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 Set 1.1: A 78 ASN : amide:sc= 0.275 K(o=2.8,f=1.3) USER MOD Set 1.2: A 81 ASN : amide:sc= 2.55 K(o=2.8,f=-0.9) USER MOD Set 2.1: A 57 ASN : amide:sc= 0.879 K(o=1.2,f=-5.8!) USER MOD Set 2.2: A 75 TYR OH : rot 30:sc= 0.28 USER MOD Set 3.1: A 21 THR OG1 : rot -96:sc= 1.12 USER MOD Set 3.2: A 85 SER OG : rot 180:sc= 0.977 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 8:sc= 0.232 USER MOD Single : A 24 TYR OH : rot 130:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00622) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0186 K(o=-0.019,f=-0.54) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.499 USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= 1.31 (180deg=1.01) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 290 N LYS A 20 -8.281 -4.892 -4.505 1.00 0.00 N ATOM 291 CA LYS A 20 -8.140 -5.251 -5.924 1.00 0.00 C ATOM 292 C LYS A 20 -7.495 -6.635 -6.039 1.00 0.00 C ATOM 293 O LYS A 20 -6.979 -7.160 -5.051 1.00 0.00 O ATOM 294 CB LYS A 20 -7.247 -4.218 -6.649 1.00 0.00 C ATOM 295 CG LYS A 20 -7.831 -2.807 -6.835 1.00 0.00 C ATOM 296 CD LYS A 20 -9.061 -2.778 -7.757 1.00 0.00 C ATOM 297 CE LYS A 20 -9.578 -1.340 -7.902 1.00 0.00 C ATOM 298 NZ LYS A 20 -10.768 -1.258 -8.788 1.00 0.00 N ATOM 0 HA LYS A 20 -9.128 -5.260 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.312 -4.129 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.998 -4.615 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.106 -2.403 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.061 -2.153 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.801 -3.180 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.846 -3.415 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.832 -0.946 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.785 -0.709 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.082 -0.269 -8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.520 -1.609 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.535 -1.839 -8.393 1.00 0.00 H new ATOM 312 N THR A 21 -7.461 -7.197 -7.247 1.00 0.00 N ATOM 313 CA THR A 21 -6.732 -8.418 -7.577 1.00 0.00 C ATOM 314 C THR A 21 -6.036 -8.194 -8.922 1.00 0.00 C ATOM 315 O THR A 21 -6.583 -7.523 -9.803 1.00 0.00 O ATOM 316 CB THR A 21 -7.697 -9.621 -7.568 1.00 0.00 C ATOM 317 OG1 THR A 21 -8.243 -9.793 -6.272 1.00 0.00 O ATOM 318 CG2 THR A 21 -7.043 -10.955 -7.944 1.00 0.00 C ATOM 0 H THR A 21 -7.956 -6.802 -8.047 1.00 0.00 H new ATOM 0 HA THR A 21 -5.965 -8.650 -6.838 1.00 0.00 H new ATOM 0 HB THR A 21 -8.451 -9.382 -8.318 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.726 -10.469 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.790 -11.748 -7.913 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.628 -10.886 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.245 -11.181 -7.237 1.00 0.00 H new ATOM 326 N PHE A 22 -4.820 -8.727 -9.064 1.00 0.00 N ATOM 327 CA PHE A 22 -3.917 -8.487 -10.182 1.00 0.00 C ATOM 328 C PHE A 22 -3.155 -9.766 -10.541 1.00 0.00 C ATOM 329 O PHE A 22 -3.248 -10.800 -9.871 1.00 0.00 O ATOM 330 CB PHE A 22 -2.894 -7.395 -9.809 1.00 0.00 C ATOM 331 CG PHE A 22 -3.449 -6.089 -9.274 1.00 0.00 C ATOM 332 CD1 PHE A 22 -4.083 -5.170 -10.133 1.00 0.00 C ATOM 333 CD2 PHE A 22 -3.278 -5.770 -7.916 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.523 -3.930 -9.636 1.00 0.00 C ATOM 335 CE2 PHE A 22 -3.718 -4.532 -7.420 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.331 -3.605 -8.281 1.00 0.00 C ATOM 0 H PHE A 22 -4.425 -9.364 -8.372 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.513 -8.165 -11.036 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.216 -7.807 -9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.297 -7.173 -10.694 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.231 -5.418 -11.174 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.807 -6.479 -7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.009 -3.226 -10.296 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.585 -4.292 -6.375 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.654 -2.646 -7.903 1.00 0.00 H new ATOM 346 N SER A 23 -2.375 -9.666 -11.614 1.00 0.00 N ATOM 347 CA SER A 23 -1.378 -10.611 -12.092 1.00 0.00 C ATOM 348 C SER A 23 -0.314 -9.778 -12.824 1.00 0.00 C ATOM 349 O SER A 23 -0.494 -8.566 -12.981 1.00 0.00 O ATOM 350 CB SER A 23 -2.041 -11.664 -12.986 1.00 0.00 C ATOM 351 OG SER A 23 -2.948 -12.440 -12.224 1.00 0.00 O ATOM 0 H SER A 23 -2.432 -8.849 -12.222 1.00 0.00 H new ATOM 0 HA SER A 23 -0.907 -11.169 -11.283 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.566 -11.177 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.281 -12.308 -13.430 1.00 0.00 H new ATOM 0 HG SER A 23 -3.039 -12.052 -11.329 1.00 0.00 H new ATOM 357 N TYR A 24 0.788 -10.391 -13.265 1.00 0.00 N ATOM 358 CA TYR A 24 1.955 -9.675 -13.780 1.00 0.00 C ATOM 359 C TYR A 24 2.417 -10.309 -15.104 1.00 0.00 C ATOM 360 O TYR A 24 2.094 -11.477 -15.343 1.00 0.00 O ATOM 361 CB TYR A 24 3.061 -9.705 -12.710 1.00 0.00 C ATOM 362 CG TYR A 24 2.691 -9.017 -11.405 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.522 -7.618 -11.370 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.515 -9.770 -10.227 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.174 -6.973 -10.170 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.174 -9.131 -9.021 1.00 0.00 C ATOM 367 CZ TYR A 24 1.998 -7.730 -8.986 1.00 0.00 C ATOM 368 OH TYR A 24 1.666 -7.121 -7.813 1.00 0.00 O ATOM 0 H TYR A 24 0.895 -11.405 -13.274 1.00 0.00 H new ATOM 0 HA TYR A 24 1.705 -8.635 -13.991 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.318 -10.743 -12.499 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.955 -9.231 -13.116 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.661 -7.038 -12.270 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.642 -10.842 -10.250 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.041 -5.901 -10.151 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.047 -9.713 -8.120 1.00 0.00 H new ATOM 0 HH TYR A 24 0.900 -7.581 -7.411 1.00 0.00 H new ATOM 378 N PRO A 25 3.184 -9.602 -15.959 1.00 0.00 N ATOM 379 CA PRO A 25 3.547 -8.188 -15.848 1.00 0.00 C ATOM 380 C PRO A 25 2.321 -7.278 -16.011 1.00 0.00 C ATOM 381 O PRO A 25 1.310 -7.674 -16.598 1.00 0.00 O ATOM 382 CB PRO A 25 4.589 -7.956 -16.948 1.00 0.00 C ATOM 383 CG PRO A 25 4.205 -8.969 -18.024 1.00 0.00 C ATOM 384 CD PRO A 25 3.699 -10.156 -17.205 1.00 0.00 C ATOM 0 HA PRO A 25 3.948 -7.945 -14.864 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.552 -6.935 -17.327 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.602 -8.124 -16.583 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.435 -8.579 -18.690 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.057 -9.241 -18.646 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.919 -10.695 -17.743 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.503 -10.866 -17.012 1.00 0.00 H new ATOM 392 N LEU A 26 2.402 -6.064 -15.459 1.00 0.00 N ATOM 393 CA LEU A 26 1.314 -5.091 -15.404 1.00 0.00 C ATOM 394 C LEU A 26 1.925 -3.696 -15.269 1.00 0.00 C ATOM 395 O LEU A 26 3.028 -3.554 -14.736 1.00 0.00 O ATOM 396 CB LEU A 26 0.420 -5.418 -14.189 1.00 0.00 C ATOM 397 CG LEU A 26 -0.809 -4.509 -13.982 1.00 0.00 C ATOM 398 CD1 LEU A 26 -1.769 -4.540 -15.178 1.00 0.00 C ATOM 399 CD2 LEU A 26 -1.569 -4.956 -12.730 1.00 0.00 C ATOM 0 H LEU A 26 3.259 -5.722 -15.023 1.00 0.00 H new ATOM 0 HA LEU A 26 0.705 -5.128 -16.307 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.073 -6.447 -14.287 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.034 -5.373 -13.290 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.441 -3.489 -13.873 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.617 -3.884 -14.981 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.247 -4.200 -16.073 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.127 -5.558 -15.331 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.438 -4.314 -12.583 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.897 -5.988 -12.853 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.914 -4.884 -11.862 1.00 0.00 H new ATOM 411 N ASP A 27 1.204 -2.668 -15.715 1.00 0.00 N ATOM 412 CA ASP A 27 1.568 -1.256 -15.570 1.00 0.00 C ATOM 413 C ASP A 27 1.276 -0.761 -14.141 1.00 0.00 C ATOM 414 O ASP A 27 0.489 0.161 -13.920 1.00 0.00 O ATOM 415 CB ASP A 27 0.854 -0.425 -16.647 1.00 0.00 C ATOM 416 CG ASP A 27 1.285 1.053 -16.625 1.00 0.00 C ATOM 417 OD1 ASP A 27 2.493 1.335 -16.461 1.00 0.00 O ATOM 418 OD2 ASP A 27 0.427 1.935 -16.852 1.00 0.00 O ATOM 0 H ASP A 27 0.319 -2.798 -16.205 1.00 0.00 H new ATOM 0 HA ASP A 27 2.641 -1.136 -15.722 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.065 -0.848 -17.629 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.224 -0.489 -16.497 1.00 0.00 H new ATOM 423 N LEU A 28 1.862 -1.440 -13.154 1.00 0.00 N ATOM 424 CA LEU A 28 1.694 -1.223 -11.719 1.00 0.00 C ATOM 425 C LEU A 28 3.063 -1.463 -11.084 1.00 0.00 C ATOM 426 O LEU A 28 3.735 -2.437 -11.434 1.00 0.00 O ATOM 427 CB LEU A 28 0.651 -2.225 -11.179 1.00 0.00 C ATOM 428 CG LEU A 28 0.458 -2.218 -9.648 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.122 -0.895 -9.136 1.00 0.00 C ATOM 430 CD2 LEU A 28 -0.481 -3.359 -9.240 1.00 0.00 C ATOM 0 H LEU A 28 2.508 -2.205 -13.350 1.00 0.00 H new ATOM 0 HA LEU A 28 1.341 -0.217 -11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.309 -2.014 -11.650 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.943 -3.229 -11.487 1.00 0.00 H new ATOM 0 HG LEU A 28 1.444 -2.348 -9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.238 -0.943 -8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.553 -0.078 -9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.094 -0.721 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.615 -3.351 -8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.447 -3.226 -9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.049 -4.312 -9.545 1.00 0.00 H new ATOM 442 N LEU A 29 3.479 -0.597 -10.159 1.00 0.00 N ATOM 443 CA LEU A 29 4.771 -0.676 -9.484 1.00 0.00 C ATOM 444 C LEU A 29 4.585 -0.178 -8.057 1.00 0.00 C ATOM 445 O LEU A 29 3.840 0.776 -7.837 1.00 0.00 O ATOM 446 CB LEU A 29 5.792 0.195 -10.242 1.00 0.00 C ATOM 447 CG LEU A 29 7.226 0.156 -9.672 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.856 -1.239 -9.769 1.00 0.00 C ATOM 449 CD2 LEU A 29 8.102 1.160 -10.429 1.00 0.00 C ATOM 0 H LEU A 29 2.914 0.195 -9.853 1.00 0.00 H new ATOM 0 HA LEU A 29 5.144 -1.700 -9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.821 -0.127 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.442 1.227 -10.237 1.00 0.00 H new ATOM 0 HG LEU A 29 7.165 0.417 -8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.864 -1.213 -9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.251 -1.951 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.901 -1.546 -10.814 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.115 1.134 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.124 0.899 -11.487 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.691 2.163 -10.311 1.00 0.00 H new ATOM 461 N LEU A 30 5.285 -0.785 -7.100 1.00 0.00 N ATOM 462 CA LEU A 30 5.234 -0.488 -5.668 1.00 0.00 C ATOM 463 C LEU A 30 6.683 -0.290 -5.188 1.00 0.00 C ATOM 464 O LEU A 30 7.597 -0.856 -5.796 1.00 0.00 O ATOM 465 CB LEU A 30 4.575 -1.669 -4.918 1.00 0.00 C ATOM 466 CG LEU A 30 3.049 -1.599 -4.685 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.218 -1.567 -5.974 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.592 -2.820 -3.877 1.00 0.00 C ATOM 0 H LEU A 30 5.939 -1.538 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 30 4.645 0.409 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.790 -2.582 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.060 -1.764 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 30 2.880 -0.662 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.158 -1.518 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.492 -0.691 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.412 -2.469 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.515 -2.767 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.832 -3.730 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.104 -2.832 -2.915 1.00 0.00 H new ATOM 480 N LYS A 31 6.913 0.473 -4.109 1.00 0.00 N ATOM 481 CA LYS A 31 8.257 0.676 -3.541 1.00 0.00 C ATOM 482 C LYS A 31 8.223 0.739 -2.015 1.00 0.00 C ATOM 483 O LYS A 31 7.214 1.145 -1.442 1.00 0.00 O ATOM 484 CB LYS A 31 8.952 1.914 -4.161 1.00 0.00 C ATOM 485 CG LYS A 31 8.741 3.287 -3.486 1.00 0.00 C ATOM 486 CD LYS A 31 7.303 3.832 -3.514 1.00 0.00 C ATOM 487 CE LYS A 31 7.165 5.174 -2.774 1.00 0.00 C ATOM 488 NZ LYS A 31 7.927 6.282 -3.412 1.00 0.00 N ATOM 0 H LYS A 31 6.176 0.966 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 31 8.859 -0.194 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.024 1.716 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.620 1.998 -5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.061 3.213 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.394 4.013 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.986 3.958 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.632 3.101 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.111 5.448 -2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.508 5.051 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.765 7.164 -2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.942 6.055 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.608 6.402 -4.394 1.00 0.00 H new ATOM 502 N LEU A 32 9.331 0.362 -1.370 1.00 0.00 N ATOM 503 CA LEU A 32 9.545 0.490 0.071 1.00 0.00 C ATOM 504 C LEU A 32 9.743 1.969 0.404 1.00 0.00 C ATOM 505 O LEU A 32 10.586 2.628 -0.209 1.00 0.00 O ATOM 506 CB LEU A 32 10.782 -0.346 0.466 1.00 0.00 C ATOM 507 CG LEU A 32 11.332 -0.149 1.898 1.00 0.00 C ATOM 508 CD1 LEU A 32 10.300 -0.445 2.992 1.00 0.00 C ATOM 509 CD2 LEU A 32 12.537 -1.075 2.095 1.00 0.00 C ATOM 0 H LEU A 32 10.127 -0.053 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 32 8.687 0.119 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.533 -1.400 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.583 -0.121 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 32 11.607 0.901 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.752 -0.287 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.445 0.221 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.968 -1.480 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.935 -0.946 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.226 -2.111 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.309 -0.828 1.366 1.00 0.00 H new ATOM 521 N HIS A 33 9.001 2.476 1.387 1.00 0.00 N ATOM 522 CA HIS A 33 9.151 3.813 1.945 1.00 0.00 C ATOM 523 C HIS A 33 8.621 3.791 3.380 1.00 0.00 C ATOM 524 O HIS A 33 7.532 3.273 3.622 1.00 0.00 O ATOM 525 CB HIS A 33 8.362 4.817 1.090 1.00 0.00 C ATOM 526 CG HIS A 33 8.429 6.233 1.607 1.00 0.00 C ATOM 527 ND1 HIS A 33 7.566 6.814 2.511 1.00 0.00 N ATOM 528 CD2 HIS A 33 9.369 7.175 1.283 1.00 0.00 C ATOM 529 CE1 HIS A 33 7.978 8.076 2.725 1.00 0.00 C ATOM 530 NE2 HIS A 33 9.078 8.346 1.996 1.00 0.00 N ATOM 0 H HIS A 33 8.252 1.945 1.831 1.00 0.00 H new ATOM 0 HA HIS A 33 10.198 4.116 1.947 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.745 4.793 0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.319 4.504 1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.192 7.039 0.597 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.494 8.776 3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.595 9.225 1.968 1.00 0.00 H new ATOM 538 N ASP A 34 9.366 4.383 4.321 1.00 0.00 N ATOM 539 CA ASP A 34 8.999 4.511 5.739 1.00 0.00 C ATOM 540 C ASP A 34 8.524 3.180 6.349 1.00 0.00 C ATOM 541 O ASP A 34 7.482 3.100 7.003 1.00 0.00 O ATOM 542 CB ASP A 34 8.013 5.675 5.931 1.00 0.00 C ATOM 543 CG ASP A 34 7.719 5.945 7.415 1.00 0.00 C ATOM 544 OD1 ASP A 34 8.671 6.131 8.207 1.00 0.00 O ATOM 545 OD2 ASP A 34 6.525 6.029 7.782 1.00 0.00 O ATOM 0 H ASP A 34 10.272 4.801 4.110 1.00 0.00 H new ATOM 0 HA ASP A 34 9.896 4.760 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.422 6.576 5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.081 5.449 5.412 1.00 0.00 H new ATOM 550 N GLU A 35 9.288 2.112 6.078 1.00 0.00 N ATOM 551 CA GLU A 35 9.031 0.726 6.497 1.00 0.00 C ATOM 552 C GLU A 35 7.656 0.176 6.069 1.00 0.00 C ATOM 553 O GLU A 35 7.217 -0.866 6.558 1.00 0.00 O ATOM 554 CB GLU A 35 9.334 0.550 8.002 1.00 0.00 C ATOM 555 CG GLU A 35 10.838 0.618 8.329 1.00 0.00 C ATOM 556 CD GLU A 35 11.669 -0.505 7.674 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.150 -1.614 7.430 1.00 0.00 O ATOM 558 OE2 GLU A 35 12.868 -0.300 7.384 1.00 0.00 O ATOM 0 H GLU A 35 10.146 2.196 5.533 1.00 0.00 H new ATOM 0 HA GLU A 35 9.728 0.095 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.811 1.323 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.939 -0.409 8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.228 1.583 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.968 0.570 9.410 1.00 0.00 H new ATOM 565 N ARG A 36 6.984 0.830 5.119 1.00 0.00 N ATOM 566 CA ARG A 36 5.785 0.343 4.447 1.00 0.00 C ATOM 567 C ARG A 36 6.127 0.173 2.972 1.00 0.00 C ATOM 568 O ARG A 36 7.213 0.545 2.530 1.00 0.00 O ATOM 569 CB ARG A 36 4.606 1.319 4.653 1.00 0.00 C ATOM 570 CG ARG A 36 3.767 1.016 5.904 1.00 0.00 C ATOM 571 CD ARG A 36 4.415 1.406 7.243 1.00 0.00 C ATOM 572 NE ARG A 36 4.612 2.861 7.378 1.00 0.00 N ATOM 573 CZ ARG A 36 3.649 3.770 7.584 1.00 0.00 C ATOM 574 NH1 ARG A 36 2.375 3.396 7.702 1.00 0.00 N ATOM 575 NH2 ARG A 36 3.956 5.058 7.670 1.00 0.00 N ATOM 0 H ARG A 36 7.275 1.749 4.786 1.00 0.00 H new ATOM 0 HA ARG A 36 5.468 -0.612 4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.995 2.335 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.960 1.285 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.813 1.537 5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.547 -0.051 5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.789 1.051 8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.378 0.903 7.336 1.00 0.00 H new ATOM 0 HE ARG A 36 5.569 3.207 7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.125 2.409 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.650 4.096 7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.927 5.358 7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.221 5.748 7.827 1.00 0.00 H new ATOM 589 N VAL A 37 5.201 -0.369 2.191 1.00 0.00 N ATOM 590 CA VAL A 37 5.314 -0.387 0.744 1.00 0.00 C ATOM 591 C VAL A 37 4.144 0.449 0.243 1.00 0.00 C ATOM 592 O VAL A 37 3.019 0.294 0.730 1.00 0.00 O ATOM 593 CB VAL A 37 5.362 -1.837 0.226 1.00 0.00 C ATOM 594 CG1 VAL A 37 5.318 -1.897 -1.302 1.00 0.00 C ATOM 595 CG2 VAL A 37 6.644 -2.542 0.687 1.00 0.00 C ATOM 0 H VAL A 37 4.351 -0.808 2.546 1.00 0.00 H new ATOM 0 HA VAL A 37 6.241 0.045 0.367 1.00 0.00 H new ATOM 0 HB VAL A 37 4.485 -2.337 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.354 -2.937 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.396 -1.437 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.173 -1.359 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.654 -3.564 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.512 -2.005 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.679 -2.559 1.776 1.00 0.00 H new ATOM 605 N LEU A 38 4.414 1.350 -0.703 1.00 0.00 N ATOM 606 CA LEU A 38 3.434 2.270 -1.269 1.00 0.00 C ATOM 607 C LEU A 38 3.360 2.026 -2.771 1.00 0.00 C ATOM 608 O LEU A 38 4.351 1.613 -3.377 1.00 0.00 O ATOM 609 CB LEU A 38 3.819 3.745 -1.026 1.00 0.00 C ATOM 610 CG LEU A 38 4.136 4.173 0.418 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.451 5.673 0.449 1.00 0.00 C ATOM 612 CD2 LEU A 38 3.005 3.884 1.405 1.00 0.00 C ATOM 0 H LEU A 38 5.345 1.461 -1.105 1.00 0.00 H new ATOM 0 HA LEU A 38 2.474 2.089 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.690 3.970 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.002 4.369 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 38 4.994 3.580 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.676 5.977 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.312 5.877 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.590 6.233 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.299 4.212 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.107 4.420 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.801 2.813 1.421 1.00 0.00 H new ATOM 624 N VAL A 39 2.215 2.326 -3.383 1.00 0.00 N ATOM 625 CA VAL A 39 2.071 2.347 -4.835 1.00 0.00 C ATOM 626 C VAL A 39 3.005 3.437 -5.379 1.00 0.00 C ATOM 627 O VAL A 39 2.888 4.601 -4.988 1.00 0.00 O ATOM 628 CB VAL A 39 0.593 2.559 -5.228 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.424 2.568 -6.755 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.313 1.459 -4.655 1.00 0.00 C ATOM 0 H VAL A 39 1.359 2.562 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 39 2.358 1.393 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 39 0.300 3.523 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.626 2.719 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.018 3.376 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.760 1.615 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.345 1.645 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.006 0.489 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.245 1.461 -3.567 1.00 0.00 H new ATOM 640 N ALA A 40 3.922 3.053 -6.269 1.00 0.00 N ATOM 641 CA ALA A 40 4.921 3.921 -6.883 1.00 0.00 C ATOM 642 C ALA A 40 4.439 4.451 -8.234 1.00 0.00 C ATOM 643 O ALA A 40 4.705 5.605 -8.570 1.00 0.00 O ATOM 644 CB ALA A 40 6.215 3.125 -7.098 1.00 0.00 C ATOM 0 H ALA A 40 3.989 2.088 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 40 5.094 4.767 -6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.966 3.768 -7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.584 2.764 -6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.016 2.276 -7.752 1.00 0.00 H new ATOM 650 N PHE A 41 3.724 3.619 -8.995 1.00 0.00 N ATOM 651 CA PHE A 41 3.069 3.987 -10.243 1.00 0.00 C ATOM 652 C PHE A 41 1.889 3.038 -10.453 1.00 0.00 C ATOM 653 O PHE A 41 1.936 1.898 -9.991 1.00 0.00 O ATOM 654 CB PHE A 41 4.055 3.906 -11.421 1.00 0.00 C ATOM 655 CG PHE A 41 3.545 4.624 -12.655 1.00 0.00 C ATOM 656 CD1 PHE A 41 3.635 6.028 -12.731 1.00 0.00 C ATOM 657 CD2 PHE A 41 2.936 3.906 -13.704 1.00 0.00 C ATOM 658 CE1 PHE A 41 3.123 6.711 -13.849 1.00 0.00 C ATOM 659 CE2 PHE A 41 2.422 4.591 -14.819 1.00 0.00 C ATOM 660 CZ PHE A 41 2.515 5.993 -14.893 1.00 0.00 C ATOM 0 H PHE A 41 3.583 2.640 -8.747 1.00 0.00 H new ATOM 0 HA PHE A 41 2.715 5.017 -10.191 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.010 4.338 -11.122 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.241 2.860 -11.664 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.099 6.582 -11.928 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.864 2.830 -13.651 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.197 7.787 -13.905 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.954 4.039 -15.621 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.120 6.517 -15.751 1.00 0.00 H new ATOM 780 N VAL A 49 -1.094 6.381 -6.689 1.00 0.00 N ATOM 781 CA VAL A 49 0.201 6.414 -6.019 1.00 0.00 C ATOM 782 C VAL A 49 0.073 6.895 -4.565 1.00 0.00 C ATOM 783 O VAL A 49 -0.816 7.684 -4.235 1.00 0.00 O ATOM 784 CB VAL A 49 1.203 7.258 -6.837 1.00 0.00 C ATOM 785 CG1 VAL A 49 1.483 6.579 -8.184 1.00 0.00 C ATOM 786 CG2 VAL A 49 0.738 8.701 -7.101 1.00 0.00 C ATOM 0 HA VAL A 49 0.592 5.398 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 49 2.104 7.318 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.190 7.181 -8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.905 5.589 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.553 6.484 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.496 9.227 -7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.199 8.685 -7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.586 9.214 -6.151 1.00 0.00 H new ATOM 796 N GLY A 50 0.973 6.422 -3.701 1.00 0.00 N ATOM 797 CA GLY A 50 1.073 6.865 -2.314 1.00 0.00 C ATOM 798 C GLY A 50 0.161 6.101 -1.351 1.00 0.00 C ATOM 799 O GLY A 50 0.337 6.232 -0.139 1.00 0.00 O ATOM 0 H GLY A 50 1.661 5.711 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.106 6.758 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.830 7.926 -2.264 1.00 0.00 H new ATOM 803 N HIS A 51 -0.785 5.292 -1.846 1.00 0.00 N ATOM 804 CA HIS A 51 -1.535 4.376 -0.992 1.00 0.00 C ATOM 805 C HIS A 51 -0.568 3.301 -0.514 1.00 0.00 C ATOM 806 O HIS A 51 0.255 2.825 -1.302 1.00 0.00 O ATOM 807 CB HIS A 51 -2.704 3.729 -1.744 1.00 0.00 C ATOM 808 CG HIS A 51 -3.862 4.668 -1.956 1.00 0.00 C ATOM 809 ND1 HIS A 51 -4.042 5.511 -3.027 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.930 4.843 -1.118 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.193 6.181 -2.838 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.774 5.809 -1.681 1.00 0.00 N ATOM 0 H HIS A 51 -1.045 5.257 -2.832 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.960 4.927 -0.153 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.352 3.371 -2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.048 2.857 -1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.094 4.326 -0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.596 6.916 -3.520 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.650 6.159 -1.294 1.00 0.00 H new ATOM 820 N ALA A 52 -0.671 2.915 0.754 1.00 0.00 N ATOM 821 CA ALA A 52 0.110 1.834 1.320 1.00 0.00 C ATOM 822 C ALA A 52 -0.622 0.521 1.086 1.00 0.00 C ATOM 823 O ALA A 52 -1.852 0.488 1.148 1.00 0.00 O ATOM 824 CB ALA A 52 0.283 2.068 2.825 1.00 0.00 C ATOM 0 H ALA A 52 -1.308 3.352 1.420 1.00 0.00 H new ATOM 0 HA ALA A 52 1.091 1.795 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.870 1.256 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.798 3.015 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.696 2.100 3.303 1.00 0.00 H new ATOM 830 N VAL A 53 0.113 -0.558 0.819 1.00 0.00 N ATOM 831 CA VAL A 53 -0.488 -1.887 0.826 1.00 0.00 C ATOM 832 C VAL A 53 -0.658 -2.241 2.310 1.00 0.00 C ATOM 833 O VAL A 53 0.237 -2.000 3.124 1.00 0.00 O ATOM 834 CB VAL A 53 0.318 -2.902 -0.015 1.00 0.00 C ATOM 835 CG1 VAL A 53 1.838 -2.847 0.178 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.159 -4.342 0.216 1.00 0.00 C ATOM 0 H VAL A 53 1.109 -0.538 0.599 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.460 -1.915 0.333 1.00 0.00 H new ATOM 0 HB VAL A 53 0.119 -2.595 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.312 -3.597 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.204 -1.857 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.080 -3.047 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.434 -5.024 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.040 -4.600 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.210 -4.426 -0.062 1.00 0.00 H new ATOM 846 N LEU A 54 -1.825 -2.781 2.659 1.00 0.00 N ATOM 847 CA LEU A 54 -2.241 -3.102 4.021 1.00 0.00 C ATOM 848 C LEU A 54 -2.422 -4.612 4.172 1.00 0.00 C ATOM 849 O LEU A 54 -2.163 -5.130 5.258 1.00 0.00 O ATOM 850 CB LEU A 54 -3.547 -2.356 4.376 1.00 0.00 C ATOM 851 CG LEU A 54 -3.348 -1.085 5.230 1.00 0.00 C ATOM 852 CD1 LEU A 54 -2.460 -0.028 4.564 1.00 0.00 C ATOM 853 CD2 LEU A 54 -4.718 -0.470 5.538 1.00 0.00 C ATOM 0 H LEU A 54 -2.537 -3.017 1.968 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.464 -2.775 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.056 -2.081 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.206 -3.039 4.912 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.835 -1.395 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.366 0.836 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.473 -0.449 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.909 0.282 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.586 0.428 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.218 -0.211 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.325 -1.190 6.087 1.00 0.00 H new ATOM 865 N ALA A 55 -2.785 -5.344 3.110 1.00 0.00 N ATOM 866 CA ALA A 55 -2.792 -6.805 3.139 1.00 0.00 C ATOM 867 C ALA A 55 -2.543 -7.372 1.743 1.00 0.00 C ATOM 868 O ALA A 55 -2.767 -6.688 0.744 1.00 0.00 O ATOM 869 CB ALA A 55 -4.127 -7.316 3.703 1.00 0.00 C ATOM 0 H ALA A 55 -3.078 -4.942 2.219 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.987 -7.145 3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.121 -8.406 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.262 -6.938 4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.945 -6.967 3.073 1.00 0.00 H new ATOM 875 N ILE A 56 -2.124 -8.635 1.679 1.00 0.00 N ATOM 876 CA ILE A 56 -1.897 -9.383 0.448 1.00 0.00 C ATOM 877 C ILE A 56 -2.443 -10.788 0.687 1.00 0.00 C ATOM 878 O ILE A 56 -2.172 -11.391 1.725 1.00 0.00 O ATOM 879 CB ILE A 56 -0.394 -9.422 0.082 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.146 -8.002 -0.182 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.180 -10.336 -1.141 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.652 -7.946 -0.444 1.00 0.00 C ATOM 0 H ILE A 56 -1.927 -9.184 2.516 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.401 -8.907 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 56 0.164 -9.831 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.377 -7.579 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.087 -7.371 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.880 -10.361 -1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.520 -11.344 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.748 -9.950 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.952 -6.913 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.187 -8.337 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.891 -8.548 -1.320 1.00 0.00 H new ATOM 894 N ASN A 57 -3.193 -11.312 -0.285 1.00 0.00 N ATOM 895 CA ASN A 57 -3.873 -12.610 -0.253 1.00 0.00 C ATOM 896 C ASN A 57 -4.595 -12.849 1.085 1.00 0.00 C ATOM 897 O ASN A 57 -4.624 -13.964 1.608 1.00 0.00 O ATOM 898 CB ASN A 57 -2.907 -13.735 -0.686 1.00 0.00 C ATOM 899 CG ASN A 57 -2.503 -13.624 -2.157 1.00 0.00 C ATOM 900 OD1 ASN A 57 -3.258 -13.125 -2.988 1.00 0.00 O ATOM 901 ND2 ASN A 57 -1.312 -14.063 -2.530 1.00 0.00 N ATOM 0 H ASN A 57 -3.351 -10.816 -1.162 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.677 -12.613 -0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.013 -13.702 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.380 -14.702 -0.514 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.023 -13.987 -3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.683 -14.478 -1.842 1.00 0.00 H new ATOM 908 N GLY A 58 -5.155 -11.773 1.654 1.00 0.00 N ATOM 909 CA GLY A 58 -5.929 -11.776 2.893 1.00 0.00 C ATOM 910 C GLY A 58 -5.080 -11.557 4.149 1.00 0.00 C ATOM 911 O GLY A 58 -5.638 -11.217 5.194 1.00 0.00 O ATOM 0 H GLY A 58 -5.075 -10.842 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.689 -10.997 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.454 -12.727 2.981 1.00 0.00 H new ATOM 915 N MET A 59 -3.758 -11.716 4.068 1.00 0.00 N ATOM 916 CA MET A 59 -2.846 -11.580 5.196 1.00 0.00 C ATOM 917 C MET A 59 -2.414 -10.121 5.313 1.00 0.00 C ATOM 918 O MET A 59 -1.845 -9.566 4.372 1.00 0.00 O ATOM 919 CB MET A 59 -1.611 -12.474 4.992 1.00 0.00 C ATOM 920 CG MET A 59 -1.943 -13.971 4.948 1.00 0.00 C ATOM 921 SD MET A 59 -2.666 -14.641 6.472 1.00 0.00 S ATOM 922 CE MET A 59 -2.885 -16.369 5.965 1.00 0.00 C ATOM 0 H MET A 59 -3.285 -11.948 3.195 1.00 0.00 H new ATOM 0 HA MET A 59 -3.352 -11.890 6.110 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.117 -12.192 4.062 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.901 -12.290 5.799 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.636 -14.150 4.126 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.031 -14.524 4.723 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.323 -16.936 6.786 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.546 -16.413 5.100 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.917 -16.797 5.704 1.00 0.00 H new ATOM 932 N ASP A 60 -2.677 -9.502 6.462 1.00 0.00 N ATOM 933 CA ASP A 60 -2.152 -8.185 6.830 1.00 0.00 C ATOM 934 C ASP A 60 -0.629 -8.169 6.669 1.00 0.00 C ATOM 935 O ASP A 60 0.041 -9.129 7.065 1.00 0.00 O ATOM 936 CB ASP A 60 -2.542 -7.880 8.281 1.00 0.00 C ATOM 937 CG ASP A 60 -1.863 -6.609 8.818 1.00 0.00 C ATOM 938 OD1 ASP A 60 -2.417 -5.504 8.638 1.00 0.00 O ATOM 939 OD2 ASP A 60 -0.808 -6.723 9.481 1.00 0.00 O ATOM 0 H ASP A 60 -3.275 -9.910 7.181 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.574 -7.421 6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.624 -7.766 8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.272 -8.727 8.912 1.00 0.00 H new ATOM 944 N VAL A 61 -0.074 -7.102 6.085 1.00 0.00 N ATOM 945 CA VAL A 61 1.373 -6.962 5.950 1.00 0.00 C ATOM 946 C VAL A 61 1.912 -6.171 7.146 1.00 0.00 C ATOM 947 O VAL A 61 1.420 -5.091 7.483 1.00 0.00 O ATOM 948 CB VAL A 61 1.796 -6.393 4.575 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.356 -7.333 3.439 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.289 -4.982 4.254 1.00 0.00 C ATOM 0 H VAL A 61 -0.609 -6.324 5.699 1.00 0.00 H new ATOM 0 HA VAL A 61 1.832 -7.951 5.970 1.00 0.00 H new ATOM 0 HB VAL A 61 2.881 -6.322 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.663 -6.914 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.821 -8.310 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.272 -7.442 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.644 -4.683 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.199 -4.976 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.663 -4.282 5.002 1.00 0.00 H new ATOM 960 N ASN A 62 2.936 -6.729 7.791 1.00 0.00 N ATOM 961 CA ASN A 62 3.752 -6.088 8.809 1.00 0.00 C ATOM 962 C ASN A 62 4.665 -5.085 8.100 1.00 0.00 C ATOM 963 O ASN A 62 5.833 -5.376 7.824 1.00 0.00 O ATOM 964 CB ASN A 62 4.555 -7.147 9.585 1.00 0.00 C ATOM 965 CG ASN A 62 5.512 -6.515 10.595 1.00 0.00 C ATOM 966 OD1 ASN A 62 5.270 -5.432 11.125 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.615 -7.180 10.898 1.00 0.00 N ATOM 0 H ASN A 62 3.229 -7.688 7.605 1.00 0.00 H new ATOM 0 HA ASN A 62 3.135 -5.564 9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.867 -7.814 10.106 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.121 -7.759 8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.273 -6.795 11.576 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.808 -8.078 10.454 1.00 0.00 H new ATOM 974 N GLY A 63 4.096 -3.941 7.718 1.00 0.00 N ATOM 975 CA GLY A 63 4.774 -2.834 7.059 1.00 0.00 C ATOM 976 C GLY A 63 5.207 -3.193 5.640 1.00 0.00 C ATOM 977 O GLY A 63 4.524 -2.847 4.674 1.00 0.00 O ATOM 0 H GLY A 63 3.104 -3.757 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.111 -1.969 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.648 -2.545 7.643 1.00 0.00 H new ATOM 981 N ARG A 64 6.315 -3.925 5.515 1.00 0.00 N ATOM 982 CA ARG A 64 6.893 -4.378 4.250 1.00 0.00 C ATOM 983 C ARG A 64 7.174 -5.880 4.253 1.00 0.00 C ATOM 984 O ARG A 64 7.810 -6.367 3.320 1.00 0.00 O ATOM 985 CB ARG A 64 8.141 -3.546 3.890 1.00 0.00 C ATOM 986 CG ARG A 64 9.256 -3.536 4.951 1.00 0.00 C ATOM 987 CD ARG A 64 10.652 -3.761 4.351 1.00 0.00 C ATOM 988 NE ARG A 64 11.688 -3.169 5.206 1.00 0.00 N ATOM 989 CZ ARG A 64 13.007 -3.175 4.996 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.554 -3.899 4.022 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.775 -2.418 5.772 1.00 0.00 N ATOM 0 H ARG A 64 6.855 -4.230 6.325 1.00 0.00 H new ATOM 0 HA ARG A 64 6.154 -4.212 3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.554 -3.928 2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.830 -2.518 3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.242 -2.582 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.054 -4.311 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.836 -4.829 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.700 -3.320 3.355 1.00 0.00 H new ATOM 0 HE ARG A 64 11.365 -2.702 6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.963 -4.467 3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.564 -3.886 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.354 -1.850 6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.785 -2.405 5.632 1.00 0.00 H new ATOM 1005 N TYR A 65 6.684 -6.627 5.244 1.00 0.00 N ATOM 1006 CA TYR A 65 6.769 -8.083 5.266 1.00 0.00 C ATOM 1007 C TYR A 65 5.356 -8.643 5.399 1.00 0.00 C ATOM 1008 O TYR A 65 4.487 -7.967 5.946 1.00 0.00 O ATOM 1009 CB TYR A 65 7.682 -8.541 6.413 1.00 0.00 C ATOM 1010 CG TYR A 65 9.107 -8.028 6.296 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.464 -6.792 6.872 1.00 0.00 C ATOM 1012 CD2 TYR A 65 10.067 -8.767 5.579 1.00 0.00 C ATOM 1013 CE1 TYR A 65 10.767 -6.286 6.713 1.00 0.00 C ATOM 1014 CE2 TYR A 65 11.375 -8.274 5.427 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.732 -7.029 5.996 1.00 0.00 C ATOM 1016 OH TYR A 65 12.996 -6.539 5.864 1.00 0.00 O ATOM 0 H TYR A 65 6.214 -6.233 6.059 1.00 0.00 H new ATOM 0 HA TYR A 65 7.209 -8.459 4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.260 -8.204 7.360 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.698 -9.631 6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.734 -6.231 7.438 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.797 -9.718 5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.030 -5.329 7.139 1.00 0.00 H new ATOM 0 HE2 TYR A 65 12.107 -8.846 4.876 1.00 0.00 H new ATOM 0 HH TYR A 65 13.539 -7.169 5.345 1.00 0.00 H new ATOM 1026 N THR A 66 5.082 -9.847 4.903 1.00 0.00 N ATOM 1027 CA THR A 66 3.791 -10.486 5.113 1.00 0.00 C ATOM 1028 C THR A 66 3.657 -10.937 6.572 1.00 0.00 C ATOM 1029 O THR A 66 4.609 -10.880 7.358 1.00 0.00 O ATOM 1030 CB THR A 66 3.606 -11.667 4.146 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.640 -12.620 4.308 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.581 -11.202 2.689 1.00 0.00 C ATOM 0 H THR A 66 5.740 -10.399 4.352 1.00 0.00 H new ATOM 0 HA THR A 66 3.003 -9.762 4.906 1.00 0.00 H new ATOM 0 HB THR A 66 2.647 -12.125 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.501 -13.363 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.449 -12.063 2.034 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.755 -10.506 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.521 -10.705 2.449 1.00 0.00 H new ATOM 1040 N ALA A 67 2.470 -11.439 6.915 1.00 0.00 N ATOM 1041 CA ALA A 67 2.228 -12.114 8.181 1.00 0.00 C ATOM 1042 C ALA A 67 3.175 -13.314 8.341 1.00 0.00 C ATOM 1043 O ALA A 67 3.665 -13.578 9.439 1.00 0.00 O ATOM 1044 CB ALA A 67 0.774 -12.585 8.202 1.00 0.00 C ATOM 0 H ALA A 67 1.647 -11.386 6.315 1.00 0.00 H new ATOM 0 HA ALA A 67 2.413 -11.428 9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.570 -13.095 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.112 -11.725 8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.602 -13.272 7.373 1.00 0.00 H new ATOM 1050 N ASP A 68 3.429 -14.033 7.241 1.00 0.00 N ATOM 1051 CA ASP A 68 4.349 -15.172 7.207 1.00 0.00 C ATOM 1052 C ASP A 68 5.809 -14.721 7.326 1.00 0.00 C ATOM 1053 O ASP A 68 6.597 -15.381 8.008 1.00 0.00 O ATOM 1054 CB ASP A 68 4.164 -15.968 5.910 1.00 0.00 C ATOM 1055 CG ASP A 68 5.129 -17.166 5.865 1.00 0.00 C ATOM 1056 OD1 ASP A 68 4.875 -18.176 6.560 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.129 -17.116 5.116 1.00 0.00 O ATOM 0 H ASP A 68 2.995 -13.836 6.339 1.00 0.00 H new ATOM 0 HA ASP A 68 4.115 -15.806 8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.135 -16.320 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.340 -15.320 5.051 1.00 0.00 H new ATOM 1062 N GLY A 69 6.163 -13.589 6.707 1.00 0.00 N ATOM 1063 CA GLY A 69 7.472 -12.950 6.832 1.00 0.00 C ATOM 1064 C GLY A 69 8.201 -12.753 5.500 1.00 0.00 C ATOM 1065 O GLY A 69 9.360 -12.334 5.507 1.00 0.00 O ATOM 0 H GLY A 69 5.529 -13.081 6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.346 -11.980 7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.097 -13.553 7.491 1.00 0.00 H new ATOM 1069 N LYS A 70 7.567 -13.052 4.358 1.00 0.00 N ATOM 1070 CA LYS A 70 8.118 -12.742 3.037 1.00 0.00 C ATOM 1071 C LYS A 70 8.230 -11.227 2.925 1.00 0.00 C ATOM 1072 O LYS A 70 7.294 -10.538 3.325 1.00 0.00 O ATOM 1073 CB LYS A 70 7.171 -13.246 1.932 1.00 0.00 C ATOM 1074 CG LYS A 70 6.988 -14.773 1.862 1.00 0.00 C ATOM 1075 CD LYS A 70 8.262 -15.582 1.575 1.00 0.00 C ATOM 1076 CE LYS A 70 9.077 -15.022 0.396 1.00 0.00 C ATOM 1077 NZ LYS A 70 10.340 -15.764 0.168 1.00 0.00 N ATOM 0 H LYS A 70 6.659 -13.515 4.327 1.00 0.00 H new ATOM 0 HA LYS A 70 9.089 -13.224 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.193 -12.787 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.546 -12.898 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.568 -15.114 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.254 -14.998 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.887 -15.594 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.989 -16.616 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.471 -15.059 -0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.306 -13.973 0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.002 -15.167 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.764 -16.016 1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.141 -16.630 -0.372 1.00 0.00 H new ATOM 1091 N GLU A 71 9.319 -10.687 2.376 1.00 0.00 N ATOM 1092 CA GLU A 71 9.350 -9.265 2.058 1.00 0.00 C ATOM 1093 C GLU A 71 8.364 -9.051 0.910 1.00 0.00 C ATOM 1094 O GLU A 71 8.388 -9.787 -0.079 1.00 0.00 O ATOM 1095 CB GLU A 71 10.770 -8.794 1.710 1.00 0.00 C ATOM 1096 CG GLU A 71 10.799 -7.265 1.544 1.00 0.00 C ATOM 1097 CD GLU A 71 12.220 -6.682 1.484 1.00 0.00 C ATOM 1098 OE1 GLU A 71 13.042 -7.132 0.653 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.504 -5.736 2.253 1.00 0.00 O ATOM 0 H GLU A 71 10.170 -11.200 2.148 1.00 0.00 H new ATOM 0 HA GLU A 71 9.057 -8.665 2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.463 -9.095 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.104 -9.273 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.266 -6.996 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.262 -6.807 2.374 1.00 0.00 H new ATOM 1106 N VAL A 72 7.495 -8.053 1.040 1.00 0.00 N ATOM 1107 CA VAL A 72 6.415 -7.767 0.100 1.00 0.00 C ATOM 1108 C VAL A 72 6.963 -7.557 -1.315 1.00 0.00 C ATOM 1109 O VAL A 72 6.383 -8.068 -2.274 1.00 0.00 O ATOM 1110 CB VAL A 72 5.619 -6.556 0.637 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.717 -5.903 -0.418 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.764 -6.980 1.844 1.00 0.00 C ATOM 0 H VAL A 72 7.523 -7.402 1.825 1.00 0.00 H new ATOM 0 HA VAL A 72 5.734 -8.614 0.021 1.00 0.00 H new ATOM 0 HB VAL A 72 6.358 -5.811 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.188 -5.060 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.327 -5.550 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.995 -6.634 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.207 -6.120 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.066 -7.760 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.412 -7.361 2.633 1.00 0.00 H new ATOM 1122 N LEU A 73 8.088 -6.846 -1.456 1.00 0.00 N ATOM 1123 CA LEU A 73 8.664 -6.575 -2.770 1.00 0.00 C ATOM 1124 C LEU A 73 9.135 -7.869 -3.431 1.00 0.00 C ATOM 1125 O LEU A 73 8.962 -8.026 -4.639 1.00 0.00 O ATOM 1126 CB LEU A 73 9.827 -5.572 -2.678 1.00 0.00 C ATOM 1127 CG LEU A 73 9.449 -4.163 -2.179 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.695 -3.274 -2.199 1.00 0.00 C ATOM 1129 CD2 LEU A 73 8.345 -3.498 -3.013 1.00 0.00 C ATOM 0 H LEU A 73 8.613 -6.451 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 73 7.882 -6.130 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.586 -5.983 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.283 -5.479 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 73 9.058 -4.278 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.435 -2.276 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.457 -3.701 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.081 -3.211 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.128 -2.510 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.678 -3.401 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.444 -4.110 -2.978 1.00 0.00 H new ATOM 1141 N GLU A 74 9.695 -8.812 -2.665 1.00 0.00 N ATOM 1142 CA GLU A 74 10.097 -10.106 -3.205 1.00 0.00 C ATOM 1143 C GLU A 74 8.846 -10.912 -3.564 1.00 0.00 C ATOM 1144 O GLU A 74 8.772 -11.476 -4.653 1.00 0.00 O ATOM 1145 CB GLU A 74 10.978 -10.857 -2.191 1.00 0.00 C ATOM 1146 CG GLU A 74 11.555 -12.149 -2.792 1.00 0.00 C ATOM 1147 CD GLU A 74 12.396 -12.936 -1.774 1.00 0.00 C ATOM 1148 OE1 GLU A 74 13.574 -12.580 -1.537 1.00 0.00 O ATOM 1149 OE2 GLU A 74 11.890 -13.943 -1.227 1.00 0.00 O ATOM 0 H GLU A 74 9.878 -8.698 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 74 10.689 -9.961 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.793 -10.210 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.390 -11.098 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.739 -12.777 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.171 -11.902 -3.657 1.00 0.00 H new ATOM 1156 N TYR A 75 7.849 -10.936 -2.676 1.00 0.00 N ATOM 1157 CA TYR A 75 6.641 -11.729 -2.847 1.00 0.00 C ATOM 1158 C TYR A 75 5.883 -11.326 -4.114 1.00 0.00 C ATOM 1159 O TYR A 75 5.455 -12.188 -4.884 1.00 0.00 O ATOM 1160 CB TYR A 75 5.754 -11.563 -1.606 1.00 0.00 C ATOM 1161 CG TYR A 75 4.568 -12.503 -1.586 1.00 0.00 C ATOM 1162 CD1 TYR A 75 4.751 -13.842 -1.198 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.291 -12.052 -1.967 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.659 -14.726 -1.146 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.196 -12.934 -1.941 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.369 -14.271 -1.515 1.00 0.00 C ATOM 1167 OH TYR A 75 1.289 -15.103 -1.461 1.00 0.00 O ATOM 0 H TYR A 75 7.863 -10.397 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 75 6.919 -12.777 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.356 -11.730 -0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.395 -10.535 -1.560 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.738 -14.194 -0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.152 -11.028 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.803 -15.747 -0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.220 -12.589 -2.247 1.00 0.00 H new ATOM 0 HH TYR A 75 1.421 -15.765 -0.751 1.00 0.00 H new ATOM 1177 N LEU A 76 5.726 -10.019 -4.344 1.00 0.00 N ATOM 1178 CA LEU A 76 5.021 -9.501 -5.511 1.00 0.00 C ATOM 1179 C LEU A 76 5.929 -9.484 -6.742 1.00 0.00 C ATOM 1180 O LEU A 76 5.432 -9.645 -7.857 1.00 0.00 O ATOM 1181 CB LEU A 76 4.475 -8.093 -5.219 1.00 0.00 C ATOM 1182 CG LEU A 76 3.392 -8.042 -4.118 1.00 0.00 C ATOM 1183 CD1 LEU A 76 2.961 -6.588 -3.896 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.160 -8.887 -4.462 1.00 0.00 C ATOM 0 H LEU A 76 6.086 -9.293 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 76 4.183 -10.164 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.304 -7.449 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.060 -7.680 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 76 3.831 -8.459 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.197 -6.550 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.823 -5.996 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.557 -6.183 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.432 -8.814 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.714 -8.520 -5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.457 -9.928 -4.590 1.00 0.00 H new ATOM 1196 N GLY A 77 7.243 -9.311 -6.568 1.00 0.00 N ATOM 1197 CA GLY A 77 8.196 -9.293 -7.670 1.00 0.00 C ATOM 1198 C GLY A 77 8.393 -10.682 -8.280 1.00 0.00 C ATOM 1199 O GLY A 77 8.573 -10.791 -9.494 1.00 0.00 O ATOM 0 H GLY A 77 7.672 -9.179 -5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.847 -8.605 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.154 -8.914 -7.315 1.00 0.00 H new ATOM 1203 N ASN A 78 8.345 -11.737 -7.459 1.00 0.00 N ATOM 1204 CA ASN A 78 8.509 -13.123 -7.888 1.00 0.00 C ATOM 1205 C ASN A 78 7.419 -13.497 -8.902 1.00 0.00 C ATOM 1206 O ASN A 78 6.242 -13.487 -8.532 1.00 0.00 O ATOM 1207 CB ASN A 78 8.434 -14.065 -6.677 1.00 0.00 C ATOM 1208 CG ASN A 78 8.532 -15.524 -7.111 1.00 0.00 C ATOM 1209 OD1 ASN A 78 9.397 -15.894 -7.897 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.652 -16.384 -6.636 1.00 0.00 N ATOM 0 H ASN A 78 8.187 -11.645 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 78 9.486 -13.227 -8.361 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.241 -13.834 -5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.497 -13.903 -6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.689 -17.362 -6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.934 -16.071 -5.982 1.00 0.00 H new ATOM 1217 N PRO A 79 7.758 -13.849 -10.157 1.00 0.00 N ATOM 1218 CA PRO A 79 6.752 -14.128 -11.174 1.00 0.00 C ATOM 1219 C PRO A 79 5.962 -15.400 -10.863 1.00 0.00 C ATOM 1220 O PRO A 79 4.780 -15.453 -11.176 1.00 0.00 O ATOM 1221 CB PRO A 79 7.516 -14.230 -12.499 1.00 0.00 C ATOM 1222 CG PRO A 79 8.929 -14.626 -12.080 1.00 0.00 C ATOM 1223 CD PRO A 79 9.096 -13.937 -10.728 1.00 0.00 C ATOM 0 HA PRO A 79 6.001 -13.339 -11.215 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.072 -14.975 -13.160 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.510 -13.282 -13.037 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.037 -15.708 -11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.673 -14.286 -12.800 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.761 -14.506 -10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.536 -12.947 -10.846 1.00 0.00 H new ATOM 1231 N ALA A 80 6.561 -16.406 -10.213 1.00 0.00 N ATOM 1232 CA ALA A 80 5.969 -17.738 -10.053 1.00 0.00 C ATOM 1233 C ALA A 80 4.647 -17.784 -9.256 1.00 0.00 C ATOM 1234 O ALA A 80 4.065 -18.862 -9.127 1.00 0.00 O ATOM 1235 CB ALA A 80 7.011 -18.690 -9.452 1.00 0.00 C ATOM 0 H ALA A 80 7.480 -16.316 -9.779 1.00 0.00 H new ATOM 0 HA ALA A 80 5.685 -18.061 -11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.573 -19.681 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.873 -18.752 -10.116 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.329 -18.314 -8.480 1.00 0.00 H new ATOM 1241 N ASN A 81 4.169 -16.659 -8.711 1.00 0.00 N ATOM 1242 CA ASN A 81 2.916 -16.552 -7.962 1.00 0.00 C ATOM 1243 C ASN A 81 2.067 -15.372 -8.452 1.00 0.00 C ATOM 1244 O ASN A 81 1.541 -14.606 -7.647 1.00 0.00 O ATOM 1245 CB ASN A 81 3.170 -16.548 -6.443 1.00 0.00 C ATOM 1246 CG ASN A 81 4.091 -15.441 -5.916 1.00 0.00 C ATOM 1247 OD1 ASN A 81 5.196 -15.717 -5.461 1.00 0.00 O ATOM 1248 ND2 ASN A 81 3.681 -14.187 -5.945 1.00 0.00 N ATOM 0 H ASN A 81 4.662 -15.769 -8.783 1.00 0.00 H new ATOM 0 HA ASN A 81 2.320 -17.443 -8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.209 -16.466 -5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.597 -17.511 -6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.283 -13.445 -5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.762 -13.960 -6.324 1.00 0.00 H new ATOM 1255 N TYR A 82 1.941 -15.221 -9.776 1.00 0.00 N ATOM 1256 CA TYR A 82 1.219 -14.125 -10.425 1.00 0.00 C ATOM 1257 C TYR A 82 -0.111 -13.714 -9.768 1.00 0.00 C ATOM 1258 O TYR A 82 -0.237 -12.524 -9.489 1.00 0.00 O ATOM 1259 CB TYR A 82 0.971 -14.416 -11.914 1.00 0.00 C ATOM 1260 CG TYR A 82 2.162 -14.873 -12.727 1.00 0.00 C ATOM 1261 CD1 TYR A 82 2.984 -13.919 -13.350 1.00 0.00 C ATOM 1262 CD2 TYR A 82 2.424 -16.248 -12.890 1.00 0.00 C ATOM 1263 CE1 TYR A 82 4.057 -14.325 -14.158 1.00 0.00 C ATOM 1264 CE2 TYR A 82 3.486 -16.666 -13.713 1.00 0.00 C ATOM 1265 CZ TYR A 82 4.309 -15.704 -14.352 1.00 0.00 C ATOM 1266 OH TYR A 82 5.346 -16.092 -15.147 1.00 0.00 O ATOM 0 H TYR A 82 2.350 -15.877 -10.442 1.00 0.00 H new ATOM 0 HA TYR A 82 1.892 -13.277 -10.300 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.197 -15.180 -11.987 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.572 -13.513 -12.375 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.789 -12.867 -13.206 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.811 -16.979 -12.384 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.689 -13.587 -14.630 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.674 -17.720 -13.858 1.00 0.00 H new ATOM 0 HH TYR A 82 5.387 -17.071 -15.177 1.00 0.00 H new ATOM 1276 N PRO A 83 -1.107 -14.599 -9.540 1.00 0.00 N ATOM 1277 CA PRO A 83 -2.410 -14.154 -9.062 1.00 0.00 C ATOM 1278 C PRO A 83 -2.289 -13.659 -7.620 1.00 0.00 C ATOM 1279 O PRO A 83 -1.956 -14.438 -6.721 1.00 0.00 O ATOM 1280 CB PRO A 83 -3.348 -15.357 -9.200 1.00 0.00 C ATOM 1281 CG PRO A 83 -2.407 -16.558 -9.119 1.00 0.00 C ATOM 1282 CD PRO A 83 -1.128 -16.040 -9.773 1.00 0.00 C ATOM 0 HA PRO A 83 -2.804 -13.315 -9.636 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -4.093 -15.377 -8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.891 -15.336 -10.145 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -2.236 -16.867 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.809 -17.422 -9.648 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.249 -16.517 -9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.119 -16.262 -10.840 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.583 -12.377 -7.387 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.464 -11.769 -6.067 1.00 0.00 C ATOM 1292 C VAL A 84 -3.650 -10.840 -5.830 1.00 0.00 C ATOM 1293 O VAL A 84 -3.971 -10.008 -6.680 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.107 -11.035 -5.916 1.00 0.00 C ATOM 1295 CG1 VAL A 84 0.080 -12.011 -5.900 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -0.833 -9.970 -6.994 1.00 0.00 C ATOM 0 H VAL A 84 -2.909 -11.735 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.483 -12.547 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.198 -10.526 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.009 -11.452 -5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.027 -12.701 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.101 -12.574 -6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.137 -9.508 -6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.831 -10.440 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.611 -9.207 -6.958 1.00 0.00 H new ATOM 1306 N SER A 85 -4.299 -10.973 -4.677 1.00 0.00 N ATOM 1307 CA SER A 85 -5.302 -10.029 -4.206 1.00 0.00 C ATOM 1308 C SER A 85 -4.590 -9.116 -3.216 1.00 0.00 C ATOM 1309 O SER A 85 -3.774 -9.591 -2.424 1.00 0.00 O ATOM 1310 CB SER A 85 -6.477 -10.770 -3.562 1.00 0.00 C ATOM 1311 OG SER A 85 -7.126 -11.597 -4.512 1.00 0.00 O ATOM 0 H SER A 85 -4.139 -11.751 -4.036 1.00 0.00 H new ATOM 0 HA SER A 85 -5.727 -9.446 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.120 -11.375 -2.729 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.187 -10.051 -3.152 1.00 0.00 H new ATOM 0 HG SER A 85 -7.873 -12.064 -4.083 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.872 -7.817 -3.253 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.169 -6.810 -2.477 1.00 0.00 C ATOM 1319 C ILE A 86 -5.246 -5.946 -1.825 1.00 0.00 C ATOM 1320 O ILE A 86 -6.268 -5.635 -2.444 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.241 -5.955 -3.379 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.392 -6.726 -4.419 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.313 -5.094 -2.504 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.274 -7.604 -3.852 1.00 0.00 C ATOM 0 H ILE A 86 -5.613 -7.430 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.526 -7.271 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.926 -5.348 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.059 -7.356 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.948 -6.004 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.663 -4.495 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.913 -4.435 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.705 -5.741 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.747 -8.095 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.575 -6.985 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.703 -8.358 -3.192 1.00 0.00 H new ATOM 1336 N ARG A 87 -4.996 -5.526 -0.587 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.802 -4.531 0.101 1.00 0.00 C ATOM 1338 C ARG A 87 -4.863 -3.387 0.416 1.00 0.00 C ATOM 1339 O ARG A 87 -3.720 -3.628 0.815 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.451 -5.077 1.382 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.070 -6.477 1.221 1.00 0.00 C ATOM 1342 CD ARG A 87 -7.966 -6.839 2.411 1.00 0.00 C ATOM 1343 NE ARG A 87 -9.265 -6.157 2.304 1.00 0.00 N ATOM 1344 CZ ARG A 87 -9.708 -5.088 2.969 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -9.012 -4.521 3.951 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -10.883 -4.607 2.605 1.00 0.00 N ATOM 0 H ARG A 87 -4.216 -5.874 -0.029 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.635 -4.217 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.700 -5.111 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.226 -4.384 1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.654 -6.514 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.276 -7.217 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.117 -7.918 2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.476 -6.556 3.342 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.917 -6.556 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.105 -4.903 4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.385 -3.705 4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.404 -5.051 1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.269 -3.791 3.080 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.344 -2.164 0.263 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.575 -0.941 0.388 1.00 0.00 C ATOM 1362 C PHE A 88 -5.299 -0.014 1.352 1.00 0.00 C ATOM 1363 O PHE A 88 -6.465 -0.240 1.687 1.00 0.00 O ATOM 1364 CB PHE A 88 -4.456 -0.245 -0.977 1.00 0.00 C ATOM 1365 CG PHE A 88 -3.783 -1.025 -2.088 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -4.550 -1.840 -2.943 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -2.405 -0.861 -2.326 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -3.950 -2.447 -4.058 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -1.801 -1.493 -3.427 1.00 0.00 C ATOM 1370 CZ PHE A 88 -2.577 -2.269 -4.305 1.00 0.00 C ATOM 0 H PHE A 88 -6.324 -1.991 0.039 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.576 -1.177 0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.459 0.023 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.908 0.686 -0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.599 -1.998 -2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.812 -0.249 -1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.544 -3.052 -4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.740 -1.382 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.119 -2.728 -5.169 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.642 1.072 1.739 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.246 2.144 2.497 1.00 0.00 C ATOM 1382 C GLY A 89 -4.325 3.346 2.545 1.00 0.00 C ATOM 1383 O GLY A 89 -3.249 3.355 1.937 1.00 0.00 O ATOM 0 H GLY A 89 -3.657 1.229 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.197 2.425 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.462 1.804 3.510 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.764 4.392 3.241 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.909 5.550 3.489 1.00 0.00 C ATOM 1389 C ARG A 90 -2.758 5.113 4.410 1.00 0.00 C ATOM 1390 O ARG A 90 -2.959 4.222 5.240 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.743 6.698 4.094 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.983 7.100 3.269 1.00 0.00 C ATOM 1393 CD ARG A 90 -5.671 7.408 1.798 1.00 0.00 C ATOM 1394 NE ARG A 90 -6.884 7.778 1.048 1.00 0.00 N ATOM 1395 CZ ARG A 90 -7.272 9.011 0.704 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -6.598 10.088 1.102 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -8.354 9.145 -0.053 1.00 0.00 N ATOM 0 H ARG A 90 -5.700 4.462 3.641 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.482 5.927 2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.067 6.406 5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.102 7.572 4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.716 6.295 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.443 7.976 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.947 8.221 1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.208 6.537 1.334 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.493 7.012 0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.766 9.983 1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.914 11.018 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.868 8.319 -0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.671 10.074 -0.329 1.00 0.00 H new