USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=10 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 Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 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= -0.363 K(o=-0.36,f=-6.2!) USER MOD Single : A 57 ASN : amide:sc= -0.478 K(o=-0.48,f=-2.4!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0561 K(o=-0.056,f=-0.85) USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.561 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.21) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.0586 K(o=0.059,f=-7!) USER MOD Single : A 81 ASN : amide:sc= 0.923 K(o=0.92,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 290 N LYS A 20 -8.890 -6.118 -4.259 1.00 0.00 N ATOM 291 CA LYS A 20 -9.032 -6.395 -5.690 1.00 0.00 C ATOM 292 C LYS A 20 -8.020 -7.480 -6.066 1.00 0.00 C ATOM 293 O LYS A 20 -7.016 -7.657 -5.371 1.00 0.00 O ATOM 294 CB LYS A 20 -8.804 -5.143 -6.567 1.00 0.00 C ATOM 295 CG LYS A 20 -9.781 -3.959 -6.410 1.00 0.00 C ATOM 296 CD LYS A 20 -9.570 -3.015 -5.210 1.00 0.00 C ATOM 297 CE LYS A 20 -8.140 -2.464 -5.117 1.00 0.00 C ATOM 298 NZ LYS A 20 -7.927 -1.696 -3.868 1.00 0.00 N ATOM 0 HA LYS A 20 -10.055 -6.723 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.798 -4.774 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.826 -5.458 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.734 -3.361 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.791 -4.363 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.269 -2.182 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.807 -3.549 -4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.429 -3.289 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.941 -1.824 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.950 -1.340 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.589 -0.894 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.093 -2.314 -3.048 1.00 0.00 H new ATOM 312 N THR A 21 -8.274 -8.194 -7.158 1.00 0.00 N ATOM 313 CA THR A 21 -7.328 -9.114 -7.776 1.00 0.00 C ATOM 314 C THR A 21 -6.304 -8.320 -8.600 1.00 0.00 C ATOM 315 O THR A 21 -6.649 -7.300 -9.208 1.00 0.00 O ATOM 316 CB THR A 21 -8.105 -10.131 -8.634 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.192 -9.527 -9.321 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.687 -11.240 -7.749 1.00 0.00 C ATOM 0 H THR A 21 -9.167 -8.147 -7.649 1.00 0.00 H new ATOM 0 HA THR A 21 -6.776 -9.668 -7.017 1.00 0.00 H new ATOM 0 HB THR A 21 -7.394 -10.533 -9.356 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.658 -10.204 -9.855 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.233 -11.951 -8.369 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.878 -11.756 -7.232 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.365 -10.802 -7.016 1.00 0.00 H new ATOM 326 N PHE A 22 -5.055 -8.790 -8.639 1.00 0.00 N ATOM 327 CA PHE A 22 -3.946 -8.186 -9.365 1.00 0.00 C ATOM 328 C PHE A 22 -3.078 -9.276 -9.996 1.00 0.00 C ATOM 329 O PHE A 22 -3.061 -10.421 -9.531 1.00 0.00 O ATOM 330 CB PHE A 22 -3.090 -7.335 -8.414 1.00 0.00 C ATOM 331 CG PHE A 22 -3.800 -6.110 -7.881 1.00 0.00 C ATOM 332 CD1 PHE A 22 -3.833 -4.927 -8.642 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.454 -6.160 -6.638 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.511 -3.797 -8.155 1.00 0.00 C ATOM 335 CE2 PHE A 22 -5.119 -5.027 -6.143 1.00 0.00 C ATOM 336 CZ PHE A 22 -5.145 -3.844 -6.901 1.00 0.00 C ATOM 0 H PHE A 22 -4.782 -9.638 -8.143 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.351 -7.547 -10.150 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.773 -7.954 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.187 -7.021 -8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.337 -4.888 -9.601 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.445 -7.073 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.545 -2.892 -8.744 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.610 -5.065 -5.182 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.652 -2.970 -6.520 1.00 0.00 H new ATOM 346 N SER A 23 -2.335 -8.856 -11.021 1.00 0.00 N ATOM 347 CA SER A 23 -1.334 -9.593 -11.780 1.00 0.00 C ATOM 348 C SER A 23 -0.254 -8.580 -12.194 1.00 0.00 C ATOM 349 O SER A 23 -0.421 -7.377 -11.966 1.00 0.00 O ATOM 350 CB SER A 23 -1.971 -10.243 -13.018 1.00 0.00 C ATOM 351 OG SER A 23 -3.031 -11.120 -12.669 1.00 0.00 O ATOM 0 H SER A 23 -2.431 -7.902 -11.370 1.00 0.00 H new ATOM 0 HA SER A 23 -0.902 -10.395 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.347 -9.466 -13.683 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.210 -10.795 -13.570 1.00 0.00 H new ATOM 0 HG SER A 23 -3.412 -11.513 -13.482 1.00 0.00 H new ATOM 357 N TYR A 24 0.831 -9.042 -12.823 1.00 0.00 N ATOM 358 CA TYR A 24 1.946 -8.206 -13.273 1.00 0.00 C ATOM 359 C TYR A 24 2.421 -8.699 -14.653 1.00 0.00 C ATOM 360 O TYR A 24 2.075 -9.825 -15.023 1.00 0.00 O ATOM 361 CB TYR A 24 3.082 -8.284 -12.241 1.00 0.00 C ATOM 362 CG TYR A 24 2.696 -7.805 -10.858 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.572 -6.427 -10.594 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.412 -8.743 -9.850 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.136 -5.992 -9.332 1.00 0.00 C ATOM 366 CE2 TYR A 24 1.957 -8.319 -8.591 1.00 0.00 C ATOM 367 CZ TYR A 24 1.805 -6.935 -8.333 1.00 0.00 C ATOM 368 OH TYR A 24 1.338 -6.492 -7.135 1.00 0.00 O ATOM 0 H TYR A 24 0.961 -10.031 -13.038 1.00 0.00 H new ATOM 0 HA TYR A 24 1.630 -7.167 -13.365 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.426 -9.316 -12.173 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.923 -7.690 -12.598 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.812 -5.706 -11.361 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.545 -9.797 -10.045 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.054 -4.935 -9.125 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.725 -9.044 -7.825 1.00 0.00 H new ATOM 0 HH TYR A 24 1.153 -7.258 -6.552 1.00 0.00 H new ATOM 378 N PRO A 25 3.226 -7.928 -15.420 1.00 0.00 N ATOM 379 CA PRO A 25 3.630 -6.534 -15.192 1.00 0.00 C ATOM 380 C PRO A 25 2.462 -5.556 -15.011 1.00 0.00 C ATOM 381 O PRO A 25 2.578 -4.618 -14.222 1.00 0.00 O ATOM 382 CB PRO A 25 4.464 -6.138 -16.417 1.00 0.00 C ATOM 383 CG PRO A 25 5.010 -7.468 -16.926 1.00 0.00 C ATOM 384 CD PRO A 25 3.865 -8.431 -16.628 1.00 0.00 C ATOM 0 HA PRO A 25 4.183 -6.474 -14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.856 -5.639 -17.172 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.267 -5.451 -16.150 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.242 -7.431 -17.990 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.926 -7.755 -16.410 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.159 -8.467 -17.458 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.236 -9.445 -16.481 1.00 0.00 H new ATOM 392 N LEU A 26 1.328 -5.823 -15.676 1.00 0.00 N ATOM 393 CA LEU A 26 0.132 -4.978 -15.694 1.00 0.00 C ATOM 394 C LEU A 26 0.538 -3.507 -15.892 1.00 0.00 C ATOM 395 O LEU A 26 1.208 -3.216 -16.887 1.00 0.00 O ATOM 396 CB LEU A 26 -0.756 -5.320 -14.476 1.00 0.00 C ATOM 397 CG LEU A 26 -2.171 -4.700 -14.441 1.00 0.00 C ATOM 398 CD1 LEU A 26 -2.962 -4.934 -15.734 1.00 0.00 C ATOM 399 CD2 LEU A 26 -2.953 -5.292 -13.262 1.00 0.00 C ATOM 0 H LEU A 26 1.218 -6.668 -16.237 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.513 -5.179 -16.550 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.860 -6.404 -14.427 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.228 -5.009 -13.574 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.045 -3.623 -14.330 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.947 -4.475 -15.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.427 -4.489 -16.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.075 -6.005 -15.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.952 -4.857 -13.233 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.031 -6.373 -13.383 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.433 -5.067 -12.331 1.00 0.00 H new ATOM 411 N ASP A 27 0.162 -2.585 -15.001 1.00 0.00 N ATOM 412 CA ASP A 27 0.460 -1.156 -15.135 1.00 0.00 C ATOM 413 C ASP A 27 0.509 -0.482 -13.756 1.00 0.00 C ATOM 414 O ASP A 27 -0.077 0.578 -13.533 1.00 0.00 O ATOM 415 CB ASP A 27 -0.551 -0.484 -16.082 1.00 0.00 C ATOM 416 CG ASP A 27 -0.127 0.949 -16.439 1.00 0.00 C ATOM 417 OD1 ASP A 27 1.024 1.154 -16.889 1.00 0.00 O ATOM 418 OD2 ASP A 27 -0.976 1.863 -16.336 1.00 0.00 O ATOM 0 H ASP A 27 -0.364 -2.812 -14.157 1.00 0.00 H new ATOM 0 HA ASP A 27 1.447 -1.037 -15.581 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.644 -1.074 -16.994 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.534 -0.466 -15.612 1.00 0.00 H new ATOM 423 N LEU A 28 1.163 -1.144 -12.795 1.00 0.00 N ATOM 424 CA LEU A 28 1.368 -0.658 -11.430 1.00 0.00 C ATOM 425 C LEU A 28 2.731 -1.125 -10.914 1.00 0.00 C ATOM 426 O LEU A 28 3.315 -2.061 -11.468 1.00 0.00 O ATOM 427 CB LEU A 28 0.217 -1.086 -10.492 1.00 0.00 C ATOM 428 CG LEU A 28 0.226 -2.543 -9.980 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.888 -2.721 -8.943 1.00 0.00 C ATOM 430 CD2 LEU A 28 0.024 -3.572 -11.101 1.00 0.00 C ATOM 0 H LEU A 28 1.577 -2.063 -12.953 1.00 0.00 H new ATOM 0 HA LEU A 28 1.361 0.432 -11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.224 -0.424 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.725 -0.918 -11.015 1.00 0.00 H new ATOM 0 HG LEU A 28 1.208 -2.721 -9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.885 -3.748 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.721 -2.040 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.852 -2.502 -9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.040 -4.577 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.936 -3.397 -11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.825 -3.473 -11.834 1.00 0.00 H new ATOM 442 N LEU A 29 3.240 -0.477 -9.863 1.00 0.00 N ATOM 443 CA LEU A 29 4.569 -0.712 -9.299 1.00 0.00 C ATOM 444 C LEU A 29 4.553 -0.303 -7.823 1.00 0.00 C ATOM 445 O LEU A 29 3.807 0.605 -7.451 1.00 0.00 O ATOM 446 CB LEU A 29 5.591 0.129 -10.093 1.00 0.00 C ATOM 447 CG LEU A 29 7.067 -0.025 -9.669 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.578 -1.461 -9.847 1.00 0.00 C ATOM 449 CD2 LEU A 29 7.937 0.925 -10.500 1.00 0.00 C ATOM 0 H LEU A 29 2.721 0.248 -9.367 1.00 0.00 H new ATOM 0 HA LEU A 29 4.847 -1.764 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.507 -0.134 -11.148 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.315 1.180 -10.003 1.00 0.00 H new ATOM 0 HG LEU A 29 7.130 0.221 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.621 -1.517 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.980 -2.138 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.497 -1.749 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.980 0.818 -10.202 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.835 0.681 -11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.616 1.953 -10.332 1.00 0.00 H new ATOM 461 N LEU A 30 5.406 -0.914 -6.995 1.00 0.00 N ATOM 462 CA LEU A 30 5.544 -0.616 -5.568 1.00 0.00 C ATOM 463 C LEU A 30 6.986 -0.200 -5.267 1.00 0.00 C ATOM 464 O LEU A 30 7.907 -0.611 -5.979 1.00 0.00 O ATOM 465 CB LEU A 30 5.197 -1.843 -4.702 1.00 0.00 C ATOM 466 CG LEU A 30 3.785 -2.436 -4.860 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.620 -3.597 -3.873 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.673 -1.413 -4.622 1.00 0.00 C ATOM 0 H LEU A 30 6.037 -1.651 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 30 4.853 0.192 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.920 -2.628 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.334 -1.568 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 30 3.691 -2.775 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.623 -4.024 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.366 -4.363 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.754 -3.231 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.703 -1.894 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.753 -1.018 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.770 -0.597 -5.338 1.00 0.00 H new ATOM 480 N LYS A 31 7.194 0.568 -4.193 1.00 0.00 N ATOM 481 CA LYS A 31 8.518 0.931 -3.674 1.00 0.00 C ATOM 482 C LYS A 31 8.468 0.989 -2.151 1.00 0.00 C ATOM 483 O LYS A 31 7.398 1.223 -1.594 1.00 0.00 O ATOM 484 CB LYS A 31 9.002 2.257 -4.303 1.00 0.00 C ATOM 485 CG LYS A 31 8.105 3.499 -4.103 1.00 0.00 C ATOM 486 CD LYS A 31 8.350 4.272 -2.797 1.00 0.00 C ATOM 487 CE LYS A 31 7.432 5.502 -2.694 1.00 0.00 C ATOM 488 NZ LYS A 31 7.825 6.606 -3.611 1.00 0.00 N ATOM 0 H LYS A 31 6.429 0.964 -3.647 1.00 0.00 H new ATOM 0 HA LYS A 31 9.247 0.170 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.988 2.483 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.126 2.098 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.256 4.177 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.062 3.184 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.177 3.614 -1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.392 4.588 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.408 5.202 -2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.442 5.870 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.169 7.404 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.792 6.917 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.789 6.270 -4.594 1.00 0.00 H new ATOM 502 N LEU A 32 9.604 0.793 -1.480 1.00 0.00 N ATOM 503 CA LEU A 32 9.722 0.931 -0.026 1.00 0.00 C ATOM 504 C LEU A 32 9.945 2.409 0.290 1.00 0.00 C ATOM 505 O LEU A 32 10.865 3.018 -0.260 1.00 0.00 O ATOM 506 CB LEU A 32 10.888 0.044 0.465 1.00 0.00 C ATOM 507 CG LEU A 32 11.204 0.005 1.979 1.00 0.00 C ATOM 508 CD1 LEU A 32 12.052 1.178 2.480 1.00 0.00 C ATOM 509 CD2 LEU A 32 9.958 -0.122 2.861 1.00 0.00 C ATOM 0 H LEU A 32 10.478 0.531 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 32 8.819 0.602 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.685 -0.977 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.791 0.368 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 32 11.799 -0.903 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.225 1.070 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.008 1.185 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.527 2.114 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.255 -0.143 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.301 0.730 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.430 -1.043 2.615 1.00 0.00 H new ATOM 521 N HIS A 33 9.127 2.985 1.174 1.00 0.00 N ATOM 522 CA HIS A 33 9.295 4.328 1.720 1.00 0.00 C ATOM 523 C HIS A 33 8.580 4.389 3.071 1.00 0.00 C ATOM 524 O HIS A 33 7.531 3.770 3.239 1.00 0.00 O ATOM 525 CB HIS A 33 8.709 5.367 0.755 1.00 0.00 C ATOM 526 CG HIS A 33 8.864 6.791 1.229 1.00 0.00 C ATOM 527 ND1 HIS A 33 10.010 7.553 1.165 1.00 0.00 N ATOM 528 CD2 HIS A 33 7.899 7.565 1.821 1.00 0.00 C ATOM 529 CE1 HIS A 33 9.741 8.756 1.701 1.00 0.00 C ATOM 530 NE2 HIS A 33 8.461 8.813 2.118 1.00 0.00 N ATOM 0 H HIS A 33 8.302 2.510 1.540 1.00 0.00 H new ATOM 0 HA HIS A 33 10.354 4.551 1.852 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.193 5.262 -0.216 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.650 5.156 0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.882 7.264 2.023 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.452 9.565 1.786 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.995 9.605 2.561 1.00 0.00 H new ATOM 538 N ASP A 34 9.130 5.139 4.031 1.00 0.00 N ATOM 539 CA ASP A 34 8.568 5.303 5.379 1.00 0.00 C ATOM 540 C ASP A 34 8.244 3.947 6.033 1.00 0.00 C ATOM 541 O ASP A 34 7.182 3.739 6.626 1.00 0.00 O ATOM 542 CB ASP A 34 7.390 6.290 5.348 1.00 0.00 C ATOM 543 CG ASP A 34 6.859 6.606 6.754 1.00 0.00 C ATOM 544 OD1 ASP A 34 7.661 6.681 7.714 1.00 0.00 O ATOM 545 OD2 ASP A 34 5.637 6.821 6.904 1.00 0.00 O ATOM 0 H ASP A 34 9.996 5.660 3.892 1.00 0.00 H new ATOM 0 HA ASP A 34 9.322 5.747 6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.706 7.215 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.585 5.873 4.743 1.00 0.00 H new ATOM 550 N GLU A 35 9.185 3.008 5.868 1.00 0.00 N ATOM 551 CA GLU A 35 9.147 1.604 6.287 1.00 0.00 C ATOM 552 C GLU A 35 7.883 0.826 5.870 1.00 0.00 C ATOM 553 O GLU A 35 7.543 -0.183 6.493 1.00 0.00 O ATOM 554 CB GLU A 35 9.568 1.441 7.764 1.00 0.00 C ATOM 555 CG GLU A 35 8.597 2.006 8.812 1.00 0.00 C ATOM 556 CD GLU A 35 9.027 1.622 10.239 1.00 0.00 C ATOM 557 OE1 GLU A 35 9.875 2.324 10.837 1.00 0.00 O ATOM 558 OE2 GLU A 35 8.511 0.623 10.790 1.00 0.00 O ATOM 0 H GLU A 35 10.063 3.231 5.400 1.00 0.00 H new ATOM 0 HA GLU A 35 9.911 1.094 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.709 0.379 7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.536 1.922 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.554 3.091 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.592 1.630 8.619 1.00 0.00 H new ATOM 565 N ARG A 36 7.213 1.227 4.781 1.00 0.00 N ATOM 566 CA ARG A 36 6.133 0.454 4.169 1.00 0.00 C ATOM 567 C ARG A 36 6.296 0.403 2.657 1.00 0.00 C ATOM 568 O ARG A 36 6.996 1.231 2.078 1.00 0.00 O ATOM 569 CB ARG A 36 4.773 1.086 4.500 1.00 0.00 C ATOM 570 CG ARG A 36 4.443 1.099 5.999 1.00 0.00 C ATOM 571 CD ARG A 36 2.997 1.562 6.227 1.00 0.00 C ATOM 572 NE ARG A 36 2.151 0.554 6.901 1.00 0.00 N ATOM 573 CZ ARG A 36 1.462 -0.435 6.311 1.00 0.00 C ATOM 574 NH1 ARG A 36 1.672 -0.738 5.035 1.00 0.00 N ATOM 575 NH2 ARG A 36 0.573 -1.135 7.008 1.00 0.00 N ATOM 0 H ARG A 36 7.410 2.104 4.299 1.00 0.00 H new ATOM 0 HA ARG A 36 6.178 -0.558 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.758 2.110 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.991 0.541 3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.582 0.102 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.131 1.763 6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.006 2.474 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.550 1.815 5.266 1.00 0.00 H new ATOM 0 HE ARG A 36 2.084 0.617 7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.362 -0.217 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.143 -1.492 4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.414 -0.921 7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.050 -1.886 6.558 1.00 0.00 H new ATOM 589 N VAL A 37 5.663 -0.570 2.004 1.00 0.00 N ATOM 590 CA VAL A 37 5.579 -0.543 0.549 1.00 0.00 C ATOM 591 C VAL A 37 4.445 0.422 0.205 1.00 0.00 C ATOM 592 O VAL A 37 3.351 0.322 0.772 1.00 0.00 O ATOM 593 CB VAL A 37 5.368 -1.939 -0.065 1.00 0.00 C ATOM 594 CG1 VAL A 37 6.687 -2.720 -0.094 1.00 0.00 C ATOM 595 CG2 VAL A 37 4.306 -2.778 0.655 1.00 0.00 C ATOM 0 H VAL A 37 5.211 -1.369 2.449 1.00 0.00 H new ATOM 0 HA VAL A 37 6.522 -0.206 0.119 1.00 0.00 H new ATOM 0 HB VAL A 37 5.005 -1.760 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.518 -3.704 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.418 -2.177 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.064 -2.835 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.214 -3.747 0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.600 -2.923 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.347 -2.261 0.618 1.00 0.00 H new ATOM 605 N LEU A 38 4.701 1.342 -0.724 1.00 0.00 N ATOM 606 CA LEU A 38 3.725 2.287 -1.242 1.00 0.00 C ATOM 607 C LEU A 38 3.595 2.064 -2.741 1.00 0.00 C ATOM 608 O LEU A 38 4.543 1.613 -3.389 1.00 0.00 O ATOM 609 CB LEU A 38 4.140 3.749 -0.982 1.00 0.00 C ATOM 610 CG LEU A 38 4.361 4.160 0.485 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.648 5.664 0.557 1.00 0.00 C ATOM 612 CD2 LEU A 38 3.171 3.849 1.394 1.00 0.00 C ATOM 0 H LEU A 38 5.623 1.450 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 38 2.777 2.119 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.061 3.943 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.374 4.399 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 38 5.206 3.572 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.804 5.955 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.543 5.892 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.801 6.216 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.398 4.166 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.290 4.383 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.975 2.777 1.383 1.00 0.00 H new ATOM 624 N VAL A 39 2.436 2.417 -3.290 1.00 0.00 N ATOM 625 CA VAL A 39 2.170 2.464 -4.720 1.00 0.00 C ATOM 626 C VAL A 39 3.117 3.501 -5.330 1.00 0.00 C ATOM 627 O VAL A 39 2.920 4.704 -5.143 1.00 0.00 O ATOM 628 CB VAL A 39 0.680 2.789 -4.961 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.345 2.860 -6.456 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.250 1.738 -4.334 1.00 0.00 C ATOM 0 H VAL A 39 1.629 2.688 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 39 2.354 1.503 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 39 0.518 3.759 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.713 3.091 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.945 3.639 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.565 1.901 -6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.288 2.008 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.041 0.761 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.081 1.699 -3.258 1.00 0.00 H new ATOM 640 N ALA A 40 4.143 3.032 -6.046 1.00 0.00 N ATOM 641 CA ALA A 40 5.044 3.878 -6.818 1.00 0.00 C ATOM 642 C ALA A 40 4.333 4.396 -8.068 1.00 0.00 C ATOM 643 O ALA A 40 4.543 5.539 -8.473 1.00 0.00 O ATOM 644 CB ALA A 40 6.281 3.073 -7.233 1.00 0.00 C ATOM 0 H ALA A 40 4.370 2.039 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 40 5.349 4.724 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.952 3.709 -7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.797 2.714 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.974 2.223 -7.842 1.00 0.00 H new ATOM 650 N PHE A 41 3.493 3.552 -8.671 1.00 0.00 N ATOM 651 CA PHE A 41 2.681 3.872 -9.833 1.00 0.00 C ATOM 652 C PHE A 41 1.459 2.956 -9.812 1.00 0.00 C ATOM 653 O PHE A 41 1.544 1.832 -9.320 1.00 0.00 O ATOM 654 CB PHE A 41 3.500 3.658 -11.115 1.00 0.00 C ATOM 655 CG PHE A 41 2.827 4.204 -12.359 1.00 0.00 C ATOM 656 CD1 PHE A 41 2.921 5.577 -12.662 1.00 0.00 C ATOM 657 CD2 PHE A 41 2.089 3.352 -13.205 1.00 0.00 C ATOM 658 CE1 PHE A 41 2.294 6.092 -13.810 1.00 0.00 C ATOM 659 CE2 PHE A 41 1.457 3.871 -14.347 1.00 0.00 C ATOM 660 CZ PHE A 41 1.566 5.237 -14.657 1.00 0.00 C ATOM 0 H PHE A 41 3.359 2.594 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 41 2.364 4.915 -9.810 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.473 4.135 -10.999 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.681 2.591 -11.248 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.476 6.235 -12.010 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.009 2.300 -12.975 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.371 7.144 -14.042 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.885 3.218 -14.989 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.092 5.630 -15.544 1.00 0.00 H new ATOM 780 N VAL A 49 -1.600 6.531 -6.106 1.00 0.00 N ATOM 781 CA VAL A 49 -0.161 6.689 -5.904 1.00 0.00 C ATOM 782 C VAL A 49 0.068 7.168 -4.462 1.00 0.00 C ATOM 783 O VAL A 49 -0.660 8.033 -3.967 1.00 0.00 O ATOM 784 CB VAL A 49 0.435 7.637 -6.968 1.00 0.00 C ATOM 785 CG1 VAL A 49 1.961 7.750 -6.840 1.00 0.00 C ATOM 786 CG2 VAL A 49 0.119 7.139 -8.390 1.00 0.00 C ATOM 0 HA VAL A 49 0.361 5.741 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.020 8.613 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.341 8.426 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.216 8.139 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.411 6.766 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.550 7.824 -9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.544 6.145 -8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.961 7.094 -8.528 1.00 0.00 H new ATOM 796 N GLY A 50 1.059 6.589 -3.781 1.00 0.00 N ATOM 797 CA GLY A 50 1.425 6.962 -2.422 1.00 0.00 C ATOM 798 C GLY A 50 0.597 6.263 -1.339 1.00 0.00 C ATOM 799 O GLY A 50 0.933 6.414 -0.164 1.00 0.00 O ATOM 0 H GLY A 50 1.634 5.840 -4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.479 6.732 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.314 8.041 -2.310 1.00 0.00 H new ATOM 803 N HIS A 51 -0.460 5.515 -1.682 1.00 0.00 N ATOM 804 CA HIS A 51 -1.143 4.657 -0.712 1.00 0.00 C ATOM 805 C HIS A 51 -0.256 3.448 -0.421 1.00 0.00 C ATOM 806 O HIS A 51 0.664 3.151 -1.184 1.00 0.00 O ATOM 807 CB HIS A 51 -2.519 4.205 -1.225 1.00 0.00 C ATOM 808 CG HIS A 51 -3.631 5.168 -0.898 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.615 6.541 -1.006 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.838 4.825 -0.355 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.793 7.004 -0.560 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.580 5.991 -0.156 1.00 0.00 N ATOM 0 H HIS A 51 -0.858 5.488 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.315 5.224 0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.469 4.074 -2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.755 3.231 -0.796 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -2.844 7.106 -1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.163 3.822 -0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.071 8.047 -0.530 1.00 0.00 H new ATOM 820 N ALA A 52 -0.549 2.734 0.665 1.00 0.00 N ATOM 821 CA ALA A 52 0.244 1.621 1.157 1.00 0.00 C ATOM 822 C ALA A 52 -0.501 0.307 0.958 1.00 0.00 C ATOM 823 O ALA A 52 -1.733 0.294 0.904 1.00 0.00 O ATOM 824 CB ALA A 52 0.495 1.835 2.651 1.00 0.00 C ATOM 0 H ALA A 52 -1.370 2.924 1.240 1.00 0.00 H new ATOM 0 HA ALA A 52 1.185 1.574 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.090 1.009 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.033 2.772 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.458 1.877 3.178 1.00 0.00 H new ATOM 830 N VAL A 53 0.237 -0.803 0.881 1.00 0.00 N ATOM 831 CA VAL A 53 -0.378 -2.125 0.927 1.00 0.00 C ATOM 832 C VAL A 53 -0.837 -2.315 2.375 1.00 0.00 C ATOM 833 O VAL A 53 -0.097 -2.003 3.313 1.00 0.00 O ATOM 834 CB VAL A 53 0.607 -3.231 0.495 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.044 -4.620 0.543 1.00 0.00 C ATOM 836 CG2 VAL A 53 1.125 -3.010 -0.936 1.00 0.00 C ATOM 0 H VAL A 53 1.253 -0.810 0.787 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.213 -2.197 0.230 1.00 0.00 H new ATOM 0 HB VAL A 53 1.435 -3.180 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.681 -5.372 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.374 -4.832 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.902 -4.643 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.816 -3.811 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.285 -3.010 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.642 -2.052 -0.992 1.00 0.00 H new ATOM 846 N LEU A 54 -2.041 -2.846 2.558 1.00 0.00 N ATOM 847 CA LEU A 54 -2.626 -3.147 3.860 1.00 0.00 C ATOM 848 C LEU A 54 -2.735 -4.657 4.031 1.00 0.00 C ATOM 849 O LEU A 54 -2.452 -5.147 5.126 1.00 0.00 O ATOM 850 CB LEU A 54 -4.000 -2.456 4.003 1.00 0.00 C ATOM 851 CG LEU A 54 -3.988 -1.140 4.809 1.00 0.00 C ATOM 852 CD1 LEU A 54 -3.810 -1.396 6.311 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.916 -0.150 4.338 1.00 0.00 C ATOM 0 H LEU A 54 -2.656 -3.086 1.780 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.983 -2.759 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.392 -2.251 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.691 -3.151 4.481 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.963 -0.688 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.807 -0.445 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.631 -2.013 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.865 -1.912 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.962 0.753 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.931 -0.605 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.092 0.107 3.293 1.00 0.00 H new ATOM 865 N ALA A 55 -3.046 -5.416 2.972 1.00 0.00 N ATOM 866 CA ALA A 55 -3.021 -6.876 3.052 1.00 0.00 C ATOM 867 C ALA A 55 -2.717 -7.495 1.692 1.00 0.00 C ATOM 868 O ALA A 55 -2.954 -6.865 0.664 1.00 0.00 O ATOM 869 CB ALA A 55 -4.360 -7.402 3.591 1.00 0.00 C ATOM 0 H ALA A 55 -3.315 -5.045 2.061 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.226 -7.164 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.328 -8.490 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.537 -6.994 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.166 -7.096 2.924 1.00 0.00 H new ATOM 875 N ILE A 56 -2.269 -8.751 1.686 1.00 0.00 N ATOM 876 CA ILE A 56 -2.103 -9.572 0.489 1.00 0.00 C ATOM 877 C ILE A 56 -2.734 -10.919 0.819 1.00 0.00 C ATOM 878 O ILE A 56 -2.482 -11.478 1.885 1.00 0.00 O ATOM 879 CB ILE A 56 -0.616 -9.723 0.089 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.007 -8.359 -0.265 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.494 -10.683 -1.112 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.528 -8.394 -0.418 1.00 0.00 C ATOM 0 H ILE A 56 -2.004 -9.239 2.542 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.583 -9.107 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.073 -10.133 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.434 -8.000 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.254 -7.639 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.555 -10.786 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.895 -11.659 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.056 -10.283 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.892 -7.397 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.980 -8.722 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.798 -9.088 -1.214 1.00 0.00 H new ATOM 894 N ASN A 57 -3.563 -11.431 -0.093 1.00 0.00 N ATOM 895 CA ASN A 57 -4.374 -12.644 0.049 1.00 0.00 C ATOM 896 C ASN A 57 -5.099 -12.701 1.406 1.00 0.00 C ATOM 897 O ASN A 57 -5.282 -13.772 1.984 1.00 0.00 O ATOM 898 CB ASN A 57 -3.527 -13.894 -0.263 1.00 0.00 C ATOM 899 CG ASN A 57 -2.917 -13.851 -1.663 1.00 0.00 C ATOM 900 OD1 ASN A 57 -3.592 -13.550 -2.645 1.00 0.00 O ATOM 901 ND2 ASN A 57 -1.622 -14.109 -1.783 1.00 0.00 N ATOM 0 H ASN A 57 -3.694 -10.986 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.175 -12.618 -0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.730 -13.982 0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.149 -14.784 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.175 -14.059 -2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.073 -14.358 -0.960 1.00 0.00 H new ATOM 908 N GLY A 58 -5.481 -11.530 1.933 1.00 0.00 N ATOM 909 CA GLY A 58 -6.200 -11.374 3.194 1.00 0.00 C ATOM 910 C GLY A 58 -5.291 -11.278 4.424 1.00 0.00 C ATOM 911 O GLY A 58 -5.790 -10.957 5.505 1.00 0.00 O ATOM 0 H GLY A 58 -5.289 -10.639 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.816 -10.477 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.877 -12.219 3.321 1.00 0.00 H new ATOM 915 N MET A 59 -3.985 -11.531 4.288 1.00 0.00 N ATOM 916 CA MET A 59 -3.014 -11.421 5.370 1.00 0.00 C ATOM 917 C MET A 59 -2.577 -9.963 5.493 1.00 0.00 C ATOM 918 O MET A 59 -1.969 -9.425 4.565 1.00 0.00 O ATOM 919 CB MET A 59 -1.777 -12.296 5.098 1.00 0.00 C ATOM 920 CG MET A 59 -2.095 -13.775 4.872 1.00 0.00 C ATOM 921 SD MET A 59 -0.626 -14.839 4.887 1.00 0.00 S ATOM 922 CE MET A 59 -1.410 -16.437 4.541 1.00 0.00 C ATOM 0 H MET A 59 -3.570 -11.823 3.403 1.00 0.00 H new ATOM 0 HA MET A 59 -3.481 -11.764 6.293 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.257 -11.909 4.221 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.091 -12.208 5.940 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.787 -14.112 5.644 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.606 -13.887 3.916 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.649 -17.217 4.513 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.134 -16.664 5.324 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.919 -16.392 3.578 1.00 0.00 H new ATOM 932 N ASP A 60 -2.881 -9.332 6.628 1.00 0.00 N ATOM 933 CA ASP A 60 -2.366 -8.016 7.016 1.00 0.00 C ATOM 934 C ASP A 60 -0.842 -7.973 6.859 1.00 0.00 C ATOM 935 O ASP A 60 -0.155 -8.835 7.414 1.00 0.00 O ATOM 936 CB ASP A 60 -2.754 -7.751 8.475 1.00 0.00 C ATOM 937 CG ASP A 60 -1.999 -6.548 9.063 1.00 0.00 C ATOM 938 OD1 ASP A 60 -2.377 -5.395 8.761 1.00 0.00 O ATOM 939 OD2 ASP A 60 -1.059 -6.766 9.859 1.00 0.00 O ATOM 0 H ASP A 60 -3.510 -9.733 7.323 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.795 -7.248 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.827 -7.571 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.544 -8.638 9.073 1.00 0.00 H new ATOM 944 N VAL A 61 -0.304 -7.012 6.098 1.00 0.00 N ATOM 945 CA VAL A 61 1.144 -6.916 5.910 1.00 0.00 C ATOM 946 C VAL A 61 1.775 -6.166 7.089 1.00 0.00 C ATOM 947 O VAL A 61 1.253 -5.155 7.567 1.00 0.00 O ATOM 948 CB VAL A 61 1.538 -6.312 4.541 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.051 -7.202 3.386 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.063 -4.872 4.306 1.00 0.00 C ATOM 0 H VAL A 61 -0.844 -6.299 5.609 1.00 0.00 H new ATOM 0 HA VAL A 61 1.546 -7.929 5.894 1.00 0.00 H new ATOM 0 HB VAL A 61 2.627 -6.274 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.341 -6.755 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.501 -8.191 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.034 -7.292 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.388 -4.538 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.025 -4.834 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.488 -4.220 5.068 1.00 0.00 H new ATOM 960 N ASN A 62 2.939 -6.643 7.524 1.00 0.00 N ATOM 961 CA ASN A 62 3.819 -5.986 8.478 1.00 0.00 C ATOM 962 C ASN A 62 4.612 -4.901 7.742 1.00 0.00 C ATOM 963 O ASN A 62 5.813 -5.052 7.500 1.00 0.00 O ATOM 964 CB ASN A 62 4.741 -7.024 9.141 1.00 0.00 C ATOM 965 CG ASN A 62 5.689 -6.385 10.159 1.00 0.00 C ATOM 966 OD1 ASN A 62 5.431 -5.313 10.701 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.812 -7.027 10.440 1.00 0.00 N ATOM 0 H ASN A 62 3.308 -7.539 7.205 1.00 0.00 H new ATOM 0 HA ASN A 62 3.242 -5.514 9.273 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.135 -7.782 9.637 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.324 -7.533 8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.471 -6.632 11.111 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.018 -7.917 9.985 1.00 0.00 H new ATOM 974 N GLY A 63 3.921 -3.850 7.293 1.00 0.00 N ATOM 975 CA GLY A 63 4.480 -2.649 6.678 1.00 0.00 C ATOM 976 C GLY A 63 5.030 -2.871 5.271 1.00 0.00 C ATOM 977 O GLY A 63 4.490 -2.343 4.297 1.00 0.00 O ATOM 0 H GLY A 63 2.903 -3.815 7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.708 -1.880 6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.279 -2.266 7.313 1.00 0.00 H new ATOM 981 N ARG A 64 6.095 -3.664 5.161 1.00 0.00 N ATOM 982 CA ARG A 64 6.715 -4.098 3.910 1.00 0.00 C ATOM 983 C ARG A 64 7.076 -5.582 3.941 1.00 0.00 C ATOM 984 O ARG A 64 7.721 -6.053 3.007 1.00 0.00 O ATOM 985 CB ARG A 64 7.930 -3.220 3.551 1.00 0.00 C ATOM 986 CG ARG A 64 9.008 -3.102 4.643 1.00 0.00 C ATOM 987 CD ARG A 64 10.427 -3.275 4.077 1.00 0.00 C ATOM 988 NE ARG A 64 11.447 -2.701 4.971 1.00 0.00 N ATOM 989 CZ ARG A 64 12.756 -2.604 4.696 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.264 -3.113 3.578 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.558 -1.971 5.550 1.00 0.00 N ATOM 0 H ARG A 64 6.572 -4.039 5.981 1.00 0.00 H new ATOM 0 HA ARG A 64 5.976 -3.969 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.393 -3.622 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.574 -2.219 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.928 -2.129 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.830 -3.855 5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.631 -4.335 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.489 -2.796 3.100 1.00 0.00 H new ATOM 0 HE ARG A 64 11.132 -2.348 5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.655 -3.588 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.262 -3.029 3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.175 -1.565 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.555 -1.892 5.350 1.00 0.00 H new ATOM 1005 N TYR A 65 6.647 -6.332 4.953 1.00 0.00 N ATOM 1006 CA TYR A 65 6.825 -7.778 5.014 1.00 0.00 C ATOM 1007 C TYR A 65 5.441 -8.416 5.100 1.00 0.00 C ATOM 1008 O TYR A 65 4.507 -7.778 5.585 1.00 0.00 O ATOM 1009 CB TYR A 65 7.727 -8.149 6.199 1.00 0.00 C ATOM 1010 CG TYR A 65 9.116 -7.537 6.118 1.00 0.00 C ATOM 1011 CD1 TYR A 65 10.156 -8.231 5.472 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.356 -6.250 6.639 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.423 -7.639 5.324 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.617 -5.645 6.484 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.660 -6.340 5.830 1.00 0.00 C ATOM 1016 OH TYR A 65 12.881 -5.751 5.691 1.00 0.00 O ATOM 0 H TYR A 65 6.160 -5.947 5.763 1.00 0.00 H new ATOM 0 HA TYR A 65 7.325 -8.154 4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.250 -7.826 7.124 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.819 -9.234 6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.980 -9.225 5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.569 -5.725 7.160 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.215 -8.176 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.788 -4.649 6.865 1.00 0.00 H new ATOM 0 HH TYR A 65 13.311 -6.078 4.874 1.00 0.00 H new ATOM 1026 N THR A 66 5.268 -9.645 4.620 1.00 0.00 N ATOM 1027 CA THR A 66 4.024 -10.371 4.816 1.00 0.00 C ATOM 1028 C THR A 66 3.851 -10.692 6.301 1.00 0.00 C ATOM 1029 O THR A 66 4.768 -10.532 7.114 1.00 0.00 O ATOM 1030 CB THR A 66 3.989 -11.654 3.966 1.00 0.00 C ATOM 1031 OG1 THR A 66 5.112 -12.477 4.223 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.948 -11.341 2.471 1.00 0.00 C ATOM 0 H THR A 66 5.976 -10.156 4.093 1.00 0.00 H new ATOM 0 HA THR A 66 3.194 -9.744 4.489 1.00 0.00 H new ATOM 0 HB THR A 66 3.078 -12.182 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.060 -13.284 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.924 -12.272 1.905 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.056 -10.756 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.835 -10.771 2.194 1.00 0.00 H new ATOM 1040 N ALA A 67 2.669 -11.199 6.641 1.00 0.00 N ATOM 1041 CA ALA A 67 2.412 -11.762 7.953 1.00 0.00 C ATOM 1042 C ALA A 67 3.382 -12.917 8.245 1.00 0.00 C ATOM 1043 O ALA A 67 3.861 -13.056 9.371 1.00 0.00 O ATOM 1044 CB ALA A 67 0.971 -12.255 7.966 1.00 0.00 C ATOM 0 H ALA A 67 1.867 -11.229 6.012 1.00 0.00 H new ATOM 0 HA ALA A 67 2.563 -11.009 8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.743 -12.686 8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.299 -11.419 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.839 -13.013 7.194 1.00 0.00 H new ATOM 1050 N ASP A 68 3.687 -13.723 7.219 1.00 0.00 N ATOM 1051 CA ASP A 68 4.638 -14.832 7.316 1.00 0.00 C ATOM 1052 C ASP A 68 6.079 -14.328 7.465 1.00 0.00 C ATOM 1053 O ASP A 68 6.845 -14.907 8.237 1.00 0.00 O ATOM 1054 CB ASP A 68 4.525 -15.749 6.096 1.00 0.00 C ATOM 1055 CG ASP A 68 5.463 -16.958 6.242 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.152 -17.875 7.038 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.498 -17.010 5.544 1.00 0.00 O ATOM 0 H ASP A 68 3.275 -13.620 6.291 1.00 0.00 H new ATOM 0 HA ASP A 68 4.386 -15.401 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.496 -16.091 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.776 -15.194 5.192 1.00 0.00 H new ATOM 1062 N GLY A 69 6.438 -13.238 6.773 1.00 0.00 N ATOM 1063 CA GLY A 69 7.696 -12.517 6.972 1.00 0.00 C ATOM 1064 C GLY A 69 8.533 -12.272 5.712 1.00 0.00 C ATOM 1065 O GLY A 69 9.629 -11.721 5.835 1.00 0.00 O ATOM 0 H GLY A 69 5.850 -12.828 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.472 -11.553 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.303 -13.074 7.685 1.00 0.00 H new ATOM 1069 N LYS A 70 8.086 -12.673 4.515 1.00 0.00 N ATOM 1070 CA LYS A 70 8.800 -12.366 3.269 1.00 0.00 C ATOM 1071 C LYS A 70 8.680 -10.872 3.028 1.00 0.00 C ATOM 1072 O LYS A 70 7.631 -10.303 3.319 1.00 0.00 O ATOM 1073 CB LYS A 70 8.179 -13.128 2.085 1.00 0.00 C ATOM 1074 CG LYS A 70 8.668 -14.577 1.939 1.00 0.00 C ATOM 1075 CD LYS A 70 8.565 -15.410 3.220 1.00 0.00 C ATOM 1076 CE LYS A 70 8.874 -16.885 2.946 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.808 -17.692 4.186 1.00 0.00 N ATOM 0 H LYS A 70 7.230 -13.212 4.383 1.00 0.00 H new ATOM 0 HA LYS A 70 9.844 -12.668 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.095 -13.133 2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.400 -12.588 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.090 -15.066 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.707 -14.566 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.259 -15.023 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.563 -15.317 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.165 -17.277 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.867 -16.974 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.955 -18.695 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.547 -17.376 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.875 -17.572 4.629 1.00 0.00 H new ATOM 1091 N GLU A 71 9.707 -10.226 2.480 1.00 0.00 N ATOM 1092 CA GLU A 71 9.552 -8.846 2.034 1.00 0.00 C ATOM 1093 C GLU A 71 8.532 -8.861 0.897 1.00 0.00 C ATOM 1094 O GLU A 71 8.637 -9.673 -0.022 1.00 0.00 O ATOM 1095 CB GLU A 71 10.892 -8.223 1.614 1.00 0.00 C ATOM 1096 CG GLU A 71 10.716 -6.710 1.395 1.00 0.00 C ATOM 1097 CD GLU A 71 12.032 -5.950 1.154 1.00 0.00 C ATOM 1098 OE1 GLU A 71 12.882 -6.404 0.356 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.195 -4.860 1.747 1.00 0.00 O ATOM 0 H GLU A 71 10.635 -10.625 2.337 1.00 0.00 H new ATOM 0 HA GLU A 71 9.196 -8.216 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.644 -8.404 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.251 -8.693 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.057 -6.552 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.218 -6.284 2.266 1.00 0.00 H new ATOM 1106 N VAL A 72 7.542 -7.975 0.956 1.00 0.00 N ATOM 1107 CA VAL A 72 6.434 -7.914 0.008 1.00 0.00 C ATOM 1108 C VAL A 72 6.953 -7.741 -1.423 1.00 0.00 C ATOM 1109 O VAL A 72 6.407 -8.350 -2.342 1.00 0.00 O ATOM 1110 CB VAL A 72 5.464 -6.791 0.441 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.459 -6.428 -0.656 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.692 -7.215 1.701 1.00 0.00 C ATOM 0 H VAL A 72 7.487 -7.262 1.683 1.00 0.00 H new ATOM 0 HA VAL A 72 5.880 -8.853 0.013 1.00 0.00 H new ATOM 0 HB VAL A 72 6.074 -5.911 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.802 -5.635 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.995 -6.085 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.864 -7.305 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.012 -6.416 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.121 -8.119 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.396 -7.411 2.510 1.00 0.00 H new ATOM 1122 N LEU A 73 8.021 -6.960 -1.615 1.00 0.00 N ATOM 1123 CA LEU A 73 8.603 -6.750 -2.937 1.00 0.00 C ATOM 1124 C LEU A 73 9.114 -8.073 -3.510 1.00 0.00 C ATOM 1125 O LEU A 73 8.909 -8.343 -4.692 1.00 0.00 O ATOM 1126 CB LEU A 73 9.735 -5.706 -2.881 1.00 0.00 C ATOM 1127 CG LEU A 73 9.299 -4.296 -2.429 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.512 -3.363 -2.383 1.00 0.00 C ATOM 1129 CD2 LEU A 73 8.228 -3.681 -3.340 1.00 0.00 C ATOM 0 H LEU A 73 8.500 -6.462 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 73 7.825 -6.365 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.508 -6.066 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.189 -5.630 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 73 8.862 -4.408 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.195 -2.370 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.246 -3.755 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.960 -3.299 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.962 -2.690 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.617 -3.598 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.343 -4.317 -3.342 1.00 0.00 H new ATOM 1141 N GLU A 74 9.734 -8.925 -2.687 1.00 0.00 N ATOM 1142 CA GLU A 74 10.210 -10.232 -3.128 1.00 0.00 C ATOM 1143 C GLU A 74 9.026 -11.185 -3.315 1.00 0.00 C ATOM 1144 O GLU A 74 8.980 -11.910 -4.309 1.00 0.00 O ATOM 1145 CB GLU A 74 11.214 -10.823 -2.124 1.00 0.00 C ATOM 1146 CG GLU A 74 12.499 -9.989 -2.020 1.00 0.00 C ATOM 1147 CD GLU A 74 13.577 -10.714 -1.193 1.00 0.00 C ATOM 1148 OE1 GLU A 74 13.492 -10.741 0.056 1.00 0.00 O ATOM 1149 OE2 GLU A 74 14.535 -11.261 -1.787 1.00 0.00 O ATOM 0 H GLU A 74 9.917 -8.726 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 74 10.722 -10.105 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.746 -10.888 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.468 -11.840 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.883 -9.784 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.273 -9.026 -1.561 1.00 0.00 H new ATOM 1156 N TYR A 75 8.054 -11.160 -2.392 1.00 0.00 N ATOM 1157 CA TYR A 75 6.891 -12.038 -2.432 1.00 0.00 C ATOM 1158 C TYR A 75 6.123 -11.832 -3.734 1.00 0.00 C ATOM 1159 O TYR A 75 5.850 -12.802 -4.438 1.00 0.00 O ATOM 1160 CB TYR A 75 5.973 -11.799 -1.221 1.00 0.00 C ATOM 1161 CG TYR A 75 4.880 -12.848 -1.090 1.00 0.00 C ATOM 1162 CD1 TYR A 75 5.156 -14.045 -0.403 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.610 -12.659 -1.678 1.00 0.00 C ATOM 1164 CE1 TYR A 75 4.179 -15.050 -0.301 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.631 -13.666 -1.594 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.914 -14.870 -0.904 1.00 0.00 C ATOM 1167 OH TYR A 75 1.985 -15.864 -0.815 1.00 0.00 O ATOM 0 H TYR A 75 8.059 -10.524 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 75 7.240 -13.070 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.574 -11.793 -0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.515 -10.814 -1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.126 -14.192 0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.389 -11.737 -2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.395 -15.960 0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.665 -13.521 -2.055 1.00 0.00 H new ATOM 0 HH TYR A 75 1.166 -15.589 -1.279 1.00 0.00 H new ATOM 1177 N LEU A 76 5.801 -10.579 -4.064 1.00 0.00 N ATOM 1178 CA LEU A 76 5.056 -10.223 -5.266 1.00 0.00 C ATOM 1179 C LEU A 76 5.955 -10.285 -6.502 1.00 0.00 C ATOM 1180 O LEU A 76 5.462 -10.575 -7.590 1.00 0.00 O ATOM 1181 CB LEU A 76 4.469 -8.807 -5.117 1.00 0.00 C ATOM 1182 CG LEU A 76 3.379 -8.670 -4.033 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.006 -7.194 -3.873 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.124 -9.481 -4.374 1.00 0.00 C ATOM 0 H LEU A 76 6.056 -9.774 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 76 4.245 -10.940 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.279 -8.115 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.050 -8.500 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 76 3.784 -9.064 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.236 -7.094 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.888 -6.626 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.628 -6.809 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.384 -9.355 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.709 -9.130 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.385 -10.536 -4.462 1.00 0.00 H new ATOM 1196 N GLY A 77 7.259 -10.021 -6.353 1.00 0.00 N ATOM 1197 CA GLY A 77 8.220 -10.093 -7.444 1.00 0.00 C ATOM 1198 C GLY A 77 8.348 -11.511 -8.002 1.00 0.00 C ATOM 1199 O GLY A 77 8.490 -11.674 -9.213 1.00 0.00 O ATOM 0 H GLY A 77 7.673 -9.750 -5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.914 -9.416 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.194 -9.752 -7.092 1.00 0.00 H new ATOM 1203 N ASN A 78 8.274 -12.533 -7.140 1.00 0.00 N ATOM 1204 CA ASN A 78 8.226 -13.936 -7.551 1.00 0.00 C ATOM 1205 C ASN A 78 6.947 -14.176 -8.370 1.00 0.00 C ATOM 1206 O ASN A 78 5.855 -14.047 -7.807 1.00 0.00 O ATOM 1207 CB ASN A 78 8.256 -14.839 -6.304 1.00 0.00 C ATOM 1208 CG ASN A 78 8.157 -16.332 -6.620 1.00 0.00 C ATOM 1209 OD1 ASN A 78 7.994 -16.753 -7.762 1.00 0.00 O ATOM 1210 ND2 ASN A 78 8.251 -17.175 -5.607 1.00 0.00 N ATOM 0 H ASN A 78 8.246 -12.405 -6.129 1.00 0.00 H new ATOM 0 HA ASN A 78 9.090 -14.176 -8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.179 -14.654 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.433 -14.561 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.188 -18.180 -5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.386 -16.821 -4.660 1.00 0.00 H new ATOM 1217 N PRO A 79 7.023 -14.554 -9.662 1.00 0.00 N ATOM 1218 CA PRO A 79 5.836 -14.703 -10.490 1.00 0.00 C ATOM 1219 C PRO A 79 4.929 -15.865 -10.081 1.00 0.00 C ATOM 1220 O PRO A 79 3.773 -15.894 -10.507 1.00 0.00 O ATOM 1221 CB PRO A 79 6.325 -14.771 -11.932 1.00 0.00 C ATOM 1222 CG PRO A 79 7.728 -15.359 -11.790 1.00 0.00 C ATOM 1223 CD PRO A 79 8.219 -14.787 -10.459 1.00 0.00 C ATOM 0 HA PRO A 79 5.173 -13.848 -10.356 1.00 0.00 H new ATOM 0 HB2 PRO A 79 5.683 -15.402 -12.547 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.345 -13.786 -12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.707 -16.449 -11.776 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.373 -15.063 -12.617 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.893 -15.483 -9.959 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.773 -13.861 -10.612 1.00 0.00 H new ATOM 1231 N ALA A 80 5.377 -16.772 -9.201 1.00 0.00 N ATOM 1232 CA ALA A 80 4.494 -17.767 -8.596 1.00 0.00 C ATOM 1233 C ALA A 80 3.370 -17.089 -7.785 1.00 0.00 C ATOM 1234 O ALA A 80 2.353 -17.723 -7.504 1.00 0.00 O ATOM 1235 CB ALA A 80 5.304 -18.713 -7.703 1.00 0.00 C ATOM 0 H ALA A 80 6.348 -16.833 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 80 4.029 -18.345 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.638 -19.451 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.059 -19.221 -8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.792 -18.140 -6.914 1.00 0.00 H new ATOM 1241 N ASN A 81 3.536 -15.804 -7.439 1.00 0.00 N ATOM 1242 CA ASN A 81 2.577 -14.976 -6.714 1.00 0.00 C ATOM 1243 C ASN A 81 2.212 -13.737 -7.548 1.00 0.00 C ATOM 1244 O ASN A 81 1.832 -12.716 -6.977 1.00 0.00 O ATOM 1245 CB ASN A 81 3.157 -14.529 -5.360 1.00 0.00 C ATOM 1246 CG ASN A 81 3.699 -15.645 -4.479 1.00 0.00 C ATOM 1247 OD1 ASN A 81 3.067 -16.681 -4.286 1.00 0.00 O ATOM 1248 ND2 ASN A 81 4.890 -15.456 -3.937 1.00 0.00 N ATOM 0 H ASN A 81 4.388 -15.294 -7.672 1.00 0.00 H new ATOM 0 HA ASN A 81 1.681 -15.571 -6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.959 -13.815 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.380 -13.999 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.301 -16.178 -3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.397 -14.588 -4.110 1.00 0.00 H new ATOM 1255 N TYR A 82 2.358 -13.771 -8.882 1.00 0.00 N ATOM 1256 CA TYR A 82 1.820 -12.700 -9.719 1.00 0.00 C ATOM 1257 C TYR A 82 0.291 -12.617 -9.571 1.00 0.00 C ATOM 1258 O TYR A 82 -0.176 -11.550 -9.182 1.00 0.00 O ATOM 1259 CB TYR A 82 2.255 -12.820 -11.194 1.00 0.00 C ATOM 1260 CG TYR A 82 3.533 -12.113 -11.635 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.450 -11.546 -10.722 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.794 -12.016 -13.017 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.611 -10.900 -11.182 1.00 0.00 C ATOM 1264 CE2 TYR A 82 4.948 -11.362 -13.486 1.00 0.00 C ATOM 1265 CZ TYR A 82 5.865 -10.800 -12.569 1.00 0.00 C ATOM 1266 OH TYR A 82 6.979 -10.169 -13.033 1.00 0.00 O ATOM 0 H TYR A 82 2.835 -14.515 -9.391 1.00 0.00 H new ATOM 0 HA TYR A 82 2.246 -11.762 -9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.367 -13.880 -11.422 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.439 -12.446 -11.812 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.257 -11.609 -9.661 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.101 -12.448 -13.723 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.310 -10.479 -10.474 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.133 -11.289 -14.548 1.00 0.00 H new ATOM 0 HH TYR A 82 6.988 -10.199 -14.013 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.500 -13.678 -9.840 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.944 -13.637 -9.629 1.00 0.00 C ATOM 1278 C PRO A 83 -2.251 -13.730 -8.127 1.00 0.00 C ATOM 1279 O PRO A 83 -2.111 -14.802 -7.533 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.510 -14.814 -10.431 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.364 -15.825 -10.455 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.116 -14.943 -10.457 1.00 0.00 C ATOM 0 HA PRO A 83 -2.400 -12.706 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.400 -15.229 -9.958 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.797 -14.511 -11.438 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.390 -16.483 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.408 -16.462 -11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.694 -15.416 -9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.245 -14.785 -11.473 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.673 -12.626 -7.507 1.00 0.00 N ATOM 1291 CA VAL A 84 -3.001 -12.558 -6.076 1.00 0.00 C ATOM 1292 C VAL A 84 -4.123 -11.541 -5.848 1.00 0.00 C ATOM 1293 O VAL A 84 -4.481 -10.792 -6.758 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.760 -12.188 -5.219 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.780 -13.359 -5.059 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.015 -10.948 -5.729 1.00 0.00 C ATOM 0 H VAL A 84 -2.800 -11.737 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.335 -13.546 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.169 -11.946 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.068 -13.043 -4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.286 -14.193 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.426 -13.674 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.160 -10.747 -5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.668 -11.125 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.687 -10.090 -5.719 1.00 0.00 H new ATOM 1306 N SER A 85 -4.659 -11.491 -4.631 1.00 0.00 N ATOM 1307 CA SER A 85 -5.570 -10.441 -4.197 1.00 0.00 C ATOM 1308 C SER A 85 -4.786 -9.531 -3.255 1.00 0.00 C ATOM 1309 O SER A 85 -3.951 -10.020 -2.492 1.00 0.00 O ATOM 1310 CB SER A 85 -6.784 -11.059 -3.501 1.00 0.00 C ATOM 1311 OG SER A 85 -7.445 -11.971 -4.367 1.00 0.00 O ATOM 0 H SER A 85 -4.469 -12.188 -3.911 1.00 0.00 H new ATOM 0 HA SER A 85 -5.947 -9.864 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.467 -11.574 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.475 -10.273 -3.196 1.00 0.00 H new ATOM 0 HG SER A 85 -8.218 -12.358 -3.906 1.00 0.00 H new ATOM 1317 N ILE A 86 -5.024 -8.222 -3.295 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.295 -7.246 -2.485 1.00 0.00 C ATOM 1319 C ILE A 86 -5.321 -6.227 -1.989 1.00 0.00 C ATOM 1320 O ILE A 86 -6.305 -5.933 -2.678 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.125 -6.600 -3.286 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.225 -7.669 -3.958 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.273 -5.675 -2.395 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.041 -7.119 -4.761 1.00 0.00 C ATOM 0 H ILE A 86 -5.735 -7.804 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.814 -7.722 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.581 -5.999 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.840 -8.334 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.842 -8.275 -4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.466 -5.242 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.899 -4.877 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.850 -6.251 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.476 -7.947 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.411 -6.479 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.393 -6.539 -4.103 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.080 -5.683 -0.797 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.842 -4.594 -0.202 1.00 0.00 C ATOM 1338 C ARG A 87 -4.858 -3.468 0.034 1.00 0.00 C ATOM 1339 O ARG A 87 -3.766 -3.724 0.555 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.475 -5.005 1.139 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.246 -6.323 1.058 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.088 -6.538 2.312 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.873 -7.772 2.209 1.00 0.00 N ATOM 1344 CZ ARG A 87 -9.844 -8.161 3.034 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -10.147 -7.457 4.116 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -10.502 -9.270 2.737 1.00 0.00 N ATOM 0 H ARG A 87 -4.319 -6.003 -0.199 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.658 -4.304 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.692 -5.095 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.149 -4.216 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.890 -6.319 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.547 -7.151 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.439 -6.587 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.755 -5.689 2.457 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.654 -8.393 1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.633 -6.602 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.894 -7.771 4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.260 -9.798 1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.251 -9.597 3.347 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.267 -2.249 -0.294 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.475 -1.036 -0.162 1.00 0.00 C ATOM 1362 C PHE A 88 -5.230 -0.080 0.752 1.00 0.00 C ATOM 1363 O PHE A 88 -6.438 -0.230 0.952 1.00 0.00 O ATOM 1364 CB PHE A 88 -4.251 -0.396 -1.543 1.00 0.00 C ATOM 1365 CG PHE A 88 -3.275 -1.135 -2.437 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -3.717 -2.156 -3.303 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -1.915 -0.777 -2.424 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -2.802 -2.805 -4.152 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -1.004 -1.429 -3.270 1.00 0.00 C ATOM 1370 CZ PHE A 88 -1.445 -2.442 -4.138 1.00 0.00 C ATOM 0 H PHE A 88 -6.197 -2.073 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.497 -1.265 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.210 -0.327 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.892 0.623 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.759 -2.440 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.570 0.002 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.144 -3.585 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.039 -1.151 -3.254 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.744 -2.939 -4.792 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.549 0.923 1.292 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.139 1.864 2.223 1.00 0.00 C ATOM 1382 C GLY A 89 -4.172 2.984 2.551 1.00 0.00 C ATOM 1383 O GLY A 89 -3.091 3.087 1.966 1.00 0.00 O ATOM 0 H GLY A 89 -3.565 1.104 1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.051 2.280 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.424 1.345 3.138 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.581 3.855 3.470 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.716 4.924 3.949 1.00 0.00 C ATOM 1389 C ARG A 90 -2.511 4.291 4.668 1.00 0.00 C ATOM 1390 O ARG A 90 -2.712 3.278 5.347 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.479 5.844 4.912 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.822 6.400 4.414 1.00 0.00 C ATOM 1393 CD ARG A 90 -5.757 7.197 3.110 1.00 0.00 C ATOM 1394 NE ARG A 90 -7.090 7.759 2.809 1.00 0.00 N ATOM 1395 CZ ARG A 90 -8.106 7.088 2.249 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -7.878 5.948 1.612 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -9.348 7.550 2.337 1.00 0.00 N ATOM 0 H ARG A 90 -5.507 3.839 3.897 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.376 5.525 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.659 5.295 5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.833 6.686 5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.513 5.568 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.242 7.039 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.024 7.999 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.429 6.553 2.294 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.250 8.738 3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.929 5.581 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.652 5.438 1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.534 8.421 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.116 7.033 1.908 1.00 0.00 H new