USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=9 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= 1.03 K(o=3,f=-1.4) USER MOD Set 1.2: A 75 TYR OH : rot 130:sc= 0.517 USER MOD Set 1.3: A 81 ASN : amide:sc= 1.43 K(o=3,f=-1.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -91:sc= 0.0869 USER MOD Single : A 23 SER OG : rot 9:sc= 0.34 USER MOD Single : A 24 TYR OH : rot 30:sc=-0.00908 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.541 K(o=0.54,f=-4.3!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00502 X(o=-0.005,f=-0.49) USER MOD Single : A 65 TYR OH : rot 30:sc= 0.115 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.581 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0582 K(o=-0.058,f=-5.3!) 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 -8.161 -4.796 -4.955 1.00 0.00 N ATOM 291 CA LYS A 20 -8.441 -5.398 -6.260 1.00 0.00 C ATOM 292 C LYS A 20 -7.513 -6.595 -6.485 1.00 0.00 C ATOM 293 O LYS A 20 -6.511 -6.761 -5.780 1.00 0.00 O ATOM 294 CB LYS A 20 -8.239 -4.348 -7.381 1.00 0.00 C ATOM 295 CG LYS A 20 -9.111 -4.626 -8.617 1.00 0.00 C ATOM 296 CD LYS A 20 -8.889 -3.572 -9.710 1.00 0.00 C ATOM 297 CE LYS A 20 -9.764 -3.910 -10.927 1.00 0.00 C ATOM 298 NZ LYS A 20 -9.611 -2.926 -12.030 1.00 0.00 N ATOM 0 HA LYS A 20 -9.476 -5.741 -6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.473 -3.357 -6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.190 -4.335 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.880 -5.615 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.162 -4.636 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.139 -2.581 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.838 -3.547 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.504 -4.904 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.809 -3.947 -10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.222 -3.199 -12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.884 -1.981 -11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.620 -2.908 -12.344 1.00 0.00 H new ATOM 312 N THR A 21 -7.860 -7.430 -7.457 1.00 0.00 N ATOM 313 CA THR A 21 -7.021 -8.490 -7.990 1.00 0.00 C ATOM 314 C THR A 21 -6.036 -7.843 -8.975 1.00 0.00 C ATOM 315 O THR A 21 -6.396 -6.892 -9.678 1.00 0.00 O ATOM 316 CB THR A 21 -7.915 -9.542 -8.675 1.00 0.00 C ATOM 317 OG1 THR A 21 -8.998 -8.941 -9.374 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.521 -10.491 -7.636 1.00 0.00 C ATOM 0 H THR A 21 -8.772 -7.383 -7.912 1.00 0.00 H new ATOM 0 HA THR A 21 -6.459 -9.000 -7.207 1.00 0.00 H new ATOM 0 HB THR A 21 -7.276 -10.080 -9.375 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.773 -8.872 -8.779 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.149 -11.227 -8.138 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.721 -11.002 -7.100 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.124 -9.920 -6.930 1.00 0.00 H new ATOM 326 N PHE A 22 -4.801 -8.343 -9.040 1.00 0.00 N ATOM 327 CA PHE A 22 -3.748 -7.826 -9.906 1.00 0.00 C ATOM 328 C PHE A 22 -2.909 -8.978 -10.465 1.00 0.00 C ATOM 329 O PHE A 22 -3.048 -10.136 -10.063 1.00 0.00 O ATOM 330 CB PHE A 22 -2.852 -6.851 -9.125 1.00 0.00 C ATOM 331 CG PHE A 22 -3.518 -5.576 -8.638 1.00 0.00 C ATOM 332 CD1 PHE A 22 -3.650 -4.475 -9.508 1.00 0.00 C ATOM 333 CD2 PHE A 22 -3.955 -5.466 -7.304 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.212 -3.273 -9.044 1.00 0.00 C ATOM 335 CE2 PHE A 22 -4.517 -4.262 -6.841 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.642 -3.163 -7.710 1.00 0.00 C ATOM 0 H PHE A 22 -4.501 -9.139 -8.477 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.209 -7.293 -10.737 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.444 -7.376 -8.261 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.009 -6.577 -9.759 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.319 -4.555 -10.533 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.859 -6.308 -6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.314 -2.432 -9.714 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.853 -4.182 -5.818 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.067 -2.237 -7.353 1.00 0.00 H new ATOM 346 N SER A 23 -2.033 -8.653 -11.409 1.00 0.00 N ATOM 347 CA SER A 23 -1.042 -9.511 -12.048 1.00 0.00 C ATOM 348 C SER A 23 0.064 -8.581 -12.576 1.00 0.00 C ATOM 349 O SER A 23 -0.070 -7.358 -12.471 1.00 0.00 O ATOM 350 CB SER A 23 -1.708 -10.318 -13.173 1.00 0.00 C ATOM 351 OG SER A 23 -2.679 -11.203 -12.640 1.00 0.00 O ATOM 0 H SER A 23 -1.995 -7.703 -11.778 1.00 0.00 H new ATOM 0 HA SER A 23 -0.614 -10.236 -11.356 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.177 -9.640 -13.886 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.953 -10.883 -13.720 1.00 0.00 H new ATOM 0 HG SER A 23 -2.816 -11.005 -11.690 1.00 0.00 H new ATOM 357 N TYR A 24 1.148 -9.130 -13.135 1.00 0.00 N ATOM 358 CA TYR A 24 2.278 -8.352 -13.642 1.00 0.00 C ATOM 359 C TYR A 24 2.528 -8.694 -15.120 1.00 0.00 C ATOM 360 O TYR A 24 2.208 -9.813 -15.533 1.00 0.00 O ATOM 361 CB TYR A 24 3.520 -8.646 -12.790 1.00 0.00 C ATOM 362 CG TYR A 24 3.427 -8.141 -11.364 1.00 0.00 C ATOM 363 CD1 TYR A 24 3.733 -6.797 -11.083 1.00 0.00 C ATOM 364 CD2 TYR A 24 3.018 -9.004 -10.327 1.00 0.00 C ATOM 365 CE1 TYR A 24 3.641 -6.312 -9.769 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.880 -8.516 -9.014 1.00 0.00 C ATOM 367 CZ TYR A 24 3.211 -7.168 -8.730 1.00 0.00 C ATOM 368 OH TYR A 24 3.109 -6.693 -7.459 1.00 0.00 O ATOM 0 H TYR A 24 1.264 -10.137 -13.248 1.00 0.00 H new ATOM 0 HA TYR A 24 2.054 -7.287 -13.575 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.688 -9.723 -12.772 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.390 -8.195 -13.268 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.040 -6.136 -11.881 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.810 -10.042 -10.541 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.899 -5.286 -9.552 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.524 -9.165 -8.228 1.00 0.00 H new ATOM 0 HH TYR A 24 2.894 -5.737 -7.483 1.00 0.00 H new ATOM 378 N PRO A 25 3.117 -7.785 -15.925 1.00 0.00 N ATOM 379 CA PRO A 25 3.473 -6.412 -15.564 1.00 0.00 C ATOM 380 C PRO A 25 2.232 -5.529 -15.361 1.00 0.00 C ATOM 381 O PRO A 25 2.196 -4.782 -14.387 1.00 0.00 O ATOM 382 CB PRO A 25 4.357 -5.904 -16.709 1.00 0.00 C ATOM 383 CG PRO A 25 3.916 -6.730 -17.917 1.00 0.00 C ATOM 384 CD PRO A 25 3.512 -8.068 -17.299 1.00 0.00 C ATOM 0 HA PRO A 25 3.998 -6.376 -14.610 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.212 -4.838 -16.881 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.415 -6.051 -16.491 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.084 -6.262 -18.442 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.723 -6.848 -18.640 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.690 -8.520 -17.854 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.341 -8.775 -17.327 1.00 0.00 H new ATOM 392 N LEU A 26 1.197 -5.699 -16.201 1.00 0.00 N ATOM 393 CA LEU A 26 -0.105 -5.019 -16.216 1.00 0.00 C ATOM 394 C LEU A 26 -0.027 -3.486 -16.105 1.00 0.00 C ATOM 395 O LEU A 26 -0.220 -2.790 -17.100 1.00 0.00 O ATOM 396 CB LEU A 26 -1.015 -5.648 -15.142 1.00 0.00 C ATOM 397 CG LEU A 26 -2.446 -5.076 -15.072 1.00 0.00 C ATOM 398 CD1 LEU A 26 -3.226 -5.290 -16.375 1.00 0.00 C ATOM 399 CD2 LEU A 26 -3.196 -5.742 -13.912 1.00 0.00 C ATOM 0 H LEU A 26 1.259 -6.381 -16.957 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.544 -5.177 -17.201 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.079 -6.720 -15.326 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.542 -5.520 -14.168 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.366 -4.000 -14.914 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.226 -4.869 -16.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.706 -4.796 -17.196 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.301 -6.357 -16.583 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.209 -5.342 -13.856 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.239 -6.819 -14.077 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.674 -5.539 -12.977 1.00 0.00 H new ATOM 411 N ASP A 27 0.244 -2.976 -14.905 1.00 0.00 N ATOM 412 CA ASP A 27 0.465 -1.567 -14.562 1.00 0.00 C ATOM 413 C ASP A 27 1.067 -1.476 -13.154 1.00 0.00 C ATOM 414 O ASP A 27 1.792 -0.536 -12.847 1.00 0.00 O ATOM 415 CB ASP A 27 -0.849 -0.762 -14.571 1.00 0.00 C ATOM 416 CG ASP A 27 -0.581 0.743 -14.399 1.00 0.00 C ATOM 417 OD1 ASP A 27 0.099 1.319 -15.276 1.00 0.00 O ATOM 418 OD2 ASP A 27 -1.083 1.365 -13.435 1.00 0.00 O ATOM 0 H ASP A 27 0.321 -3.578 -14.085 1.00 0.00 H new ATOM 0 HA ASP A 27 1.139 -1.149 -15.310 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.378 -0.935 -15.508 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.499 -1.112 -13.769 1.00 0.00 H new ATOM 423 N LEU A 28 0.759 -2.462 -12.299 1.00 0.00 N ATOM 424 CA LEU A 28 1.128 -2.515 -10.889 1.00 0.00 C ATOM 425 C LEU A 28 2.641 -2.386 -10.678 1.00 0.00 C ATOM 426 O LEU A 28 3.422 -3.112 -11.297 1.00 0.00 O ATOM 427 CB LEU A 28 0.584 -3.827 -10.293 1.00 0.00 C ATOM 428 CG LEU A 28 0.731 -3.917 -8.764 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.121 -2.863 -8.043 1.00 0.00 C ATOM 430 CD2 LEU A 28 0.287 -5.293 -8.271 1.00 0.00 C ATOM 0 H LEU A 28 0.221 -3.278 -12.591 1.00 0.00 H new ATOM 0 HA LEU A 28 0.684 -1.663 -10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.470 -3.926 -10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.106 -4.668 -10.750 1.00 0.00 H new ATOM 0 HG LEU A 28 1.783 -3.743 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.012 -2.962 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.190 -1.867 -8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.171 -3.011 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.396 -5.344 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.757 -5.456 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.905 -6.062 -8.734 1.00 0.00 H new ATOM 442 N LEU A 29 3.045 -1.509 -9.754 1.00 0.00 N ATOM 443 CA LEU A 29 4.409 -1.381 -9.254 1.00 0.00 C ATOM 444 C LEU A 29 4.298 -0.864 -7.826 1.00 0.00 C ATOM 445 O LEU A 29 3.617 0.137 -7.594 1.00 0.00 O ATOM 446 CB LEU A 29 5.214 -0.405 -10.141 1.00 0.00 C ATOM 447 CG LEU A 29 6.751 -0.387 -9.971 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.228 0.533 -8.842 1.00 0.00 C ATOM 449 CD2 LEU A 29 7.368 -1.782 -9.802 1.00 0.00 C ATOM 0 H LEU A 29 2.403 -0.845 -9.320 1.00 0.00 H new ATOM 0 HA LEU A 29 4.935 -2.335 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.994 -0.638 -11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.843 0.603 -9.954 1.00 0.00 H new ATOM 0 HG LEU A 29 7.110 0.023 -10.915 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.316 0.497 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.910 1.555 -9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.798 0.202 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.448 -1.691 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.949 -2.260 -8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.146 -2.387 -10.681 1.00 0.00 H new ATOM 461 N LEU A 30 4.957 -1.529 -6.880 1.00 0.00 N ATOM 462 CA LEU A 30 5.007 -1.157 -5.466 1.00 0.00 C ATOM 463 C LEU A 30 6.477 -0.916 -5.115 1.00 0.00 C ATOM 464 O LEU A 30 7.367 -1.475 -5.763 1.00 0.00 O ATOM 465 CB LEU A 30 4.417 -2.286 -4.591 1.00 0.00 C ATOM 466 CG LEU A 30 2.915 -2.175 -4.263 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.007 -2.093 -5.493 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.471 -3.398 -3.459 1.00 0.00 C ATOM 0 H LEU A 30 5.491 -2.374 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 30 4.416 -0.260 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.589 -3.237 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.972 -2.319 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 30 2.811 -1.244 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.968 -2.017 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.271 -1.215 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.135 -2.989 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.409 -3.316 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.647 -4.301 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.040 -3.450 -2.531 1.00 0.00 H new ATOM 480 N LYS A 31 6.743 -0.103 -4.090 1.00 0.00 N ATOM 481 CA LYS A 31 8.098 0.263 -3.665 1.00 0.00 C ATOM 482 C LYS A 31 8.131 0.473 -2.156 1.00 0.00 C ATOM 483 O LYS A 31 7.083 0.679 -1.551 1.00 0.00 O ATOM 484 CB LYS A 31 8.584 1.498 -4.458 1.00 0.00 C ATOM 485 CG LYS A 31 7.717 2.771 -4.369 1.00 0.00 C ATOM 486 CD LYS A 31 7.977 3.644 -3.130 1.00 0.00 C ATOM 487 CE LYS A 31 7.096 4.903 -3.122 1.00 0.00 C ATOM 488 NZ LYS A 31 7.492 5.904 -4.149 1.00 0.00 N ATOM 0 H LYS A 31 6.012 0.327 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 31 8.792 -0.548 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.588 1.747 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.666 1.216 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.887 3.373 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.667 2.479 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.786 3.061 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.027 3.935 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.058 4.613 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.144 5.366 -2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.860 6.728 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.472 6.207 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.420 5.478 -5.095 1.00 0.00 H new ATOM 502 N LEU A 32 9.318 0.443 -1.549 1.00 0.00 N ATOM 503 CA LEU A 32 9.520 0.669 -0.118 1.00 0.00 C ATOM 504 C LEU A 32 9.903 2.138 0.078 1.00 0.00 C ATOM 505 O LEU A 32 10.861 2.600 -0.546 1.00 0.00 O ATOM 506 CB LEU A 32 10.625 -0.290 0.376 1.00 0.00 C ATOM 507 CG LEU A 32 11.082 -0.104 1.837 1.00 0.00 C ATOM 508 CD1 LEU A 32 9.925 -0.193 2.835 1.00 0.00 C ATOM 509 CD2 LEU A 32 12.114 -1.180 2.196 1.00 0.00 C ATOM 0 H LEU A 32 10.186 0.256 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 32 8.618 0.468 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.270 -1.313 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.494 -0.175 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 32 11.512 0.895 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.306 -0.055 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.193 0.584 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.451 -1.171 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.435 -1.046 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.666 -2.167 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.976 -1.093 1.534 1.00 0.00 H new ATOM 521 N HIS A 33 9.176 2.869 0.927 1.00 0.00 N ATOM 522 CA HIS A 33 9.453 4.263 1.263 1.00 0.00 C ATOM 523 C HIS A 33 8.905 4.550 2.664 1.00 0.00 C ATOM 524 O HIS A 33 7.853 4.031 3.033 1.00 0.00 O ATOM 525 CB HIS A 33 8.790 5.181 0.226 1.00 0.00 C ATOM 526 CG HIS A 33 9.013 6.651 0.482 1.00 0.00 C ATOM 527 ND1 HIS A 33 8.165 7.504 1.157 1.00 0.00 N ATOM 528 CD2 HIS A 33 10.107 7.385 0.107 1.00 0.00 C ATOM 529 CE1 HIS A 33 8.738 8.720 1.188 1.00 0.00 C ATOM 530 NE2 HIS A 33 9.928 8.700 0.558 1.00 0.00 N ATOM 0 H HIS A 33 8.359 2.496 1.410 1.00 0.00 H new ATOM 0 HA HIS A 33 10.527 4.449 1.253 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.173 4.932 -0.764 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.718 4.983 0.212 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.960 7.014 -0.442 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.304 9.592 1.654 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.569 9.483 0.434 1.00 0.00 H new ATOM 538 N ASP A 34 9.602 5.386 3.441 1.00 0.00 N ATOM 539 CA ASP A 34 9.269 5.700 4.838 1.00 0.00 C ATOM 540 C ASP A 34 8.988 4.429 5.658 1.00 0.00 C ATOM 541 O ASP A 34 8.066 4.368 6.470 1.00 0.00 O ATOM 542 CB ASP A 34 8.145 6.750 4.902 1.00 0.00 C ATOM 543 CG ASP A 34 7.889 7.253 6.336 1.00 0.00 C ATOM 544 OD1 ASP A 34 8.859 7.572 7.062 1.00 0.00 O ATOM 545 OD2 ASP A 34 6.707 7.407 6.722 1.00 0.00 O ATOM 0 H ASP A 34 10.433 5.876 3.110 1.00 0.00 H new ATOM 0 HA ASP A 34 10.139 6.153 5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.405 7.595 4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.227 6.320 4.502 1.00 0.00 H new ATOM 550 N GLU A 35 9.781 3.382 5.399 1.00 0.00 N ATOM 551 CA GLU A 35 9.714 2.053 6.009 1.00 0.00 C ATOM 552 C GLU A 35 8.437 1.240 5.713 1.00 0.00 C ATOM 553 O GLU A 35 8.306 0.133 6.246 1.00 0.00 O ATOM 554 CB GLU A 35 10.053 2.127 7.516 1.00 0.00 C ATOM 555 CG GLU A 35 11.557 2.332 7.756 1.00 0.00 C ATOM 556 CD GLU A 35 11.988 1.749 9.110 1.00 0.00 C ATOM 557 OE1 GLU A 35 12.024 0.502 9.229 1.00 0.00 O ATOM 558 OE2 GLU A 35 12.303 2.518 10.048 1.00 0.00 O ATOM 0 H GLU A 35 10.534 3.447 4.714 1.00 0.00 H new ATOM 0 HA GLU A 35 10.484 1.466 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.498 2.946 7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.729 1.209 8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.124 1.857 6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.791 3.396 7.724 1.00 0.00 H new ATOM 565 N ARG A 36 7.531 1.709 4.842 1.00 0.00 N ATOM 566 CA ARG A 36 6.321 0.976 4.451 1.00 0.00 C ATOM 567 C ARG A 36 6.356 0.704 2.951 1.00 0.00 C ATOM 568 O ARG A 36 6.922 1.487 2.188 1.00 0.00 O ATOM 569 CB ARG A 36 5.038 1.773 4.774 1.00 0.00 C ATOM 570 CG ARG A 36 4.631 1.860 6.256 1.00 0.00 C ATOM 571 CD ARG A 36 5.541 2.786 7.067 1.00 0.00 C ATOM 572 NE ARG A 36 5.056 3.012 8.436 1.00 0.00 N ATOM 573 CZ ARG A 36 5.681 3.784 9.336 1.00 0.00 C ATOM 574 NH1 ARG A 36 6.801 4.427 9.011 1.00 0.00 N ATOM 575 NH2 ARG A 36 5.181 3.907 10.562 1.00 0.00 N ATOM 0 H ARG A 36 7.620 2.617 4.386 1.00 0.00 H new ATOM 0 HA ARG A 36 6.302 0.044 5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.164 2.788 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.212 1.327 4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.603 2.216 6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.653 0.862 6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.542 2.358 7.108 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.625 3.744 6.554 1.00 0.00 H new ATOM 0 HE ARG A 36 4.190 2.553 8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.189 4.334 8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.271 5.013 9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.324 3.415 10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.654 4.494 11.249 1.00 0.00 H new ATOM 589 N VAL A 37 5.754 -0.394 2.504 1.00 0.00 N ATOM 590 CA VAL A 37 5.548 -0.596 1.079 1.00 0.00 C ATOM 591 C VAL A 37 4.372 0.309 0.673 1.00 0.00 C ATOM 592 O VAL A 37 3.349 0.359 1.366 1.00 0.00 O ATOM 593 CB VAL A 37 5.382 -2.097 0.758 1.00 0.00 C ATOM 594 CG1 VAL A 37 4.108 -2.718 1.345 1.00 0.00 C ATOM 595 CG2 VAL A 37 5.440 -2.340 -0.755 1.00 0.00 C ATOM 0 H VAL A 37 5.406 -1.145 3.100 1.00 0.00 H new ATOM 0 HA VAL A 37 6.411 -0.307 0.479 1.00 0.00 H new ATOM 0 HB VAL A 37 6.220 -2.597 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.061 -3.774 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.122 -2.619 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.235 -2.203 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.321 -3.404 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.639 -1.786 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.402 -2.003 -1.141 1.00 0.00 H new ATOM 605 N LEU A 38 4.511 1.019 -0.446 1.00 0.00 N ATOM 606 CA LEU A 38 3.499 1.911 -0.998 1.00 0.00 C ATOM 607 C LEU A 38 3.252 1.511 -2.447 1.00 0.00 C ATOM 608 O LEU A 38 4.167 1.046 -3.137 1.00 0.00 O ATOM 609 CB LEU A 38 3.950 3.388 -0.979 1.00 0.00 C ATOM 610 CG LEU A 38 4.344 4.004 0.377 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.707 5.481 0.178 1.00 0.00 C ATOM 612 CD2 LEU A 38 3.252 3.914 1.445 1.00 0.00 C ATOM 0 H LEU A 38 5.360 0.986 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 38 2.601 1.822 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.802 3.486 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.143 3.989 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 38 5.191 3.421 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.986 5.919 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.545 5.560 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.848 6.015 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.608 4.370 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.362 4.440 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.007 2.868 1.628 1.00 0.00 H new ATOM 624 N VAL A 39 2.027 1.726 -2.917 1.00 0.00 N ATOM 625 CA VAL A 39 1.673 1.610 -4.326 1.00 0.00 C ATOM 626 C VAL A 39 2.367 2.766 -5.057 1.00 0.00 C ATOM 627 O VAL A 39 2.363 3.888 -4.550 1.00 0.00 O ATOM 628 CB VAL A 39 0.132 1.661 -4.470 1.00 0.00 C ATOM 629 CG1 VAL A 39 -0.312 1.467 -5.929 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.570 0.597 -3.606 1.00 0.00 C ATOM 0 H VAL A 39 1.242 1.989 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 39 2.000 0.665 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.160 2.653 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.400 1.509 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.115 2.256 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.033 0.498 -6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.649 0.673 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.235 -0.395 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.323 0.760 -2.557 1.00 0.00 H new ATOM 640 N ALA A 40 2.913 2.532 -6.253 1.00 0.00 N ATOM 641 CA ALA A 40 3.535 3.564 -7.083 1.00 0.00 C ATOM 642 C ALA A 40 2.831 3.665 -8.434 1.00 0.00 C ATOM 643 O ALA A 40 2.541 4.769 -8.890 1.00 0.00 O ATOM 644 CB ALA A 40 5.017 3.237 -7.282 1.00 0.00 C ATOM 0 H ALA A 40 2.935 1.605 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 40 3.443 4.526 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.479 4.006 -7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.515 3.202 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.113 2.269 -7.774 1.00 0.00 H new ATOM 650 N PHE A 41 2.491 2.519 -9.020 1.00 0.00 N ATOM 651 CA PHE A 41 1.647 2.378 -10.198 1.00 0.00 C ATOM 652 C PHE A 41 0.738 1.173 -9.948 1.00 0.00 C ATOM 653 O PHE A 41 0.976 0.400 -9.018 1.00 0.00 O ATOM 654 CB PHE A 41 2.498 2.200 -11.469 1.00 0.00 C ATOM 655 CG PHE A 41 3.504 3.302 -11.777 1.00 0.00 C ATOM 656 CD1 PHE A 41 3.086 4.643 -11.884 1.00 0.00 C ATOM 657 CD2 PHE A 41 4.860 2.982 -11.992 1.00 0.00 C ATOM 658 CE1 PHE A 41 4.014 5.655 -12.185 1.00 0.00 C ATOM 659 CE2 PHE A 41 5.789 3.995 -12.291 1.00 0.00 C ATOM 660 CZ PHE A 41 5.367 5.333 -12.386 1.00 0.00 C ATOM 0 H PHE A 41 2.815 1.619 -8.665 1.00 0.00 H new ATOM 0 HA PHE A 41 1.049 3.274 -10.362 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.040 1.258 -11.387 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.824 2.107 -12.320 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.047 4.895 -11.734 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.187 1.955 -11.927 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.687 6.681 -12.262 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.828 3.745 -12.448 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.081 6.111 -12.613 1.00 0.00 H new ATOM 780 N VAL A 49 -2.575 6.354 -6.286 1.00 0.00 N ATOM 781 CA VAL A 49 -1.285 5.734 -5.982 1.00 0.00 C ATOM 782 C VAL A 49 -0.670 6.448 -4.756 1.00 0.00 C ATOM 783 O VAL A 49 -1.150 7.498 -4.322 1.00 0.00 O ATOM 784 CB VAL A 49 -0.376 5.732 -7.232 1.00 0.00 C ATOM 785 CG1 VAL A 49 -0.975 4.845 -8.340 1.00 0.00 C ATOM 786 CG2 VAL A 49 -0.110 7.134 -7.803 1.00 0.00 C ATOM 0 HA VAL A 49 -1.409 4.684 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 49 0.580 5.330 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.319 4.858 -9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.073 3.823 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.957 5.226 -8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.535 7.054 -8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.055 7.596 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.379 7.748 -7.047 1.00 0.00 H new ATOM 796 N GLY A 50 0.390 5.878 -4.176 1.00 0.00 N ATOM 797 CA GLY A 50 1.081 6.426 -3.006 1.00 0.00 C ATOM 798 C GLY A 50 0.460 5.986 -1.675 1.00 0.00 C ATOM 799 O GLY A 50 0.942 6.388 -0.615 1.00 0.00 O ATOM 0 H GLY A 50 0.799 5.007 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.126 6.117 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.069 7.514 -3.062 1.00 0.00 H new ATOM 803 N HIS A 51 -0.600 5.173 -1.712 1.00 0.00 N ATOM 804 CA HIS A 51 -1.223 4.587 -0.531 1.00 0.00 C ATOM 805 C HIS A 51 -0.354 3.447 -0.008 1.00 0.00 C ATOM 806 O HIS A 51 0.391 2.830 -0.775 1.00 0.00 O ATOM 807 CB HIS A 51 -2.634 4.094 -0.883 1.00 0.00 C ATOM 808 CG HIS A 51 -3.653 5.205 -0.864 1.00 0.00 C ATOM 809 ND1 HIS A 51 -4.393 5.668 -1.925 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.993 5.968 0.219 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.160 6.682 -1.493 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.953 6.907 -0.182 1.00 0.00 N ATOM 0 H HIS A 51 -1.055 4.901 -2.583 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.311 5.338 0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.619 3.635 -1.872 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.932 3.319 -0.176 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -4.365 5.304 -2.877 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.590 5.864 1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.848 7.240 -2.112 1.00 0.00 H new ATOM 820 N ALA A 52 -0.470 3.152 1.288 1.00 0.00 N ATOM 821 CA ALA A 52 0.241 2.050 1.915 1.00 0.00 C ATOM 822 C ALA A 52 -0.562 0.774 1.714 1.00 0.00 C ATOM 823 O ALA A 52 -1.793 0.809 1.699 1.00 0.00 O ATOM 824 CB ALA A 52 0.426 2.335 3.410 1.00 0.00 C ATOM 0 H ALA A 52 -1.064 3.677 1.930 1.00 0.00 H new ATOM 0 HA ALA A 52 1.226 1.935 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.959 1.506 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.000 3.253 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.550 2.449 3.882 1.00 0.00 H new ATOM 830 N VAL A 53 0.121 -0.357 1.580 1.00 0.00 N ATOM 831 CA VAL A 53 -0.541 -1.654 1.546 1.00 0.00 C ATOM 832 C VAL A 53 -0.990 -1.990 2.976 1.00 0.00 C ATOM 833 O VAL A 53 -0.287 -1.678 3.942 1.00 0.00 O ATOM 834 CB VAL A 53 0.408 -2.706 0.945 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.265 -4.070 0.756 1.00 0.00 C ATOM 836 CG2 VAL A 53 0.928 -2.266 -0.435 1.00 0.00 C ATOM 0 H VAL A 53 1.136 -0.401 1.493 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.424 -1.641 0.907 1.00 0.00 H new ATOM 0 HB VAL A 53 1.225 -2.796 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.451 -4.773 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.609 -4.443 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.116 -3.966 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.596 -3.030 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.087 -2.130 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.471 -1.326 -0.337 1.00 0.00 H new ATOM 846 N LEU A 54 -2.143 -2.649 3.105 1.00 0.00 N ATOM 847 CA LEU A 54 -2.648 -3.215 4.351 1.00 0.00 C ATOM 848 C LEU A 54 -2.619 -4.740 4.277 1.00 0.00 C ATOM 849 O LEU A 54 -2.345 -5.363 5.301 1.00 0.00 O ATOM 850 CB LEU A 54 -4.086 -2.750 4.677 1.00 0.00 C ATOM 851 CG LEU A 54 -4.288 -1.311 5.201 1.00 0.00 C ATOM 852 CD1 LEU A 54 -3.292 -0.915 6.298 1.00 0.00 C ATOM 853 CD2 LEU A 54 -4.259 -0.272 4.080 1.00 0.00 C ATOM 0 H LEU A 54 -2.770 -2.807 2.316 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.997 -2.858 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.685 -2.862 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.497 -3.435 5.419 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.283 -1.319 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.492 0.107 6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.399 -1.590 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.276 -0.981 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.406 0.722 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.296 -0.312 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.055 -0.484 3.366 1.00 0.00 H new ATOM 865 N ALA A 55 -2.835 -5.364 3.107 1.00 0.00 N ATOM 866 CA ALA A 55 -2.707 -6.819 2.986 1.00 0.00 C ATOM 867 C ALA A 55 -2.375 -7.241 1.555 1.00 0.00 C ATOM 868 O ALA A 55 -2.651 -6.506 0.607 1.00 0.00 O ATOM 869 CB ALA A 55 -4.003 -7.503 3.453 1.00 0.00 C ATOM 0 H ALA A 55 -3.096 -4.888 2.244 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.881 -7.134 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.898 -8.584 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.195 -7.246 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.836 -7.165 2.836 1.00 0.00 H new ATOM 875 N ILE A 56 -1.843 -8.456 1.405 1.00 0.00 N ATOM 876 CA ILE A 56 -1.589 -9.121 0.127 1.00 0.00 C ATOM 877 C ILE A 56 -2.060 -10.565 0.297 1.00 0.00 C ATOM 878 O ILE A 56 -1.761 -11.197 1.307 1.00 0.00 O ATOM 879 CB ILE A 56 -0.087 -9.083 -0.254 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.458 -7.640 -0.335 1.00 0.00 C ATOM 881 CG2 ILE A 56 0.128 -9.808 -1.600 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.980 -7.571 -0.481 1.00 0.00 C ATOM 0 H ILE A 56 -1.566 -9.026 2.204 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.120 -8.613 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 56 0.467 -9.594 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.004 -7.132 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.162 -7.097 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.185 -9.779 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.195 -10.845 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.454 -9.312 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.294 -6.528 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.450 -8.050 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.282 -8.086 -1.393 1.00 0.00 H new ATOM 894 N ASN A 57 -2.775 -11.101 -0.696 1.00 0.00 N ATOM 895 CA ASN A 57 -3.354 -12.451 -0.713 1.00 0.00 C ATOM 896 C ASN A 57 -4.141 -12.759 0.573 1.00 0.00 C ATOM 897 O ASN A 57 -4.193 -13.904 1.027 1.00 0.00 O ATOM 898 CB ASN A 57 -2.272 -13.504 -1.037 1.00 0.00 C ATOM 899 CG ASN A 57 -1.678 -13.378 -2.438 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.270 -12.790 -3.341 1.00 0.00 O ATOM 901 ND2 ASN A 57 -0.495 -13.933 -2.642 1.00 0.00 N ATOM 0 H ASN A 57 -2.976 -10.583 -1.551 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.089 -12.498 -1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.469 -13.421 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.704 -14.499 -0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.057 -13.878 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.020 -14.416 -1.880 1.00 0.00 H new ATOM 908 N GLY A 58 -4.729 -11.727 1.190 1.00 0.00 N ATOM 909 CA GLY A 58 -5.495 -11.823 2.430 1.00 0.00 C ATOM 910 C GLY A 58 -4.624 -11.837 3.693 1.00 0.00 C ATOM 911 O GLY A 58 -5.167 -11.724 4.794 1.00 0.00 O ATOM 0 H GLY A 58 -4.681 -10.775 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.187 -10.982 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.098 -12.731 2.405 1.00 0.00 H new ATOM 915 N MET A 59 -3.297 -11.950 3.567 1.00 0.00 N ATOM 916 CA MET A 59 -2.369 -11.838 4.682 1.00 0.00 C ATOM 917 C MET A 59 -2.081 -10.357 4.906 1.00 0.00 C ATOM 918 O MET A 59 -1.572 -9.674 4.015 1.00 0.00 O ATOM 919 CB MET A 59 -1.055 -12.588 4.394 1.00 0.00 C ATOM 920 CG MET A 59 -1.246 -14.103 4.253 1.00 0.00 C ATOM 921 SD MET A 59 -1.812 -14.939 5.762 1.00 0.00 S ATOM 922 CE MET A 59 -1.885 -16.644 5.148 1.00 0.00 C ATOM 0 H MET A 59 -2.838 -12.124 2.673 1.00 0.00 H new ATOM 0 HA MET A 59 -2.814 -12.286 5.570 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.613 -12.197 3.478 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.347 -12.390 5.199 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.966 -14.292 3.457 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.301 -14.547 3.940 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.217 -17.305 5.948 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.586 -16.701 4.315 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.895 -16.952 4.811 1.00 0.00 H new ATOM 932 N ASP A 60 -2.419 -9.864 6.096 1.00 0.00 N ATOM 933 CA ASP A 60 -2.034 -8.542 6.584 1.00 0.00 C ATOM 934 C ASP A 60 -0.530 -8.331 6.382 1.00 0.00 C ATOM 935 O ASP A 60 0.250 -9.274 6.553 1.00 0.00 O ATOM 936 CB ASP A 60 -2.397 -8.457 8.072 1.00 0.00 C ATOM 937 CG ASP A 60 -1.854 -7.187 8.747 1.00 0.00 C ATOM 938 OD1 ASP A 60 -2.529 -6.135 8.687 1.00 0.00 O ATOM 939 OD2 ASP A 60 -0.790 -7.257 9.400 1.00 0.00 O ATOM 0 H ASP A 60 -2.983 -10.388 6.765 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.561 -7.763 6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.481 -8.484 8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.004 -9.333 8.588 1.00 0.00 H new ATOM 944 N VAL A 61 -0.113 -7.112 6.032 1.00 0.00 N ATOM 945 CA VAL A 61 1.300 -6.754 5.962 1.00 0.00 C ATOM 946 C VAL A 61 1.645 -5.761 7.075 1.00 0.00 C ATOM 947 O VAL A 61 0.826 -4.937 7.488 1.00 0.00 O ATOM 948 CB VAL A 61 1.726 -6.279 4.556 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.443 -7.346 3.488 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.082 -4.961 4.112 1.00 0.00 C ATOM 0 H VAL A 61 -0.746 -6.349 5.790 1.00 0.00 H new ATOM 0 HA VAL A 61 1.891 -7.654 6.134 1.00 0.00 H new ATOM 0 HB VAL A 61 2.798 -6.106 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.756 -6.976 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.996 -8.255 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.376 -7.566 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.436 -4.701 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.002 -5.073 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.354 -4.170 4.811 1.00 0.00 H new ATOM 960 N ASN A 62 2.891 -5.844 7.532 1.00 0.00 N ATOM 961 CA ASN A 62 3.478 -5.081 8.617 1.00 0.00 C ATOM 962 C ASN A 62 4.721 -4.421 8.038 1.00 0.00 C ATOM 963 O ASN A 62 5.733 -5.090 7.810 1.00 0.00 O ATOM 964 CB ASN A 62 3.825 -6.017 9.787 1.00 0.00 C ATOM 965 CG ASN A 62 4.646 -5.316 10.868 1.00 0.00 C ATOM 966 OD1 ASN A 62 4.554 -4.108 11.070 1.00 0.00 O ATOM 967 ND2 ASN A 62 5.464 -6.061 11.592 1.00 0.00 N ATOM 0 H ASN A 62 3.561 -6.494 7.121 1.00 0.00 H new ATOM 0 HA ASN A 62 2.794 -4.329 9.011 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.905 -6.403 10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.382 -6.875 9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.027 -5.633 12.327 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.532 -7.063 11.415 1.00 0.00 H new ATOM 974 N GLY A 63 4.606 -3.132 7.719 1.00 0.00 N ATOM 975 CA GLY A 63 5.643 -2.328 7.086 1.00 0.00 C ATOM 976 C GLY A 63 5.883 -2.792 5.655 1.00 0.00 C ATOM 977 O GLY A 63 5.350 -2.207 4.713 1.00 0.00 O ATOM 0 H GLY A 63 3.754 -2.602 7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.349 -1.278 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.568 -2.402 7.658 1.00 0.00 H new ATOM 981 N ARG A 64 6.652 -3.868 5.494 1.00 0.00 N ATOM 982 CA ARG A 64 6.957 -4.495 4.211 1.00 0.00 C ATOM 983 C ARG A 64 7.176 -6.006 4.372 1.00 0.00 C ATOM 984 O ARG A 64 7.861 -6.618 3.553 1.00 0.00 O ATOM 985 CB ARG A 64 8.123 -3.769 3.501 1.00 0.00 C ATOM 986 CG ARG A 64 9.507 -3.843 4.171 1.00 0.00 C ATOM 987 CD ARG A 64 9.655 -2.902 5.373 1.00 0.00 C ATOM 988 NE ARG A 64 11.029 -2.908 5.895 1.00 0.00 N ATOM 989 CZ ARG A 64 11.499 -2.109 6.857 1.00 0.00 C ATOM 990 NH1 ARG A 64 10.755 -1.132 7.361 1.00 0.00 N ATOM 991 NH2 ARG A 64 12.725 -2.298 7.328 1.00 0.00 N ATOM 0 H ARG A 64 7.094 -4.343 6.281 1.00 0.00 H new ATOM 0 HA ARG A 64 6.094 -4.388 3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.212 -4.177 2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.854 -2.718 3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.690 -4.867 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.272 -3.601 3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.381 -1.889 5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.964 -3.204 6.160 1.00 0.00 H new ATOM 0 HE ARG A 64 11.679 -3.580 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.808 -0.982 7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.131 -0.532 8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.304 -3.051 6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.088 -1.691 8.062 1.00 0.00 H new ATOM 1005 N TYR A 65 6.595 -6.625 5.401 1.00 0.00 N ATOM 1006 CA TYR A 65 6.668 -8.070 5.606 1.00 0.00 C ATOM 1007 C TYR A 65 5.246 -8.590 5.788 1.00 0.00 C ATOM 1008 O TYR A 65 4.419 -7.883 6.364 1.00 0.00 O ATOM 1009 CB TYR A 65 7.571 -8.382 6.810 1.00 0.00 C ATOM 1010 CG TYR A 65 8.923 -7.692 6.732 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.937 -8.209 5.901 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.129 -6.475 7.411 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.138 -7.498 5.720 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.330 -5.764 7.241 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.335 -6.264 6.384 1.00 0.00 C ATOM 1016 OH TYR A 65 12.467 -5.529 6.178 1.00 0.00 O ATOM 0 H TYR A 65 6.059 -6.135 6.117 1.00 0.00 H new ATOM 0 HA TYR A 65 7.113 -8.571 4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.065 -8.076 7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.722 -9.460 6.874 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.792 -9.155 5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.362 -6.087 8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.909 -7.894 5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.484 -4.833 7.767 1.00 0.00 H new ATOM 0 HH TYR A 65 12.800 -5.688 5.270 1.00 0.00 H new ATOM 1026 N THR A 66 4.924 -9.780 5.284 1.00 0.00 N ATOM 1027 CA THR A 66 3.608 -10.369 5.506 1.00 0.00 C ATOM 1028 C THR A 66 3.453 -10.792 6.969 1.00 0.00 C ATOM 1029 O THR A 66 4.414 -10.809 7.745 1.00 0.00 O ATOM 1030 CB THR A 66 3.370 -11.561 4.561 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.352 -12.561 4.749 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.362 -11.141 3.093 1.00 0.00 C ATOM 0 H THR A 66 5.554 -10.352 4.722 1.00 0.00 H new ATOM 0 HA THR A 66 2.854 -9.614 5.285 1.00 0.00 H new ATOM 0 HB THR A 66 2.387 -11.960 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.179 -13.308 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.191 -12.016 2.465 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.567 -10.414 2.927 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.322 -10.693 2.837 1.00 0.00 H new ATOM 1040 N ALA A 67 2.233 -11.200 7.321 1.00 0.00 N ATOM 1041 CA ALA A 67 1.925 -11.844 8.588 1.00 0.00 C ATOM 1042 C ALA A 67 2.814 -13.077 8.805 1.00 0.00 C ATOM 1043 O ALA A 67 3.265 -13.331 9.922 1.00 0.00 O ATOM 1044 CB ALA A 67 0.448 -12.252 8.569 1.00 0.00 C ATOM 0 H ALA A 67 1.418 -11.087 6.718 1.00 0.00 H new ATOM 0 HA ALA A 67 2.116 -11.152 9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.193 -12.738 9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.173 -11.366 8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.272 -12.943 7.745 1.00 0.00 H new ATOM 1050 N ASP A 68 3.072 -13.832 7.730 1.00 0.00 N ATOM 1051 CA ASP A 68 3.968 -14.990 7.752 1.00 0.00 C ATOM 1052 C ASP A 68 5.435 -14.564 7.888 1.00 0.00 C ATOM 1053 O ASP A 68 6.193 -15.209 8.614 1.00 0.00 O ATOM 1054 CB ASP A 68 3.793 -15.826 6.481 1.00 0.00 C ATOM 1055 CG ASP A 68 4.724 -17.050 6.508 1.00 0.00 C ATOM 1056 OD1 ASP A 68 4.413 -18.032 7.220 1.00 0.00 O ATOM 1057 OD2 ASP A 68 5.755 -17.046 5.801 1.00 0.00 O ATOM 0 H ASP A 68 2.660 -13.653 6.814 1.00 0.00 H new ATOM 0 HA ASP A 68 3.703 -15.591 8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.757 -16.152 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.011 -15.216 5.605 1.00 0.00 H new ATOM 1062 N GLY A 69 5.825 -13.464 7.232 1.00 0.00 N ATOM 1063 CA GLY A 69 7.139 -12.835 7.360 1.00 0.00 C ATOM 1064 C GLY A 69 7.863 -12.642 6.024 1.00 0.00 C ATOM 1065 O GLY A 69 9.012 -12.195 6.019 1.00 0.00 O ATOM 0 H GLY A 69 5.214 -12.975 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.022 -11.865 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.761 -13.444 8.015 1.00 0.00 H new ATOM 1069 N LYS A 70 7.235 -12.989 4.894 1.00 0.00 N ATOM 1070 CA LYS A 70 7.813 -12.823 3.561 1.00 0.00 C ATOM 1071 C LYS A 70 8.008 -11.333 3.310 1.00 0.00 C ATOM 1072 O LYS A 70 7.088 -10.558 3.566 1.00 0.00 O ATOM 1073 CB LYS A 70 6.874 -13.405 2.485 1.00 0.00 C ATOM 1074 CG LYS A 70 6.469 -14.877 2.666 1.00 0.00 C ATOM 1075 CD LYS A 70 7.652 -15.844 2.518 1.00 0.00 C ATOM 1076 CE LYS A 70 7.165 -17.290 2.683 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.268 -18.274 2.559 1.00 0.00 N ATOM 0 H LYS A 70 6.300 -13.397 4.883 1.00 0.00 H new ATOM 0 HA LYS A 70 8.765 -13.352 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.967 -12.801 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.357 -13.299 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.021 -15.007 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.704 -15.131 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.118 -15.717 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.413 -15.619 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.689 -17.402 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.405 -17.503 1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.890 -19.236 2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.706 -18.188 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.982 -18.090 3.293 1.00 0.00 H new ATOM 1091 N GLU A 71 9.171 -10.921 2.805 1.00 0.00 N ATOM 1092 CA GLU A 71 9.369 -9.555 2.335 1.00 0.00 C ATOM 1093 C GLU A 71 8.443 -9.380 1.127 1.00 0.00 C ATOM 1094 O GLU A 71 8.520 -10.145 0.163 1.00 0.00 O ATOM 1095 CB GLU A 71 10.860 -9.330 2.039 1.00 0.00 C ATOM 1096 CG GLU A 71 11.221 -7.853 1.821 1.00 0.00 C ATOM 1097 CD GLU A 71 10.691 -7.302 0.492 1.00 0.00 C ATOM 1098 OE1 GLU A 71 11.124 -7.792 -0.573 1.00 0.00 O ATOM 1099 OE2 GLU A 71 9.833 -6.393 0.514 1.00 0.00 O ATOM 0 H GLU A 71 9.992 -11.519 2.712 1.00 0.00 H new ATOM 0 HA GLU A 71 9.111 -8.796 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.451 -9.723 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.137 -9.899 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.817 -7.260 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.305 -7.741 1.849 1.00 0.00 H new ATOM 1106 N VAL A 72 7.529 -8.418 1.208 1.00 0.00 N ATOM 1107 CA VAL A 72 6.432 -8.250 0.266 1.00 0.00 C ATOM 1108 C VAL A 72 6.881 -8.043 -1.182 1.00 0.00 C ATOM 1109 O VAL A 72 6.245 -8.591 -2.079 1.00 0.00 O ATOM 1110 CB VAL A 72 5.508 -7.115 0.743 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.844 -7.477 2.083 1.00 0.00 C ATOM 1112 CG2 VAL A 72 6.226 -5.762 0.827 1.00 0.00 C ATOM 0 H VAL A 72 7.532 -7.717 1.949 1.00 0.00 H new ATOM 0 HA VAL A 72 5.878 -9.189 0.253 1.00 0.00 H new ATOM 0 HB VAL A 72 4.728 -7.004 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.196 -6.660 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.252 -8.384 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.613 -7.643 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.526 -4.999 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.056 -5.834 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.607 -5.490 -0.158 1.00 0.00 H new ATOM 1122 N LEU A 73 7.939 -7.274 -1.449 1.00 0.00 N ATOM 1123 CA LEU A 73 8.318 -6.963 -2.823 1.00 0.00 C ATOM 1124 C LEU A 73 8.912 -8.203 -3.488 1.00 0.00 C ATOM 1125 O LEU A 73 8.571 -8.488 -4.635 1.00 0.00 O ATOM 1126 CB LEU A 73 9.281 -5.764 -2.877 1.00 0.00 C ATOM 1127 CG LEU A 73 8.641 -4.423 -2.455 1.00 0.00 C ATOM 1128 CD1 LEU A 73 9.717 -3.334 -2.381 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.545 -3.974 -3.429 1.00 0.00 C ATOM 0 H LEU A 73 8.541 -6.860 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 73 7.427 -6.673 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.134 -5.967 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.667 -5.667 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 73 8.184 -4.577 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.260 -2.390 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.473 -3.618 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.185 -3.218 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.124 -3.027 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.972 -3.847 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.759 -4.728 -3.465 1.00 0.00 H new ATOM 1141 N GLU A 74 9.733 -8.981 -2.780 1.00 0.00 N ATOM 1142 CA GLU A 74 10.223 -10.268 -3.262 1.00 0.00 C ATOM 1143 C GLU A 74 9.050 -11.242 -3.453 1.00 0.00 C ATOM 1144 O GLU A 74 8.952 -11.902 -4.490 1.00 0.00 O ATOM 1145 CB GLU A 74 11.258 -10.816 -2.263 1.00 0.00 C ATOM 1146 CG GLU A 74 11.982 -12.081 -2.748 1.00 0.00 C ATOM 1147 CD GLU A 74 12.950 -11.796 -3.912 1.00 0.00 C ATOM 1148 OE1 GLU A 74 14.132 -11.464 -3.658 1.00 0.00 O ATOM 1149 OE2 GLU A 74 12.553 -11.923 -5.092 1.00 0.00 O ATOM 0 H GLU A 74 10.077 -8.732 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 74 10.707 -10.146 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.997 -10.041 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.758 -11.035 -1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.536 -12.520 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.245 -12.819 -3.065 1.00 0.00 H new ATOM 1156 N TYR A 75 8.132 -11.300 -2.484 1.00 0.00 N ATOM 1157 CA TYR A 75 6.963 -12.175 -2.513 1.00 0.00 C ATOM 1158 C TYR A 75 6.093 -11.897 -3.743 1.00 0.00 C ATOM 1159 O TYR A 75 5.669 -12.834 -4.419 1.00 0.00 O ATOM 1160 CB TYR A 75 6.176 -11.979 -1.210 1.00 0.00 C ATOM 1161 CG TYR A 75 4.897 -12.782 -1.074 1.00 0.00 C ATOM 1162 CD1 TYR A 75 4.957 -14.175 -0.882 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.648 -12.129 -1.091 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.775 -14.918 -0.704 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.464 -12.865 -0.913 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.520 -14.264 -0.720 1.00 0.00 C ATOM 1167 OH TYR A 75 1.360 -14.966 -0.565 1.00 0.00 O ATOM 0 H TYR A 75 8.184 -10.727 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 75 7.284 -13.214 -2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.829 -12.230 -0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.929 -10.922 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.914 -14.676 -0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.601 -11.061 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.826 -15.987 -0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.509 -12.360 -0.924 1.00 0.00 H new ATOM 0 HH TYR A 75 0.810 -14.540 0.125 1.00 0.00 H new ATOM 1177 N LEU A 76 5.851 -10.622 -4.053 1.00 0.00 N ATOM 1178 CA LEU A 76 5.090 -10.190 -5.221 1.00 0.00 C ATOM 1179 C LEU A 76 5.884 -10.433 -6.507 1.00 0.00 C ATOM 1180 O LEU A 76 5.307 -10.789 -7.534 1.00 0.00 O ATOM 1181 CB LEU A 76 4.801 -8.684 -5.103 1.00 0.00 C ATOM 1182 CG LEU A 76 3.721 -8.299 -4.074 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.762 -6.786 -3.838 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.318 -8.711 -4.531 1.00 0.00 C ATOM 0 H LEU A 76 6.188 -9.845 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 76 4.162 -10.761 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.727 -8.173 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.497 -8.312 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 76 3.935 -8.833 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.999 -6.510 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.744 -6.503 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.572 -6.266 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.589 -8.420 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.082 -8.215 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.284 -9.791 -4.671 1.00 0.00 H new ATOM 1196 N GLY A 77 7.201 -10.218 -6.456 1.00 0.00 N ATOM 1197 CA GLY A 77 8.087 -10.305 -7.606 1.00 0.00 C ATOM 1198 C GLY A 77 8.236 -11.737 -8.117 1.00 0.00 C ATOM 1199 O GLY A 77 8.421 -11.932 -9.317 1.00 0.00 O ATOM 0 H GLY A 77 7.686 -9.974 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.702 -9.674 -8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.068 -9.914 -7.336 1.00 0.00 H new ATOM 1203 N ASN A 78 8.137 -12.731 -7.228 1.00 0.00 N ATOM 1204 CA ASN A 78 8.138 -14.151 -7.576 1.00 0.00 C ATOM 1205 C ASN A 78 6.985 -14.445 -8.548 1.00 0.00 C ATOM 1206 O ASN A 78 5.828 -14.344 -8.130 1.00 0.00 O ATOM 1207 CB ASN A 78 7.985 -14.987 -6.292 1.00 0.00 C ATOM 1208 CG ASN A 78 7.877 -16.488 -6.558 1.00 0.00 C ATOM 1209 OD1 ASN A 78 8.020 -16.966 -7.680 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.613 -17.270 -5.525 1.00 0.00 N ATOM 0 H ASN A 78 8.052 -12.564 -6.225 1.00 0.00 H new ATOM 0 HA ASN A 78 9.078 -14.413 -8.062 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.839 -14.801 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.097 -14.655 -5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.527 -18.278 -5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.496 -16.866 -4.596 1.00 0.00 H new ATOM 1217 N PRO A 79 7.230 -14.838 -9.813 1.00 0.00 N ATOM 1218 CA PRO A 79 6.154 -15.020 -10.776 1.00 0.00 C ATOM 1219 C PRO A 79 5.274 -16.241 -10.494 1.00 0.00 C ATOM 1220 O PRO A 79 4.162 -16.306 -11.020 1.00 0.00 O ATOM 1221 CB PRO A 79 6.812 -15.027 -12.151 1.00 0.00 C ATOM 1222 CG PRO A 79 8.205 -15.586 -11.855 1.00 0.00 C ATOM 1223 CD PRO A 79 8.519 -15.044 -10.458 1.00 0.00 C ATOM 0 HA PRO A 79 5.435 -14.204 -10.708 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.267 -15.653 -12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.860 -14.027 -12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.212 -16.676 -11.874 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.937 -15.250 -12.590 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.130 -15.748 -9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.080 -14.111 -10.517 1.00 0.00 H new ATOM 1231 N ALA A 80 5.692 -17.166 -9.617 1.00 0.00 N ATOM 1232 CA ALA A 80 4.807 -18.227 -9.129 1.00 0.00 C ATOM 1233 C ALA A 80 3.626 -17.628 -8.338 1.00 0.00 C ATOM 1234 O ALA A 80 2.632 -18.310 -8.084 1.00 0.00 O ATOM 1235 CB ALA A 80 5.592 -19.191 -8.234 1.00 0.00 C ATOM 0 H ALA A 80 6.637 -17.198 -9.233 1.00 0.00 H new ATOM 0 HA ALA A 80 4.413 -18.770 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.928 -19.977 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.406 -19.637 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.002 -18.646 -7.384 1.00 0.00 H new ATOM 1241 N ASN A 81 3.746 -16.353 -7.953 1.00 0.00 N ATOM 1242 CA ASN A 81 2.811 -15.554 -7.181 1.00 0.00 C ATOM 1243 C ASN A 81 2.635 -14.193 -7.884 1.00 0.00 C ATOM 1244 O ASN A 81 2.516 -13.160 -7.232 1.00 0.00 O ATOM 1245 CB ASN A 81 3.371 -15.434 -5.754 1.00 0.00 C ATOM 1246 CG ASN A 81 2.457 -14.665 -4.806 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.255 -14.907 -4.724 1.00 0.00 O ATOM 1248 ND2 ASN A 81 3.026 -13.756 -4.037 1.00 0.00 N ATOM 0 H ASN A 81 4.576 -15.814 -8.200 1.00 0.00 H new ATOM 0 HA ASN A 81 1.822 -16.008 -7.115 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.540 -16.433 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.341 -14.938 -5.793 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.466 -13.239 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.025 -13.570 -4.121 1.00 0.00 H new ATOM 1255 N TYR A 82 2.685 -14.165 -9.225 1.00 0.00 N ATOM 1256 CA TYR A 82 2.318 -12.979 -10.001 1.00 0.00 C ATOM 1257 C TYR A 82 0.827 -12.641 -9.842 1.00 0.00 C ATOM 1258 O TYR A 82 0.543 -11.486 -9.526 1.00 0.00 O ATOM 1259 CB TYR A 82 2.674 -13.139 -11.495 1.00 0.00 C ATOM 1260 CG TYR A 82 3.915 -12.437 -12.038 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.899 -11.846 -11.211 1.00 0.00 C ATOM 1262 CD2 TYR A 82 4.067 -12.373 -13.438 1.00 0.00 C ATOM 1263 CE1 TYR A 82 6.016 -11.210 -11.779 1.00 0.00 C ATOM 1264 CE2 TYR A 82 5.173 -11.723 -14.012 1.00 0.00 C ATOM 1265 CZ TYR A 82 6.157 -11.138 -13.185 1.00 0.00 C ATOM 1266 OH TYR A 82 7.227 -10.511 -13.750 1.00 0.00 O ATOM 0 H TYR A 82 2.979 -14.959 -9.794 1.00 0.00 H new ATOM 0 HA TYR A 82 2.902 -12.150 -9.602 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.785 -14.205 -11.695 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.819 -12.793 -12.076 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.791 -11.884 -10.137 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.325 -12.829 -14.077 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.770 -10.774 -11.140 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.270 -11.671 -15.086 1.00 0.00 H new ATOM 0 HH TYR A 82 7.157 -10.561 -14.726 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.136 -13.563 -10.058 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.543 -13.256 -9.827 1.00 0.00 C ATOM 1278 C PRO A 83 -1.786 -13.152 -8.319 1.00 0.00 C ATOM 1279 O PRO A 83 -1.462 -14.082 -7.572 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.338 -14.387 -10.486 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.370 -15.569 -10.476 1.00 0.00 C ATOM 1282 CD PRO A 83 0.003 -14.909 -10.606 1.00 0.00 C ATOM 0 HA PRO A 83 -1.853 -12.303 -10.256 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.249 -14.612 -9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.639 -14.126 -11.500 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.452 -16.147 -9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.565 -16.254 -11.301 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.759 -15.474 -10.061 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.320 -14.874 -11.648 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.345 -12.029 -7.868 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.458 -11.678 -6.453 1.00 0.00 C ATOM 1292 C VAL A 84 -3.722 -10.859 -6.204 1.00 0.00 C ATOM 1293 O VAL A 84 -4.377 -10.395 -7.141 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.202 -10.896 -5.976 1.00 0.00 C ATOM 1295 CG1 VAL A 84 0.028 -11.797 -5.922 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -0.876 -9.653 -6.825 1.00 0.00 C ATOM 0 H VAL A 84 -2.740 -11.323 -8.490 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.524 -12.602 -5.878 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.457 -10.547 -4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.888 -11.219 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.152 -12.618 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.228 -12.199 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.013 -9.164 -6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.693 -9.955 -7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.717 -8.960 -6.793 1.00 0.00 H new ATOM 1306 N SER A 85 -4.026 -10.641 -4.930 1.00 0.00 N ATOM 1307 CA SER A 85 -5.045 -9.718 -4.455 1.00 0.00 C ATOM 1308 C SER A 85 -4.328 -8.802 -3.472 1.00 0.00 C ATOM 1309 O SER A 85 -3.488 -9.283 -2.706 1.00 0.00 O ATOM 1310 CB SER A 85 -6.179 -10.491 -3.771 1.00 0.00 C ATOM 1311 OG SER A 85 -6.729 -11.468 -4.641 1.00 0.00 O ATOM 0 H SER A 85 -3.548 -11.124 -4.169 1.00 0.00 H new ATOM 0 HA SER A 85 -5.502 -9.149 -5.265 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.802 -10.974 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.959 -9.797 -3.459 1.00 0.00 H new ATOM 0 HG SER A 85 -7.449 -11.948 -4.181 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.606 -7.500 -3.487 1.00 0.00 N ATOM 1318 CA ILE A 86 -3.905 -6.535 -2.643 1.00 0.00 C ATOM 1319 C ILE A 86 -4.965 -5.599 -2.069 1.00 0.00 C ATOM 1320 O ILE A 86 -5.887 -5.194 -2.782 1.00 0.00 O ATOM 1321 CB ILE A 86 -2.799 -5.790 -3.442 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -1.832 -6.789 -4.125 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.006 -4.834 -2.527 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -0.652 -6.154 -4.865 1.00 0.00 C ATOM 0 H ILE A 86 -5.322 -7.085 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.377 -7.028 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.295 -5.204 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.441 -7.468 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.400 -7.394 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.239 -4.325 -3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.684 -4.096 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.535 -5.404 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.036 -6.937 -5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.026 -5.499 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.053 -5.574 -4.164 1.00 0.00 H new ATOM 1336 N ARG A 87 -4.811 -5.250 -0.790 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.611 -4.247 -0.101 1.00 0.00 C ATOM 1338 C ARG A 87 -4.660 -3.139 0.312 1.00 0.00 C ATOM 1339 O ARG A 87 -3.612 -3.444 0.890 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.287 -4.822 1.154 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.138 -6.086 0.926 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.209 -6.291 2.012 1.00 0.00 C ATOM 1343 NE ARG A 87 -9.165 -5.165 2.064 1.00 0.00 N ATOM 1344 CZ ARG A 87 -9.168 -4.159 2.947 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -8.379 -4.137 4.015 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -9.963 -3.126 2.740 1.00 0.00 N ATOM 0 H ARG A 87 -4.103 -5.674 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.401 -3.890 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.515 -5.052 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.922 -4.051 1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.623 -6.020 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.484 -6.958 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.750 -7.217 1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.725 -6.401 2.982 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.898 -5.153 1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.735 -4.909 4.190 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.416 -3.348 4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.564 -3.102 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.976 -2.352 3.404 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.020 -1.886 0.058 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.201 -0.704 0.310 1.00 0.00 C ATOM 1362 C PHE A 88 -5.103 0.445 0.765 1.00 0.00 C ATOM 1363 O PHE A 88 -6.327 0.356 0.667 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.402 -0.337 -0.956 1.00 0.00 C ATOM 1365 CG PHE A 88 -4.236 -0.156 -2.214 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -4.803 1.098 -2.519 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -4.459 -1.248 -3.077 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -5.595 1.254 -3.669 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -5.268 -1.095 -4.216 1.00 0.00 C ATOM 1370 CZ PHE A 88 -5.840 0.154 -4.512 1.00 0.00 C ATOM 0 H PHE A 88 -5.928 -1.656 -0.346 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.481 -0.908 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.854 0.586 -0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.662 -1.116 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.628 1.941 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.007 -2.205 -2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.016 2.220 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.450 -1.939 -4.865 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.466 0.269 -5.384 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.523 1.521 1.292 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.277 2.615 1.879 1.00 0.00 C ATOM 1382 C GLY A 89 -4.370 3.595 2.606 1.00 0.00 C ATOM 1383 O GLY A 89 -3.147 3.594 2.427 1.00 0.00 O ATOM 0 H GLY A 89 -3.512 1.655 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.827 3.139 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.015 2.216 2.575 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.976 4.461 3.420 1.00 0.00 N ATOM 1388 CA ARG A 90 -4.223 5.327 4.326 1.00 0.00 C ATOM 1389 C ARG A 90 -3.393 4.436 5.268 1.00 0.00 C ATOM 1390 O ARG A 90 -3.912 3.399 5.691 1.00 0.00 O ATOM 1391 CB ARG A 90 -5.173 6.235 5.134 1.00 0.00 C ATOM 1392 CG ARG A 90 -6.213 7.035 4.328 1.00 0.00 C ATOM 1393 CD ARG A 90 -5.657 7.786 3.112 1.00 0.00 C ATOM 1394 NE ARG A 90 -4.654 8.804 3.473 1.00 0.00 N ATOM 1395 CZ ARG A 90 -3.941 9.533 2.607 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -3.985 9.299 1.299 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -3.184 10.517 3.075 1.00 0.00 N ATOM 0 H ARG A 90 -5.988 4.581 3.470 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.563 5.976 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.705 5.615 5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.568 6.940 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.991 6.351 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.690 7.755 4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.208 7.070 2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.479 8.266 2.581 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.490 8.966 4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.572 8.549 0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.431 9.870 0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.154 10.705 4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.632 11.086 2.433 1.00 0.00 H new