1.00 0.00 H new ATOM 0 HA ASP A 68 4.258 -15.451 8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.368 -16.135 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.470 -15.056 5.238 1.00 0.00 H new ATOM 1062 N GLY A 69 6.252 -13.215 6.852 1.00 0.00 N ATOM 1063 CA GLY A 69 7.527 -12.514 6.984 1.00 0.00 C ATOM 1064 C GLY A 69 8.240 -12.252 5.652 1.00 0.00 C ATOM 1065 O GLY A 69 9.309 -11.640 5.655 1.00 0.00 O ATOM 0 H GLY A 69 5.622 -12.775 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.355 -11.561 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.185 -13.098 7.627 1.00 0.00 H new ATOM 1069 N LYS A 70 7.693 -12.713 4.520 1.00 0.00 N ATOM 1070 CA LYS A 70 8.244 -12.459 3.187 1.00 0.00 C ATOM 1071 C LYS A 70 8.256 -10.952 2.954 1.00 0.00 C ATOM 1072 O LYS A 70 7.265 -10.294 3.260 1.00 0.00 O ATOM 1073 CB LYS A 70 7.366 -13.146 2.123 1.00 0.00 C ATOM 1074 CG LYS A 70 7.200 -14.664 2.308 1.00 0.00 C ATOM 1075 CD LYS A 70 8.480 -15.436 1.964 1.00 0.00 C ATOM 1076 CE LYS A 70 8.299 -16.941 2.195 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.424 -17.333 3.620 1.00 0.00 N ATOM 0 H LYS A 70 6.845 -13.280 4.506 1.00 0.00 H new ATOM 0 HA LYS A 70 9.256 -12.857 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.379 -12.683 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.797 -12.959 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.918 -14.873 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.384 -15.018 1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.748 -15.255 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.305 -15.068 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.319 -17.243 1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.041 -17.484 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.343 -18.366 3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.349 -17.028 3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.668 -16.880 4.172 1.00 0.00 H new ATOM 1091 N GLU A 71 9.338 -10.385 2.422 1.00 0.00 N ATOM 1092 CA GLU A 71 9.340 -8.975 2.052 1.00 0.00 C ATOM 1093 C GLU A 71 8.394 -8.812 0.863 1.00 0.00 C ATOM 1094 O GLU A 71 8.486 -9.560 -0.107 1.00 0.00 O ATOM 1095 CB GLU A 71 10.768 -8.491 1.770 1.00 0.00 C ATOM 1096 CG GLU A 71 10.801 -6.969 1.572 1.00 0.00 C ATOM 1097 CD GLU A 71 12.212 -6.405 1.781 1.00 0.00 C ATOM 1098 OE1 GLU A 71 13.036 -6.427 0.838 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.491 -5.923 2.903 1.00 0.00 O ATOM 0 H GLU A 71 10.214 -10.875 2.240 1.00 0.00 H new ATOM 0 HA GLU A 71 8.982 -8.347 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.421 -8.768 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.155 -8.986 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.455 -6.724 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.112 -6.495 2.271 1.00 0.00 H new ATOM 1106 N VAL A 72 7.479 -7.850 0.949 1.00 0.00 N ATOM 1107 CA VAL A 72 6.359 -7.671 0.032 1.00 0.00 C ATOM 1108 C VAL A 72 6.817 -7.590 -1.428 1.00 0.00 C ATOM 1109 O VAL A 72 6.204 -8.226 -2.287 1.00 0.00 O ATOM 1110 CB VAL A 72 5.548 -6.440 0.499 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.644 -5.851 -0.593 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.707 -6.804 1.734 1.00 0.00 C ATOM 0 H VAL A 72 7.499 -7.147 1.688 1.00 0.00 H new ATOM 0 HA VAL A 72 5.707 -8.544 0.059 1.00 0.00 H new ATOM 0 HB VAL A 72 6.275 -5.668 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.106 -4.991 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.254 -5.537 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.930 -6.606 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.139 -5.932 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.020 -7.612 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.366 -7.127 2.540 1.00 0.00 H new ATOM 1122 N LEU A 73 7.889 -6.849 -1.728 1.00 0.00 N ATOM 1123 CA LEU A 73 8.319 -6.685 -3.117 1.00 0.00 C ATOM 1124 C LEU A 73 8.813 -8.017 -3.686 1.00 0.00 C ATOM 1125 O LEU A 73 8.500 -8.345 -4.830 1.00 0.00 O ATOM 1126 CB LEU A 73 9.401 -5.600 -3.249 1.00 0.00 C ATOM 1127 CG LEU A 73 8.918 -4.163 -2.958 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.096 -3.192 -3.084 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.796 -3.703 -3.899 1.00 0.00 C ATOM 0 H LEU A 73 8.464 -6.362 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 73 7.456 -6.358 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.219 -5.838 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.807 -5.634 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 73 8.516 -4.166 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.755 -2.177 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.871 -3.466 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.501 -3.241 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.501 -2.685 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.151 -3.729 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.938 -4.367 -3.794 1.00 0.00 H new ATOM 1141 N GLU A 74 9.539 -8.807 -2.891 1.00 0.00 N ATOM 1142 CA GLU A 74 10.001 -10.129 -3.302 1.00 0.00 C ATOM 1143 C GLU A 74 8.809 -11.087 -3.407 1.00 0.00 C ATOM 1144 O GLU A 74 8.714 -11.853 -4.365 1.00 0.00 O ATOM 1145 CB GLU A 74 11.056 -10.630 -2.302 1.00 0.00 C ATOM 1146 CG GLU A 74 11.690 -11.957 -2.739 1.00 0.00 C ATOM 1147 CD GLU A 74 12.823 -12.381 -1.787 1.00 0.00 C ATOM 1148 OE1 GLU A 74 12.554 -13.088 -0.789 1.00 0.00 O ATOM 1149 OE2 GLU A 74 13.998 -12.032 -2.037 1.00 0.00 O ATOM 0 H GLU A 74 9.821 -8.546 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 74 10.466 -10.078 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.836 -9.876 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.594 -10.756 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.927 -12.735 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.082 -11.858 -3.751 1.00 0.00 H new ATOM 1156 N TYR A 75 7.875 -11.012 -2.455 1.00 0.00 N ATOM 1157 CA TYR A 75 6.695 -11.861 -2.397 1.00 0.00 C ATOM 1158 C TYR A 75 5.842 -11.692 -3.655 1.00 0.00 C ATOM 1159 O TYR A 75 5.417 -12.689 -4.239 1.00 0.00 O ATOM 1160 CB TYR A 75 5.892 -11.519 -1.132 1.00 0.00 C ATOM 1161 CG TYR A 75 4.719 -12.437 -0.845 1.00 0.00 C ATOM 1162 CD1 TYR A 75 4.944 -13.801 -0.579 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.407 -11.924 -0.802 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.870 -14.652 -0.260 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.329 -12.769 -0.484 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.553 -14.139 -0.211 1.00 0.00 C ATOM 1167 OH TYR A 75 1.492 -14.945 0.081 1.00 0.00 O ATOM 0 H TYR A 75 7.925 -10.342 -1.688 1.00 0.00 H new ATOM 0 HA TYR A 75 7.002 -12.906 -2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.567 -11.539 -0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.521 -10.498 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.948 -14.197 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.229 -10.880 -1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.051 -15.696 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.326 -12.371 -0.448 1.00 0.00 H new ATOM 0 HH TYR A 75 0.952 -14.532 0.787 1.00 0.00 H new ATOM 1177 N LEU A 76 5.613 -10.451 -4.092 1.00 0.00 N ATOM 1178 CA LEU A 76 4.849 -10.157 -5.302 1.00 0.00 C ATOM 1179 C LEU A 76 5.679 -10.445 -6.555 1.00 0.00 C ATOM 1180 O LEU A 76 5.128 -10.875 -7.568 1.00 0.00 O ATOM 1181 CB LEU A 76 4.400 -8.685 -5.300 1.00 0.00 C ATOM 1182 CG LEU A 76 3.369 -8.330 -4.208 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.080 -6.824 -4.242 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.061 -9.111 -4.372 1.00 0.00 C ATOM 0 H LEU A 76 5.955 -9.619 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 76 3.970 -10.801 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.278 -8.051 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.974 -8.447 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 76 3.799 -8.608 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.352 -6.576 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.003 -6.272 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.680 -6.552 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.367 -8.828 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.619 -8.882 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.265 -10.180 -4.310 1.00 0.00 H new ATOM 1196 N GLY A 77 6.996 -10.213 -6.498 1.00 0.00 N ATOM 1197 CA GLY A 77 7.899 -10.437 -7.619 1.00 0.00 C ATOM 1198 C GLY A 77 8.042 -11.920 -7.969 1.00 0.00 C ATOM 1199 O GLY A 77 8.224 -12.251 -9.139 1.00 0.00 O ATOM 0 H GLY A 77 7.463 -9.861 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.532 -9.895 -8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.880 -10.027 -7.379 1.00 0.00 H new ATOM 1203 N ASN A 78 7.951 -12.811 -6.975 1.00 0.00 N ATOM 1204 CA ASN A 78 8.018 -14.261 -7.147 1.00 0.00 C ATOM 1205 C ASN A 78 6.882 -14.739 -8.065 1.00 0.00 C ATOM 1206 O ASN A 78 5.720 -14.638 -7.664 1.00 0.00 O ATOM 1207 CB ASN A 78 7.911 -14.935 -5.766 1.00 0.00 C ATOM 1208 CG ASN A 78 7.899 -16.461 -5.834 1.00 0.00 C ATOM 1209 OD1 ASN A 78 8.067 -17.070 -6.887 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.694 -17.118 -4.706 1.00 0.00 N ATOM 0 H ASN A 78 7.825 -12.532 -6.002 1.00 0.00 H new ATOM 0 HA ASN A 78 8.967 -14.531 -7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.749 -14.613 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.001 -14.594 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.675 -18.138 -4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.555 -16.605 -3.835 1.00 0.00 H new ATOM 1217 N PRO A 79 7.153 -15.297 -9.262 1.00 0.00 N ATOM 1218 CA PRO A 79 6.097 -15.691 -10.182 1.00 0.00 C ATOM 1219 C PRO A 79 5.291 -16.908 -9.720 1.00 0.00 C ATOM 1220 O PRO A 79 4.178 -17.103 -10.210 1.00 0.00 O ATOM 1221 CB PRO A 79 6.766 -15.864 -11.541 1.00 0.00 C ATOM 1222 CG PRO A 79 8.187 -16.285 -11.168 1.00 0.00 C ATOM 1223 CD PRO A 79 8.457 -15.513 -9.873 1.00 0.00 C ATOM 0 HA PRO A 79 5.327 -14.922 -10.234 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.265 -16.621 -12.145 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.756 -14.939 -12.117 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.260 -17.362 -11.017 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.902 -16.023 -11.948 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.111 -16.079 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.954 -14.565 -10.079 1.00 0.00 H new ATOM 1231 N ALA A 80 5.770 -17.679 -8.733 1.00 0.00 N ATOM 1232 CA ALA A 80 4.955 -18.713 -8.090 1.00 0.00 C ATOM 1233 C ALA A 80 3.754 -18.089 -7.350 1.00 0.00 C ATOM 1234 O ALA A 80 2.817 -18.793 -6.977 1.00 0.00 O ATOM 1235 CB ALA A 80 5.809 -19.513 -7.103 1.00 0.00 C ATOM 0 H ALA A 80 6.718 -17.604 -8.364 1.00 0.00 H new ATOM 0 HA ALA A 80 4.575 -19.378 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.196 -20.280 -6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.634 -19.986 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.206 -18.844 -6.340 1.00 0.00 H new ATOM 1241 N ASN A 81 3.793 -16.768 -7.138 1.00 0.00 N ATOM 1242 CA ASN A 81 2.826 -15.953 -6.422 1.00 0.00 C ATOM 1243 C ASN A 81 2.555 -14.678 -7.242 1.00 0.00 C ATOM 1244 O ASN A 81 2.397 -13.592 -6.692 1.00 0.00 O ATOM 1245 CB ASN A 81 3.400 -15.665 -5.028 1.00 0.00 C ATOM 1246 CG ASN A 81 2.443 -14.887 -4.132 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.285 -15.252 -3.951 1.00 0.00 O ATOM 1248 ND2 ASN A 81 2.931 -13.826 -3.519 1.00 0.00 N ATOM 0 H ASN A 81 4.565 -16.205 -7.494 1.00 0.00 H new ATOM 0 HA ASN A 81 1.868 -16.457 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.653 -16.609 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.327 -15.102 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.343 -13.291 -2.880 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.896 -13.541 -3.684 1.00 0.00 H new ATOM 1255 N TYR A 82 2.564 -14.785 -8.579 1.00 0.00 N ATOM 1256 CA TYR A 82 2.113 -13.709 -9.461 1.00 0.00 C ATOM 1257 C TYR A 82 0.611 -13.429 -9.281 1.00 0.00 C ATOM 1258 O TYR A 82 0.274 -12.273 -9.030 1.00 0.00 O ATOM 1259 CB TYR A 82 2.448 -14.017 -10.935 1.00 0.00 C ATOM 1260 CG TYR A 82 3.643 -13.321 -11.575 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.642 -12.649 -10.835 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.732 -13.342 -12.981 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.697 -11.994 -11.493 1.00 0.00 C ATOM 1264 CE2 TYR A 82 4.780 -12.685 -13.644 1.00 0.00 C ATOM 1265 CZ TYR A 82 5.769 -12.002 -12.904 1.00 0.00 C ATOM 1266 OH TYR A 82 6.776 -11.359 -13.560 1.00 0.00 O ATOM 0 H TYR A 82 2.884 -15.618 -9.073 1.00 0.00 H new ATOM 0 HA TYR A 82 2.654 -12.806 -9.179 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.607 -15.092 -11.020 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.568 -13.777 -11.531 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.594 -12.639 -9.756 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.985 -13.870 -13.555 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.455 -11.483 -10.918 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.830 -12.702 -14.723 1.00 0.00 H new ATOM 0 HH TYR A 82 6.663 -11.474 -14.527 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.310 -14.410 -9.403 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.726 -14.155 -9.163 1.00 0.00 C ATOM 1278 C PRO A 83 -1.953 -13.957 -7.661 1.00 0.00 C ATOM 1279 O PRO A 83 -1.587 -14.821 -6.859 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.473 -15.367 -9.724 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.450 -16.498 -9.640 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.112 -15.787 -9.844 1.00 0.00 C ATOM 0 HA PRO A 83 -2.088 -13.249 -9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.366 -15.591 -9.141 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.797 -15.197 -10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.492 -17.006 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.624 -17.254 -10.406 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.677 -16.270 -9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.191 -15.821 -10.891 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.554 -12.829 -7.279 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.708 -12.412 -5.887 1.00 0.00 C ATOM 1292 C VAL A 84 -3.977 -11.579 -5.718 1.00 0.00 C ATOM 1293 O VAL A 84 -4.585 -11.133 -6.695 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.481 -11.583 -5.417 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.209 -12.420 -5.319 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.206 -10.358 -6.305 1.00 0.00 C ATOM 0 H VAL A 84 -2.955 -12.167 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.781 -13.311 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.753 -11.234 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.616 -11.790 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.360 -13.229 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.026 -12.840 -6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.337 -9.821 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.012 -10.685 -7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.074 -9.699 -6.294 1.00 0.00 H new ATOM 1306 N SER A 85 -4.316 -11.306 -4.464 1.00 0.00 N ATOM 1307 CA SER A 85 -5.340 -10.356 -4.071 1.00 0.00 C ATOM 1308 C SER A 85 -4.648 -9.399 -3.106 1.00 0.00 C ATOM 1309 O SER A 85 -3.816 -9.845 -2.315 1.00 0.00 O ATOM 1310 CB SER A 85 -6.522 -11.080 -3.418 1.00 0.00 C ATOM 1311 OG SER A 85 -7.052 -12.073 -4.285 1.00 0.00 O ATOM 0 H SER A 85 -3.867 -11.758 -3.667 1.00 0.00 H new ATOM 0 HA SER A 85 -5.758 -9.817 -4.921 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.200 -11.541 -2.485 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.300 -10.360 -3.166 1.00 0.00 H new ATOM 0 HG SER A 85 -7.804 -12.523 -3.846 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.930 -8.100 -3.180 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.232 -7.079 -2.404 1.00 0.00 C ATOM 1319 C ILE A 86 -5.294 -6.114 -1.888 1.00 0.00 C ATOM 1320 O ILE A 86 -6.272 -5.829 -2.581 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.138 -6.365 -3.248 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.192 -7.377 -3.939 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.313 -5.388 -2.385 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.071 -6.754 -4.777 1.00 0.00 C ATOM 0 H ILE A 86 -5.658 -7.723 -3.787 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.696 -7.526 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.659 -5.800 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.743 -8.011 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.787 -8.026 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.557 -4.905 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.973 -4.631 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.826 -5.937 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.464 -7.545 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.505 -6.144 -5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.445 -6.129 -4.140 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.081 -5.592 -0.681 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.864 -4.522 -0.082 1.00 0.00 C ATOM 1338 C ARG A 87 -4.899 -3.384 0.188 1.00 0.00 C ATOM 1339 O ARG A 87 -3.779 -3.635 0.647 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.518 -5.022 1.215 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.467 -3.982 1.830 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.192 -4.537 3.061 1.00 0.00 C ATOM 1343 NE ARG A 87 -9.233 -5.516 2.692 1.00 0.00 N ATOM 1344 CZ ARG A 87 -10.524 -5.239 2.484 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -10.973 -3.991 2.528 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -11.381 -6.213 2.213 1.00 0.00 N ATOM 0 H ARG A 87 -4.329 -5.918 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.668 -4.189 -0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.071 -5.939 1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.741 -5.273 1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.901 -3.093 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.200 -3.672 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.469 -5.009 3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.646 -3.716 3.616 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.942 -6.488 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.329 -3.224 2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.962 -3.799 2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.056 -7.179 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.365 -5.997 2.055 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.352 -2.158 -0.053 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.583 -0.933 0.085 1.00 0.00 C ATOM 1362 C PHE A 88 -5.318 0.016 1.025 1.00 0.00 C ATOM 1363 O PHE A 88 -6.461 -0.229 1.419 1.00 0.00 O ATOM 1364 CB PHE A 88 -4.405 -0.268 -1.295 1.00 0.00 C ATOM 1365 CG PHE A 88 -3.424 -0.930 -2.244 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -3.841 -1.972 -3.097 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -2.106 -0.440 -2.333 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -2.943 -2.517 -4.031 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -1.209 -0.990 -3.265 1.00 0.00 C ATOM 1370 CZ PHE A 88 -1.625 -2.031 -4.113 1.00 0.00 C ATOM 0 H PHE A 88 -6.308 -1.987 -0.364 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.600 -1.164 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.379 -0.229 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.086 0.762 -1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.850 -2.351 -3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.784 0.360 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.266 -3.311 -4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.199 -0.612 -3.330 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.935 -2.457 -4.826 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.662 1.119 1.364 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.223 2.193 2.151 1.00 0.00 C ATOM 1382 C GLY A 89 -4.186 3.286 2.322 1.00 0.00 C ATOM 1383 O GLY A 89 -3.290 3.440 1.492 1.00 0.00 O ATOM 0 H GLY A 89 -3.695 1.289 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.111 2.592 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.537 1.819 3.125 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.314 4.064 3.386 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.374 5.114 3.743 1.00 0.00 C ATOM 1389 C ARG A 90 -2.333 4.512 4.697 1.00 0.00 C ATOM 1390 O ARG A 90 -2.669 3.574 5.426 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.149 6.275 4.394 1.00 0.00 C ATOM 1392 CG ARG A 90 -4.978 7.070 3.367 1.00 0.00 C ATOM 1393 CD ARG A 90 -6.377 6.487 3.109 1.00 0.00 C ATOM 1394 NE ARG A 90 -6.827 6.734 1.733 1.00 0.00 N ATOM 1395 CZ ARG A 90 -7.951 6.246 1.201 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -8.899 5.682 1.935 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -8.128 6.294 -0.108 1.00 0.00 N ATOM 0 H ARG A 90 -5.092 3.980 4.040 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.857 5.509 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.811 5.881 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.447 6.946 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.082 8.097 3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.431 7.107 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.364 5.414 3.300 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.088 6.927 3.808 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.239 7.320 1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.785 5.608 2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.743 5.322 1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.409 6.702 -0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.984 5.923 -0.521 1.00 0.00 H new