USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 453 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 72 HIS : no HE2:sc= -5.34! C(o=-13!,f=-13!) USER MOD Set 1.2: A 76 ASN : amide:sc= -7.26! C(o=-13!,f=-24!) USER MOD Set 2.1: A 17 ASN : amide:sc= -4.04! K(o=-3.9!,f=-0.8) USER MOD Set 2.2: A 20 THR OG1 : rot 123:sc= 0.153 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -3.97! C(o=-4!,f=-8.4!) USER MOD Single : A 28 ASN : amide:sc= -3.52! K(o=-3.5!,f=-0.64) USER MOD Single : A 29 SER OG : rot -65:sc= 1.07 USER MOD Single : A 36 GLN : amide:sc= -2.8! K(o=-2.8!,f=-0.42) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 144:sc= -0.239 (180deg=-1.48!) USER MOD Single : A 79 THR OG1 : rot 118:sc= -1.19 USER MOD Single : A 80 ASN : amide:sc= -3.39! K(o=-3.4!,f=-1.2) USER MOD Single : A 81 GLN : amide:sc= -2.76! K(o=-2.8!,f=-0.32) USER MOD Single : A 86 THR OG1 : rot -120:sc= -0.45 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -27:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 268 N ASN A 17 6.109 9.392 -6.587 1.00 0.00 N ATOM 269 CA ASN A 17 6.607 8.198 -7.327 1.00 0.00 C ATOM 270 C ASN A 17 5.885 6.933 -6.834 1.00 0.00 C ATOM 271 O ASN A 17 6.516 6.045 -6.295 1.00 0.00 O ATOM 272 CB ASN A 17 8.111 8.049 -7.086 1.00 0.00 C ATOM 273 CG ASN A 17 8.665 6.931 -7.970 1.00 0.00 C ATOM 274 OD1 ASN A 17 9.858 6.705 -8.009 1.00 0.00 O ATOM 275 ND2 ASN A 17 7.843 6.214 -8.686 1.00 0.00 N ATOM 0 HA ASN A 17 6.411 8.328 -8.391 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.620 8.987 -7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.301 7.824 -6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.202 5.465 -9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.841 6.403 -8.654 1.00 0.00 H new ATOM 282 N PRO A 18 4.581 6.875 -7.027 1.00 0.00 N ATOM 283 CA PRO A 18 3.786 5.708 -6.594 1.00 0.00 C ATOM 284 C PRO A 18 4.190 4.465 -7.405 1.00 0.00 C ATOM 285 O PRO A 18 3.972 3.344 -6.992 1.00 0.00 O ATOM 286 CB PRO A 18 2.315 6.101 -6.877 1.00 0.00 C ATOM 287 CG PRO A 18 2.336 7.455 -7.645 1.00 0.00 C ATOM 288 CD PRO A 18 3.799 7.951 -7.678 1.00 0.00 C ATOM 0 HA PRO A 18 3.942 5.461 -5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.819 5.332 -7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.757 6.196 -5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.952 7.327 -8.657 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.695 8.185 -7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.136 8.121 -8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.908 8.896 -7.146 1.00 0.00 H new ATOM 296 N LYS A 19 4.765 4.660 -8.558 1.00 0.00 N ATOM 297 CA LYS A 19 5.169 3.502 -9.405 1.00 0.00 C ATOM 298 C LYS A 19 6.124 2.575 -8.644 1.00 0.00 C ATOM 299 O LYS A 19 6.093 1.372 -8.819 1.00 0.00 O ATOM 300 CB LYS A 19 5.873 4.014 -10.665 1.00 0.00 C ATOM 301 CG LYS A 19 6.260 2.822 -11.559 1.00 0.00 C ATOM 302 CD LYS A 19 6.433 3.287 -13.007 1.00 0.00 C ATOM 303 CE LYS A 19 7.090 2.174 -13.825 1.00 0.00 C ATOM 304 NZ LYS A 19 7.240 2.616 -15.239 1.00 0.00 N ATOM 0 H LYS A 19 4.974 5.577 -8.953 1.00 0.00 H new ATOM 0 HA LYS A 19 4.273 2.942 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.217 4.693 -11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.763 4.581 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.186 2.373 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.491 2.052 -11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.464 3.545 -13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.046 4.188 -13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.065 1.927 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.485 1.269 -13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.687 1.858 -15.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.303 2.830 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.835 3.468 -15.275 1.00 0.00 H new ATOM 318 N THR A 20 6.988 3.109 -7.823 1.00 0.00 N ATOM 319 CA THR A 20 7.941 2.234 -7.099 1.00 0.00 C ATOM 320 C THR A 20 7.206 1.419 -6.029 1.00 0.00 C ATOM 321 O THR A 20 7.470 0.248 -5.843 1.00 0.00 O ATOM 322 CB THR A 20 9.028 3.094 -6.454 1.00 0.00 C ATOM 323 OG1 THR A 20 9.804 3.721 -7.466 1.00 0.00 O ATOM 324 CG2 THR A 20 9.924 2.212 -5.593 1.00 0.00 C ATOM 0 H THR A 20 7.072 4.106 -7.626 1.00 0.00 H new ATOM 0 HA THR A 20 8.400 1.541 -7.804 1.00 0.00 H new ATOM 0 HB THR A 20 8.565 3.860 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.777 4.693 -7.344 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.700 2.822 -5.132 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.327 1.736 -4.815 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.387 1.446 -6.215 1.00 0.00 H new ATOM 332 N PHE A 21 6.289 2.022 -5.324 1.00 0.00 N ATOM 333 CA PHE A 21 5.553 1.265 -4.270 1.00 0.00 C ATOM 334 C PHE A 21 4.900 0.034 -4.920 1.00 0.00 C ATOM 335 O PHE A 21 4.824 -1.025 -4.331 1.00 0.00 O ATOM 336 CB PHE A 21 4.488 2.202 -3.622 1.00 0.00 C ATOM 337 CG PHE A 21 3.123 1.539 -3.571 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.349 1.456 -4.734 1.00 0.00 C ATOM 339 CD2 PHE A 21 2.643 1.002 -2.371 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.094 0.840 -4.699 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.386 0.383 -2.335 1.00 0.00 C ATOM 342 CZ PHE A 21 0.612 0.302 -3.499 1.00 0.00 C ATOM 0 H PHE A 21 6.018 3.000 -5.430 1.00 0.00 H new ATOM 0 HA PHE A 21 6.229 0.926 -3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.802 2.469 -2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.423 3.129 -4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.722 1.868 -5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.241 1.065 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.497 0.779 -5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.014 -0.031 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.356 -0.175 -3.472 1.00 0.00 H new ATOM 352 N PHE A 22 4.424 0.175 -6.125 1.00 0.00 N ATOM 353 CA PHE A 22 3.771 -0.974 -6.810 1.00 0.00 C ATOM 354 C PHE A 22 4.805 -2.067 -7.110 1.00 0.00 C ATOM 355 O PHE A 22 4.510 -3.248 -7.057 1.00 0.00 O ATOM 356 CB PHE A 22 3.137 -0.482 -8.120 1.00 0.00 C ATOM 357 CG PHE A 22 2.228 -1.551 -8.669 1.00 0.00 C ATOM 358 CD1 PHE A 22 2.750 -2.567 -9.479 1.00 0.00 C ATOM 359 CD2 PHE A 22 0.861 -1.528 -8.368 1.00 0.00 C ATOM 360 CE1 PHE A 22 1.906 -3.560 -9.987 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.017 -2.519 -8.875 1.00 0.00 C ATOM 362 CZ PHE A 22 0.538 -3.536 -9.684 1.00 0.00 C ATOM 0 H PHE A 22 4.459 1.039 -6.666 1.00 0.00 H new ATOM 0 HA PHE A 22 3.000 -1.392 -6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.573 0.434 -7.942 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.914 -0.242 -8.846 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.805 -2.584 -9.712 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.459 -0.744 -7.744 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.308 -4.344 -10.612 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.038 -2.501 -8.643 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.115 -4.302 -10.075 1.00 0.00 H new ATOM 372 N ILE A 23 6.020 -1.695 -7.418 1.00 0.00 N ATOM 373 CA ILE A 23 7.049 -2.716 -7.717 1.00 0.00 C ATOM 374 C ILE A 23 7.496 -3.383 -6.415 1.00 0.00 C ATOM 375 O ILE A 23 7.343 -4.575 -6.235 1.00 0.00 O ATOM 376 CB ILE A 23 8.229 -2.026 -8.398 1.00 0.00 C ATOM 377 CG1 ILE A 23 7.754 -1.445 -9.735 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.340 -3.041 -8.643 1.00 0.00 C ATOM 379 CD1 ILE A 23 8.827 -0.522 -10.313 1.00 0.00 C ATOM 0 H ILE A 23 6.337 -0.727 -7.474 1.00 0.00 H new ATOM 0 HA ILE A 23 6.647 -3.484 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 23 8.612 -1.227 -7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.540 -2.252 -10.436 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.825 -0.892 -9.592 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.182 -2.548 -9.129 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.665 -3.461 -7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.968 -3.840 -9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.482 -0.113 -11.263 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.020 0.293 -9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.745 -1.087 -10.473 1.00 0.00 H new ATOM 391 N LEU A 24 8.045 -2.629 -5.502 1.00 0.00 N ATOM 392 CA LEU A 24 8.498 -3.229 -4.213 1.00 0.00 C ATOM 393 C LEU A 24 7.412 -4.159 -3.629 1.00 0.00 C ATOM 394 O LEU A 24 7.724 -5.189 -3.066 1.00 0.00 O ATOM 395 CB LEU A 24 8.803 -2.104 -3.213 1.00 0.00 C ATOM 396 CG LEU A 24 9.649 -2.647 -2.038 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.140 -2.640 -2.405 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.443 -1.768 -0.798 1.00 0.00 C ATOM 0 H LEU A 24 8.200 -1.625 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 24 9.395 -3.820 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.339 -1.298 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.872 -1.681 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 24 9.331 -3.668 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.723 -3.025 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.302 -3.269 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.455 -1.621 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.042 -2.156 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.751 -0.746 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.390 -1.776 -0.517 1.00 0.00 H new ATOM 410 N HIS A 25 6.146 -3.823 -3.747 1.00 0.00 N ATOM 411 CA HIS A 25 5.090 -4.717 -3.186 1.00 0.00 C ATOM 412 C HIS A 25 4.903 -5.931 -4.099 1.00 0.00 C ATOM 413 O HIS A 25 4.365 -6.942 -3.693 1.00 0.00 O ATOM 414 CB HIS A 25 3.764 -3.959 -3.080 1.00 0.00 C ATOM 415 CG HIS A 25 3.914 -2.811 -2.120 1.00 0.00 C ATOM 416 ND1 HIS A 25 5.101 -2.108 -1.986 1.00 0.00 N ATOM 417 CD2 HIS A 25 3.034 -2.232 -1.239 1.00 0.00 C ATOM 418 CE1 HIS A 25 4.905 -1.156 -1.056 1.00 0.00 C ATOM 419 NE2 HIS A 25 3.662 -1.187 -0.568 1.00 0.00 N ATOM 0 H HIS A 25 5.805 -2.977 -4.203 1.00 0.00 H new ATOM 0 HA HIS A 25 5.399 -5.047 -2.194 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.466 -3.589 -4.061 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.976 -4.631 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.010 -2.541 -1.090 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.661 -0.452 -0.742 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.260 -0.576 0.143 1.00 0.00 H new ATOM 427 N ASP A 26 5.352 -5.850 -5.322 1.00 0.00 N ATOM 428 CA ASP A 26 5.203 -7.017 -6.239 1.00 0.00 C ATOM 429 C ASP A 26 6.245 -8.080 -5.860 1.00 0.00 C ATOM 430 O ASP A 26 7.364 -8.065 -6.334 1.00 0.00 O ATOM 431 CB ASP A 26 5.413 -6.559 -7.689 1.00 0.00 C ATOM 432 CG ASP A 26 4.726 -7.536 -8.647 1.00 0.00 C ATOM 433 OD1 ASP A 26 4.759 -8.724 -8.374 1.00 0.00 O ATOM 434 OD2 ASP A 26 4.177 -7.078 -9.636 1.00 0.00 O ATOM 0 H ASP A 26 5.812 -5.033 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 26 4.203 -7.442 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.008 -5.556 -7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.479 -6.505 -7.912 1.00 0.00 H new ATOM 439 N ILE A 27 5.890 -8.983 -4.988 1.00 0.00 N ATOM 440 CA ILE A 27 6.844 -10.031 -4.541 1.00 0.00 C ATOM 441 C ILE A 27 7.101 -11.046 -5.660 1.00 0.00 C ATOM 442 O ILE A 27 8.234 -11.324 -6.001 1.00 0.00 O ATOM 443 CB ILE A 27 6.232 -10.725 -3.328 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.763 -9.656 -2.332 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.257 -11.628 -2.649 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.292 -10.323 -1.035 1.00 0.00 C ATOM 0 H ILE A 27 4.965 -9.038 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 27 7.802 -9.580 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 27 5.392 -11.338 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.576 -8.962 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.951 -9.072 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.800 -12.113 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.597 -12.387 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.107 -11.030 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.960 -9.559 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.465 -10.999 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.115 -10.887 -0.596 1.00 0.00 H new ATOM 458 N ASN A 28 6.073 -11.607 -6.235 1.00 0.00 N ATOM 459 CA ASN A 28 6.284 -12.605 -7.328 1.00 0.00 C ATOM 460 C ASN A 28 6.471 -11.881 -8.663 1.00 0.00 C ATOM 461 O ASN A 28 6.470 -12.494 -9.711 1.00 0.00 O ATOM 462 CB ASN A 28 5.081 -13.545 -7.417 1.00 0.00 C ATOM 463 CG ASN A 28 4.819 -14.174 -6.047 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.873 -14.919 -5.880 1.00 0.00 O ATOM 465 ND2 ASN A 28 5.620 -13.905 -5.049 1.00 0.00 N ATOM 0 H ASN A 28 5.099 -11.420 -5.998 1.00 0.00 H new ATOM 0 HA ASN A 28 7.178 -13.189 -7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.201 -12.995 -7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.269 -14.324 -8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.450 -14.320 -4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.414 -13.280 -5.187 1.00 0.00 H new ATOM 472 N SER A 29 6.655 -10.587 -8.635 1.00 0.00 N ATOM 473 CA SER A 29 6.866 -9.830 -9.904 1.00 0.00 C ATOM 474 C SER A 29 5.876 -10.298 -10.975 1.00 0.00 C ATOM 475 O SER A 29 6.230 -10.489 -12.121 1.00 0.00 O ATOM 476 CB SER A 29 8.291 -10.062 -10.390 1.00 0.00 C ATOM 477 OG SER A 29 8.401 -9.667 -11.751 1.00 0.00 O ATOM 0 H SER A 29 6.668 -10.021 -7.787 1.00 0.00 H new ATOM 0 HA SER A 29 6.703 -8.768 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.992 -9.494 -9.778 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.555 -11.114 -10.284 1.00 0.00 H new ATOM 0 HG SER A 29 7.839 -10.247 -12.306 1.00 0.00 H new ATOM 483 N ASP A 30 4.633 -10.477 -10.616 1.00 0.00 N ATOM 484 CA ASP A 30 3.624 -10.924 -11.621 1.00 0.00 C ATOM 485 C ASP A 30 3.047 -9.694 -12.321 1.00 0.00 C ATOM 486 O ASP A 30 2.247 -9.796 -13.228 1.00 0.00 O ATOM 487 CB ASP A 30 2.499 -11.680 -10.910 1.00 0.00 C ATOM 488 CG ASP A 30 1.500 -12.202 -11.944 1.00 0.00 C ATOM 489 OD1 ASP A 30 1.776 -13.229 -12.540 1.00 0.00 O ATOM 490 OD2 ASP A 30 0.474 -11.564 -12.121 1.00 0.00 O ATOM 0 H ASP A 30 4.273 -10.334 -9.673 1.00 0.00 H new ATOM 0 HA ASP A 30 4.094 -11.581 -12.353 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.911 -12.510 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.995 -11.022 -10.202 1.00 0.00 H new ATOM 495 N GLY A 31 3.455 -8.530 -11.898 1.00 0.00 N ATOM 496 CA GLY A 31 2.943 -7.280 -12.524 1.00 0.00 C ATOM 497 C GLY A 31 1.542 -6.971 -11.990 1.00 0.00 C ATOM 498 O GLY A 31 0.945 -5.973 -12.347 1.00 0.00 O ATOM 0 H GLY A 31 4.125 -8.391 -11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.616 -6.451 -12.307 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.913 -7.391 -13.608 1.00 0.00 H new ATOM 502 N VAL A 32 1.018 -7.802 -11.116 1.00 0.00 N ATOM 503 CA VAL A 32 -0.339 -7.535 -10.534 1.00 0.00 C ATOM 504 C VAL A 32 -0.334 -7.952 -9.057 1.00 0.00 C ATOM 505 O VAL A 32 0.497 -8.734 -8.636 1.00 0.00 O ATOM 506 CB VAL A 32 -1.423 -8.318 -11.322 1.00 0.00 C ATOM 507 CG1 VAL A 32 -0.975 -8.501 -12.773 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.682 -9.698 -10.694 1.00 0.00 C ATOM 0 H VAL A 32 1.471 -8.652 -10.781 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.572 -6.473 -10.608 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.348 -7.742 -11.285 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.739 -9.051 -13.323 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.828 -7.524 -13.234 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.038 -9.058 -12.797 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.446 -10.222 -11.269 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.760 -10.280 -10.701 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.024 -9.572 -9.667 1.00 0.00 H new ATOM 518 N LEU A 33 -1.274 -7.472 -8.285 1.00 0.00 N ATOM 519 CA LEU A 33 -1.356 -7.880 -6.826 1.00 0.00 C ATOM 520 C LEU A 33 -2.643 -8.701 -6.640 1.00 0.00 C ATOM 521 O LEU A 33 -3.703 -8.314 -7.090 1.00 0.00 O ATOM 522 CB LEU A 33 -1.358 -6.639 -5.874 1.00 0.00 C ATOM 523 CG LEU A 33 0.062 -6.359 -5.329 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.124 -6.465 -6.448 1.00 0.00 C ATOM 525 CD2 LEU A 33 0.099 -4.945 -4.722 1.00 0.00 C ATOM 0 H LEU A 33 -1.993 -6.816 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.478 -8.472 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.725 -5.764 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.043 -6.814 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 33 0.293 -7.105 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.111 -6.263 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.107 -7.469 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.903 -5.738 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.098 -4.741 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.150 -4.213 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.625 -4.879 -3.910 1.00 0.00 H new ATOM 537 N ASP A 34 -2.550 -9.840 -5.993 1.00 0.00 N ATOM 538 CA ASP A 34 -3.760 -10.709 -5.785 1.00 0.00 C ATOM 539 C ASP A 34 -4.215 -10.630 -4.324 1.00 0.00 C ATOM 540 O ASP A 34 -3.575 -10.018 -3.492 1.00 0.00 O ATOM 541 CB ASP A 34 -3.419 -12.162 -6.147 1.00 0.00 C ATOM 542 CG ASP A 34 -2.398 -12.713 -5.150 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.805 -11.918 -4.439 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.226 -13.920 -5.115 1.00 0.00 O ATOM 0 H ASP A 34 -1.685 -10.209 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.568 -10.358 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.322 -12.772 -6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.017 -12.211 -7.159 1.00 0.00 H new ATOM 549 N GLU A 35 -5.326 -11.241 -4.014 1.00 0.00 N ATOM 550 CA GLU A 35 -5.852 -11.206 -2.615 1.00 0.00 C ATOM 551 C GLU A 35 -4.830 -11.816 -1.654 1.00 0.00 C ATOM 552 O GLU A 35 -4.990 -11.761 -0.453 1.00 0.00 O ATOM 553 CB GLU A 35 -7.154 -11.999 -2.540 1.00 0.00 C ATOM 554 CG GLU A 35 -8.289 -11.196 -3.182 1.00 0.00 C ATOM 555 CD GLU A 35 -9.571 -12.030 -3.172 1.00 0.00 C ATOM 556 OE1 GLU A 35 -9.545 -13.128 -3.703 1.00 0.00 O ATOM 557 OE2 GLU A 35 -10.558 -11.556 -2.633 1.00 0.00 O ATOM 0 H GLU A 35 -5.898 -11.768 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.036 -10.170 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.038 -12.955 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.396 -12.221 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.444 -10.265 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.025 -10.927 -4.205 1.00 0.00 H new ATOM 564 N GLN A 36 -3.785 -12.390 -2.164 1.00 0.00 N ATOM 565 CA GLN A 36 -2.756 -12.997 -1.272 1.00 0.00 C ATOM 566 C GLN A 36 -1.758 -11.929 -0.830 1.00 0.00 C ATOM 567 O GLN A 36 -1.330 -11.901 0.307 1.00 0.00 O ATOM 568 CB GLN A 36 -2.016 -14.101 -2.027 1.00 0.00 C ATOM 569 CG GLN A 36 -3.023 -15.138 -2.522 1.00 0.00 C ATOM 570 CD GLN A 36 -3.542 -15.959 -1.334 1.00 0.00 C ATOM 571 OE1 GLN A 36 -4.410 -16.794 -1.494 1.00 0.00 O ATOM 572 NE2 GLN A 36 -3.044 -15.758 -0.138 1.00 0.00 N ATOM 0 H GLN A 36 -3.594 -12.468 -3.163 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.246 -13.417 -0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.469 -13.677 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.281 -14.573 -1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.853 -14.642 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.554 -15.795 -3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.315 -15.058 -0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.385 -16.302 0.655 1.00 0.00 H new ATOM 581 N GLU A 37 -1.376 -11.053 -1.716 1.00 0.00 N ATOM 582 CA GLU A 37 -0.398 -9.999 -1.330 1.00 0.00 C ATOM 583 C GLU A 37 -1.049 -9.036 -0.331 1.00 0.00 C ATOM 584 O GLU A 37 -0.396 -8.521 0.552 1.00 0.00 O ATOM 585 CB GLU A 37 0.071 -9.243 -2.580 1.00 0.00 C ATOM 586 CG GLU A 37 1.058 -10.120 -3.359 1.00 0.00 C ATOM 587 CD GLU A 37 1.564 -9.362 -4.586 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.256 -8.373 -4.405 1.00 0.00 O ATOM 589 OE2 GLU A 37 1.256 -9.785 -5.688 1.00 0.00 O ATOM 0 H GLU A 37 -1.696 -11.021 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 37 0.469 -10.461 -0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.783 -8.990 -3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.547 -8.305 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.896 -10.397 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.572 -11.046 -3.667 1.00 0.00 H new ATOM 596 N LEU A 38 -2.331 -8.799 -0.446 1.00 0.00 N ATOM 597 CA LEU A 38 -3.009 -7.880 0.519 1.00 0.00 C ATOM 598 C LEU A 38 -3.313 -8.640 1.819 1.00 0.00 C ATOM 599 O LEU A 38 -3.183 -8.100 2.899 1.00 0.00 O ATOM 600 CB LEU A 38 -4.326 -7.340 -0.089 1.00 0.00 C ATOM 601 CG LEU A 38 -4.216 -7.193 -1.623 1.00 0.00 C ATOM 602 CD1 LEU A 38 -5.486 -6.519 -2.171 1.00 0.00 C ATOM 603 CD2 LEU A 38 -3.003 -6.333 -2.013 1.00 0.00 C ATOM 0 H LEU A 38 -2.936 -9.200 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.350 -7.038 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.146 -8.015 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.565 -6.374 0.355 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.097 -8.190 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.406 -6.417 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.356 -7.129 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.598 -5.533 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.952 -6.247 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.105 -5.340 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.091 -6.801 -1.642 1.00 0.00 H new ATOM 615 N GLU A 39 -3.702 -9.883 1.734 1.00 0.00 N ATOM 616 CA GLU A 39 -3.993 -10.649 2.982 1.00 0.00 C ATOM 617 C GLU A 39 -2.725 -10.692 3.842 1.00 0.00 C ATOM 618 O GLU A 39 -2.776 -10.551 5.049 1.00 0.00 O ATOM 619 CB GLU A 39 -4.439 -12.082 2.612 1.00 0.00 C ATOM 620 CG GLU A 39 -5.972 -12.174 2.597 1.00 0.00 C ATOM 621 CD GLU A 39 -6.540 -11.184 1.578 1.00 0.00 C ATOM 622 OE1 GLU A 39 -6.150 -10.029 1.620 1.00 0.00 O ATOM 623 OE2 GLU A 39 -7.357 -11.598 0.773 1.00 0.00 O ATOM 0 H GLU A 39 -3.830 -10.399 0.863 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.793 -10.167 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.042 -12.353 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.032 -12.794 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.282 -13.188 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.368 -11.957 3.589 1.00 0.00 H new ATOM 630 N ALA A 40 -1.593 -10.902 3.234 1.00 0.00 N ATOM 631 CA ALA A 40 -0.327 -10.973 4.013 1.00 0.00 C ATOM 632 C ALA A 40 0.114 -9.577 4.483 1.00 0.00 C ATOM 633 O ALA A 40 0.776 -9.438 5.492 1.00 0.00 O ATOM 634 CB ALA A 40 0.766 -11.575 3.143 1.00 0.00 C ATOM 0 H ALA A 40 -1.489 -11.028 2.227 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.499 -11.596 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.695 -11.628 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.473 -12.578 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.915 -10.951 2.262 1.00 0.00 H new ATOM 640 N LEU A 41 -0.220 -8.545 3.751 1.00 0.00 N ATOM 641 CA LEU A 41 0.216 -7.171 4.158 1.00 0.00 C ATOM 642 C LEU A 41 -0.648 -6.644 5.320 1.00 0.00 C ATOM 643 O LEU A 41 -0.206 -5.822 6.097 1.00 0.00 O ATOM 644 CB LEU A 41 0.120 -6.219 2.939 1.00 0.00 C ATOM 645 CG LEU A 41 1.316 -5.256 2.908 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.213 -4.359 1.671 1.00 0.00 C ATOM 647 CD2 LEU A 41 1.314 -4.389 4.173 1.00 0.00 C ATOM 0 H LEU A 41 -0.772 -8.591 2.894 1.00 0.00 H new ATOM 0 HA LEU A 41 1.249 -7.215 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.091 -6.801 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.809 -5.651 2.987 1.00 0.00 H new ATOM 0 HG LEU A 41 2.242 -5.829 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.061 -3.674 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.219 -4.976 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.286 -3.787 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.164 -3.707 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.389 -3.815 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.388 -5.029 5.053 1.00 0.00 H new ATOM 659 N PHE A 42 -1.869 -7.095 5.456 1.00 0.00 N ATOM 660 CA PHE A 42 -2.716 -6.586 6.583 1.00 0.00 C ATOM 661 C PHE A 42 -2.335 -7.329 7.865 1.00 0.00 C ATOM 662 O PHE A 42 -2.101 -6.728 8.896 1.00 0.00 O ATOM 663 CB PHE A 42 -4.217 -6.800 6.289 1.00 0.00 C ATOM 664 CG PHE A 42 -4.622 -6.113 4.984 1.00 0.00 C ATOM 665 CD1 PHE A 42 -4.327 -4.751 4.766 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.288 -6.842 3.981 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.687 -4.140 3.559 1.00 0.00 C ATOM 668 CE2 PHE A 42 -5.647 -6.223 2.781 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.344 -4.875 2.567 1.00 0.00 C ATOM 0 H PHE A 42 -2.313 -7.783 4.847 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.541 -5.516 6.699 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.430 -7.867 6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.813 -6.405 7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.823 -4.179 5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.523 -7.884 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.457 -3.098 3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.160 -6.787 2.016 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.617 -4.401 1.636 1.00 0.00 H new ATOM 679 N THR A 43 -2.270 -8.629 7.811 1.00 0.00 N ATOM 680 CA THR A 43 -1.908 -9.411 9.024 1.00 0.00 C ATOM 681 C THR A 43 -0.476 -9.080 9.462 1.00 0.00 C ATOM 682 O THR A 43 -0.180 -8.999 10.637 1.00 0.00 O ATOM 683 CB THR A 43 -2.007 -10.905 8.700 1.00 0.00 C ATOM 684 OG1 THR A 43 -3.361 -11.235 8.420 1.00 0.00 O ATOM 685 CG2 THR A 43 -1.517 -11.726 9.893 1.00 0.00 C ATOM 0 H THR A 43 -2.453 -9.185 6.976 1.00 0.00 H new ATOM 0 HA THR A 43 -2.592 -9.156 9.834 1.00 0.00 H new ATOM 0 HB THR A 43 -1.387 -11.130 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.428 -12.190 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.589 -12.788 9.658 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.479 -11.472 10.108 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.133 -11.505 10.765 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.180 -3.892 10.548 1.00 0.00 N ATOM 1058 CA ARG A 66 -7.988 -4.890 9.461 1.00 0.00 C ATOM 1059 C ARG A 66 -9.058 -4.655 8.387 1.00 0.00 C ATOM 1060 O ARG A 66 -8.806 -4.772 7.206 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.119 -6.313 10.050 1.00 0.00 C ATOM 1062 CG ARG A 66 -7.214 -7.290 9.286 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.622 -7.342 7.812 1.00 0.00 C ATOM 1064 NE ARG A 66 -7.106 -8.599 7.202 1.00 0.00 N ATOM 1065 CZ ARG A 66 -7.568 -9.006 6.051 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -8.479 -8.307 5.431 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -7.118 -10.109 5.520 1.00 0.00 N ATOM 0 HA ARG A 66 -6.999 -4.785 9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.847 -6.304 11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.156 -6.645 9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.173 -6.977 9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.286 -8.284 9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.707 -7.299 7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.224 -6.477 7.282 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.390 -9.143 7.684 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.829 -7.444 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.841 -8.624 4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.405 -10.654 6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.479 -10.427 4.621 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.249 -4.315 8.799 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.338 -4.061 7.815 1.00 0.00 C ATOM 1083 C LEU A 67 -11.170 -2.658 7.225 1.00 0.00 C ATOM 1084 O LEU A 67 -11.562 -2.397 6.104 1.00 0.00 O ATOM 1085 CB LEU A 67 -12.699 -4.155 8.515 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.852 -5.525 9.190 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -13.993 -5.467 10.208 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.167 -6.603 8.143 1.00 0.00 C ATOM 0 H LEU A 67 -10.515 -4.202 9.777 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.287 -4.805 7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.790 -3.363 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -13.500 -4.006 7.791 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.917 -5.776 9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.102 -6.440 10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.769 -4.713 10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.921 -5.207 9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.273 -7.569 8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.097 -6.353 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.356 -6.653 7.417 1.00 0.00 H new ATOM 1100 N ARG A 68 -10.597 -1.752 7.969 1.00 0.00 N ATOM 1101 CA ARG A 68 -10.414 -0.368 7.441 1.00 0.00 C ATOM 1102 C ARG A 68 -9.441 -0.392 6.255 1.00 0.00 C ATOM 1103 O ARG A 68 -9.610 0.333 5.294 1.00 0.00 O ATOM 1104 CB ARG A 68 -9.861 0.535 8.556 1.00 0.00 C ATOM 1105 CG ARG A 68 -9.840 2.013 8.101 1.00 0.00 C ATOM 1106 CD ARG A 68 -11.196 2.688 8.362 1.00 0.00 C ATOM 1107 NE ARG A 68 -11.038 4.165 8.241 1.00 0.00 N ATOM 1108 CZ ARG A 68 -12.091 4.927 8.124 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -13.282 4.394 8.111 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -11.953 6.220 8.019 1.00 0.00 N ATOM 0 H ARG A 68 -10.249 -1.908 8.915 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.374 0.024 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.475 0.433 9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.853 0.217 8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.054 2.550 8.632 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.601 2.067 7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.938 2.330 7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.559 2.429 9.356 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.106 4.580 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.389 3.383 8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.106 4.988 8.020 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.022 6.636 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.776 6.815 7.928 1.00 0.00 H new ATOM 1124 N MET A 69 -8.425 -1.215 6.306 1.00 0.00 N ATOM 1125 CA MET A 69 -7.454 -1.274 5.171 1.00 0.00 C ATOM 1126 C MET A 69 -7.975 -2.232 4.096 1.00 0.00 C ATOM 1127 O MET A 69 -7.818 -1.995 2.916 1.00 0.00 O ATOM 1128 CB MET A 69 -6.081 -1.763 5.665 1.00 0.00 C ATOM 1129 CG MET A 69 -5.717 -1.110 7.006 1.00 0.00 C ATOM 1130 SD MET A 69 -3.922 -1.197 7.237 1.00 0.00 S ATOM 1131 CE MET A 69 -3.875 -0.617 8.952 1.00 0.00 C ATOM 0 H MET A 69 -8.226 -1.847 7.082 1.00 0.00 H new ATOM 0 HA MET A 69 -7.346 -0.273 4.752 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.095 -2.847 5.776 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.318 -1.528 4.923 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.049 -0.072 7.021 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.227 -1.620 7.824 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.842 -0.594 9.300 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.300 0.385 9.009 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.455 -1.293 9.581 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.583 -3.315 4.488 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.095 -4.284 3.477 1.00 0.00 C ATOM 1143 C ARG A 70 -10.231 -3.656 2.663 1.00 0.00 C ATOM 1144 O ARG A 70 -10.220 -3.680 1.447 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.606 -5.538 4.197 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.962 -6.630 3.170 1.00 0.00 C ATOM 1147 CD ARG A 70 -11.294 -6.318 2.446 1.00 0.00 C ATOM 1148 NE ARG A 70 -12.079 -7.581 2.274 1.00 0.00 N ATOM 1149 CZ ARG A 70 -11.518 -8.670 1.812 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.300 -8.641 1.347 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -12.201 -9.780 1.770 1.00 0.00 N ATOM 0 H ARG A 70 -8.748 -3.572 5.461 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.287 -4.552 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.845 -5.908 4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.483 -5.291 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.160 -6.716 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.038 -7.594 3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.872 -5.594 3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.094 -5.867 1.474 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.069 -7.593 2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.777 -7.765 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.870 -9.494 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.167 -9.797 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.769 -10.631 1.411 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.220 -3.115 3.318 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.367 -2.512 2.577 1.00 0.00 C ATOM 1167 C GLU A 71 -11.940 -1.228 1.858 1.00 0.00 C ATOM 1168 O GLU A 71 -12.186 -1.057 0.681 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.488 -2.185 3.564 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.030 -3.481 4.173 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.140 -3.151 5.171 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -14.824 -2.631 6.229 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -16.289 -3.423 4.861 1.00 0.00 O ATOM 0 H GLU A 71 -11.285 -3.063 4.335 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.714 -3.229 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.114 -1.530 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.289 -1.647 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.415 -4.131 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.227 -4.024 4.672 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.323 -0.314 2.553 1.00 0.00 N ATOM 1181 CA HIS A 72 -10.912 0.964 1.903 1.00 0.00 C ATOM 1182 C HIS A 72 -10.032 0.685 0.676 1.00 0.00 C ATOM 1183 O HIS A 72 -10.180 1.316 -0.351 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.145 1.832 2.910 1.00 0.00 C ATOM 1185 CG HIS A 72 -9.859 3.176 2.297 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -8.863 3.359 1.351 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -10.429 4.411 2.486 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -8.864 4.661 1.009 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -9.799 5.346 1.672 1.00 0.00 N ATOM 0 H HIS A 72 -11.085 -0.395 3.542 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.806 1.494 1.575 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.730 1.953 3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.213 1.343 3.192 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -8.243 2.639 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.243 4.624 3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.191 5.098 0.287 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.114 -0.243 0.762 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.244 -0.523 -0.422 1.00 0.00 C ATOM 1199 C VAL A 73 -9.049 -1.260 -1.494 1.00 0.00 C ATOM 1200 O VAL A 73 -9.100 -0.847 -2.636 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.043 -1.386 -0.006 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.272 -1.821 -1.257 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.125 -0.577 0.912 1.00 0.00 C ATOM 0 H VAL A 73 -8.930 -0.812 1.588 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.883 0.424 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.395 -2.269 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.419 -2.434 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.929 -2.400 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.919 -0.939 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.273 -1.190 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.770 0.308 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.677 -0.271 1.801 1.00 0.00 H new ATOM 1213 N MET A 74 -9.665 -2.354 -1.149 1.00 0.00 N ATOM 1214 CA MET A 74 -10.443 -3.114 -2.164 1.00 0.00 C ATOM 1215 C MET A 74 -11.639 -2.286 -2.645 1.00 0.00 C ATOM 1216 O MET A 74 -12.196 -2.550 -3.689 1.00 0.00 O ATOM 1217 CB MET A 74 -10.934 -4.435 -1.563 1.00 0.00 C ATOM 1218 CG MET A 74 -9.756 -5.407 -1.413 1.00 0.00 C ATOM 1219 SD MET A 74 -10.387 -7.071 -1.069 1.00 0.00 S ATOM 1220 CE MET A 74 -10.350 -7.696 -2.769 1.00 0.00 C ATOM 0 H MET A 74 -9.664 -2.754 -0.211 1.00 0.00 H new ATOM 0 HA MET A 74 -9.796 -3.326 -3.015 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.394 -4.254 -0.592 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.700 -4.874 -2.202 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.158 -5.414 -2.324 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.101 -5.080 -0.605 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.706 -8.726 -2.786 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.993 -7.079 -3.397 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.329 -7.659 -3.148 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.053 -1.296 -1.899 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.225 -0.472 -2.332 1.00 0.00 C ATOM 1232 C LYS A 75 -12.746 0.781 -3.081 1.00 0.00 C ATOM 1233 O LYS A 75 -13.416 1.274 -3.966 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.023 -0.048 -1.096 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.350 0.585 -1.536 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.229 0.908 -0.305 1.00 0.00 C ATOM 1237 CE LYS A 75 -15.977 2.336 0.175 1.00 0.00 C ATOM 1238 NZ LYS A 75 -16.264 3.293 -0.931 1.00 0.00 N ATOM 0 H LYS A 75 -11.633 -1.021 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.852 -1.065 -2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.213 -0.912 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.447 0.664 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.155 1.497 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.881 -0.095 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.281 0.785 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.011 0.205 0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.609 2.558 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.943 2.443 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.685 4.160 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.379 3.530 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.928 2.858 -1.603 1.00 0.00 H new ATOM 1252 N ASN A 76 -11.608 1.315 -2.714 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.101 2.558 -3.381 1.00 0.00 C ATOM 1254 C ASN A 76 -10.021 2.243 -4.431 1.00 0.00 C ATOM 1255 O ASN A 76 -9.639 3.124 -5.176 1.00 0.00 O ATOM 1256 CB ASN A 76 -10.531 3.511 -2.324 1.00 0.00 C ATOM 1257 CG ASN A 76 -11.518 3.624 -1.159 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -11.118 3.713 -0.016 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -12.800 3.626 -1.405 1.00 0.00 N ATOM 0 H ASN A 76 -11.005 0.944 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.939 3.028 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.569 3.143 -1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.353 4.493 -2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.467 3.702 -0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.135 3.551 -2.365 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.529 1.024 -4.526 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.482 0.722 -5.571 1.00 0.00 C ATOM 1268 C VAL A 77 -9.008 -0.312 -6.569 1.00 0.00 C ATOM 1269 O VAL A 77 -8.752 -0.209 -7.747 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.201 0.201 -4.918 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.209 -0.213 -6.017 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.578 1.321 -4.078 1.00 0.00 C ATOM 0 H VAL A 77 -9.800 0.236 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.256 1.648 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.430 -0.656 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.293 -0.586 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.652 -0.997 -6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.977 0.650 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.664 0.958 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.344 2.170 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.283 1.633 -3.307 1.00 0.00 H new ATOM 1282 N ASP A 78 -9.754 -1.294 -6.133 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.290 -2.295 -7.110 1.00 0.00 C ATOM 1284 C ASP A 78 -10.938 -1.553 -8.276 1.00 0.00 C ATOM 1285 O ASP A 78 -11.934 -0.875 -8.118 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.339 -3.173 -6.437 1.00 0.00 C ATOM 1287 CG ASP A 78 -10.679 -4.018 -5.349 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -9.461 -4.047 -5.306 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -11.404 -4.624 -4.577 1.00 0.00 O ATOM 0 H ASP A 78 -10.014 -1.447 -5.159 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.473 -2.921 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.123 -2.552 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.815 -3.819 -7.175 1.00 0.00 H new ATOM 1294 N THR A 79 -10.358 -1.643 -9.440 1.00 0.00 N ATOM 1295 CA THR A 79 -10.905 -0.909 -10.615 1.00 0.00 C ATOM 1296 C THR A 79 -11.971 -1.755 -11.326 1.00 0.00 C ATOM 1297 O THR A 79 -13.107 -1.344 -11.450 1.00 0.00 O ATOM 1298 CB THR A 79 -9.759 -0.550 -11.598 1.00 0.00 C ATOM 1299 OG1 THR A 79 -9.937 -1.250 -12.821 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.368 -0.897 -11.004 1.00 0.00 C ATOM 0 H THR A 79 -9.523 -2.197 -9.629 1.00 0.00 H new ATOM 0 HA THR A 79 -11.372 0.012 -10.266 1.00 0.00 H new ATOM 0 HB THR A 79 -9.796 0.525 -11.774 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.063 -0.608 -13.550 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.590 -0.632 -11.720 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.217 -0.338 -10.081 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.319 -1.965 -10.793 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.618 -2.921 -11.790 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.620 -3.797 -12.499 1.00 0.00 C ATOM 1310 C ASN A 80 -13.070 -4.918 -11.561 1.00 0.00 C ATOM 1311 O ASN A 80 -13.517 -5.963 -11.991 1.00 0.00 O ATOM 1312 CB ASN A 80 -12.004 -4.395 -13.768 1.00 0.00 C ATOM 1313 CG ASN A 80 -13.068 -5.189 -14.529 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -12.751 -5.937 -15.433 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -14.326 -5.060 -14.204 1.00 0.00 N ATOM 0 H ASN A 80 -10.680 -3.314 -11.714 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.481 -3.192 -12.784 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.606 -3.601 -14.400 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.168 -5.044 -13.508 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.040 -5.586 -14.708 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.595 -4.433 -13.446 1.00 0.00 H new ATOM 1322 N GLN A 81 -12.982 -4.676 -10.284 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.422 -5.672 -9.261 1.00 0.00 C ATOM 1324 C GLN A 81 -13.157 -7.116 -9.708 1.00 0.00 C ATOM 1325 O GLN A 81 -14.012 -7.973 -9.599 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.918 -5.486 -8.987 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.140 -4.213 -8.164 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.761 -4.469 -6.703 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -14.962 -3.624 -5.853 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -14.214 -5.608 -6.373 1.00 0.00 N ATOM 0 H GLN A 81 -12.614 -3.808 -9.894 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.843 -5.498 -8.354 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.464 -5.422 -9.928 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.309 -6.350 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.539 -3.398 -8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.183 -3.903 -8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.045 -6.318 -7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.956 -5.788 -5.403 1.00 0.00 H new ATOM 1339 N ASP A 82 -11.976 -7.396 -10.179 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.638 -8.790 -10.601 1.00 0.00 C ATOM 1341 C ASP A 82 -10.846 -9.447 -9.472 1.00 0.00 C ATOM 1342 O ASP A 82 -10.188 -10.452 -9.652 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.776 -8.743 -11.864 1.00 0.00 C ATOM 1344 CG ASP A 82 -9.598 -7.792 -11.646 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -9.817 -6.723 -11.102 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -8.496 -8.151 -12.025 1.00 0.00 O ATOM 0 H ASP A 82 -11.223 -6.718 -10.292 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.546 -9.356 -10.809 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.411 -9.741 -12.105 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.374 -8.409 -12.712 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.887 -8.849 -8.310 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.124 -9.378 -7.145 1.00 0.00 C ATOM 1353 C ARG A 83 -8.633 -9.315 -7.481 1.00 0.00 C ATOM 1354 O ARG A 83 -7.781 -9.634 -6.675 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.538 -10.822 -6.836 1.00 0.00 C ATOM 1356 CG ARG A 83 -12.069 -10.958 -6.948 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.532 -12.218 -6.210 1.00 0.00 C ATOM 1358 NE ARG A 83 -11.597 -13.357 -6.493 1.00 0.00 N ATOM 1359 CZ ARG A 83 -11.340 -13.745 -7.714 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -12.023 -13.268 -8.718 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -10.431 -14.657 -7.926 1.00 0.00 N ATOM 0 H ARG A 83 -11.425 -8.004 -8.118 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.337 -8.776 -6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.051 -11.507 -7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.211 -11.098 -5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.554 -10.078 -6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.363 -11.010 -7.996 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.570 -12.027 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.542 -12.481 -6.523 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.151 -13.840 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.764 -12.587 -8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.816 -13.576 -9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.924 -15.064 -7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.227 -14.963 -8.878 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.325 -8.891 -8.679 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.913 -8.770 -9.135 1.00 0.00 C ATOM 1377 C LEU A 84 -6.723 -7.333 -9.625 1.00 0.00 C ATOM 1378 O LEU A 84 -7.560 -6.794 -10.322 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.677 -9.765 -10.297 1.00 0.00 C ATOM 1380 CG LEU A 84 -5.951 -11.038 -9.801 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -6.873 -11.871 -8.897 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.542 -11.877 -11.019 1.00 0.00 C ATOM 0 H LEU A 84 -9.015 -8.617 -9.378 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.209 -8.995 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.632 -10.039 -10.745 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.085 -9.285 -11.076 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.072 -10.747 -9.225 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.343 -12.762 -8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.170 -11.276 -8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.760 -12.167 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.029 -12.778 -10.684 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.431 -12.155 -11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.875 -11.295 -11.655 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.641 -6.708 -9.251 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.392 -5.289 -9.671 1.00 0.00 C ATOM 1396 C VAL A 85 -4.200 -5.238 -10.622 1.00 0.00 C ATOM 1397 O VAL A 85 -3.147 -5.768 -10.328 1.00 0.00 O ATOM 1398 CB VAL A 85 -5.075 -4.459 -8.423 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.662 -3.044 -8.847 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.323 -4.390 -7.536 1.00 0.00 C ATOM 0 H VAL A 85 -4.911 -7.117 -8.669 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.273 -4.892 -10.176 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.259 -4.921 -7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.436 -2.450 -7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.779 -3.098 -9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.478 -2.577 -9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.104 -3.801 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.137 -3.923 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.616 -5.398 -7.241 1.00 0.00 H new ATOM 1410 N THR A 86 -4.343 -4.594 -11.752 1.00 0.00 N ATOM 1411 CA THR A 86 -3.197 -4.505 -12.710 1.00 0.00 C ATOM 1412 C THR A 86 -2.493 -3.159 -12.526 1.00 0.00 C ATOM 1413 O THR A 86 -3.034 -2.239 -11.947 1.00 0.00 O ATOM 1414 CB THR A 86 -3.703 -4.635 -14.139 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.668 -3.626 -14.402 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.329 -6.015 -14.332 1.00 0.00 C ATOM 0 H THR A 86 -5.199 -4.128 -12.053 1.00 0.00 H new ATOM 0 HA THR A 86 -2.494 -5.314 -12.513 1.00 0.00 H new ATOM 0 HB THR A 86 -2.869 -4.516 -14.831 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.521 -4.044 -14.644 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.692 -6.110 -15.355 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.581 -6.784 -14.140 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.161 -6.137 -13.639 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.293 -3.037 -13.018 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.558 -1.749 -12.874 1.00 0.00 C ATOM 1426 C LEU A 87 -1.293 -0.681 -13.686 1.00 0.00 C ATOM 1427 O LEU A 87 -1.416 0.454 -13.279 1.00 0.00 O ATOM 1428 CB LEU A 87 0.889 -1.947 -13.393 1.00 0.00 C ATOM 1429 CG LEU A 87 1.677 -0.615 -13.529 1.00 0.00 C ATOM 1430 CD1 LEU A 87 1.179 0.230 -14.721 1.00 0.00 C ATOM 1431 CD2 LEU A 87 1.601 0.191 -12.221 1.00 0.00 C ATOM 0 H LEU A 87 -0.789 -3.772 -13.513 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.514 -1.431 -11.832 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.424 -2.611 -12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.856 -2.443 -14.363 1.00 0.00 H new ATOM 0 HG LEU A 87 2.719 -0.869 -13.725 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.757 1.152 -14.780 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.303 -0.335 -15.645 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.125 0.470 -14.581 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.158 1.121 -12.334 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.559 0.417 -11.993 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.031 -0.394 -11.408 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.791 -1.047 -14.830 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.518 -0.074 -15.698 1.00 0.00 C ATOM 1445 C GLU A 88 -3.733 0.519 -14.979 1.00 0.00 C ATOM 1446 O GLU A 88 -3.764 1.691 -14.653 1.00 0.00 O ATOM 1447 CB GLU A 88 -2.998 -0.803 -16.955 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.796 -1.416 -17.679 1.00 0.00 C ATOM 1449 CD GLU A 88 -0.904 -0.301 -18.225 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -1.433 0.602 -18.853 1.00 0.00 O ATOM 1451 OE2 GLU A 88 0.295 -0.368 -18.006 1.00 0.00 O ATOM 0 H GLU A 88 -1.726 -1.992 -15.209 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.837 0.739 -15.950 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.711 -1.583 -16.686 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.518 -0.109 -17.615 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.229 -2.047 -16.994 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.136 -2.055 -18.494 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.744 -0.268 -14.754 1.00 0.00 N ATOM 1459 CA GLU A 89 -5.965 0.266 -14.088 1.00 0.00 C ATOM 1460 C GLU A 89 -5.607 0.874 -12.724 1.00 0.00 C ATOM 1461 O GLU A 89 -6.255 1.792 -12.259 1.00 0.00 O ATOM 1462 CB GLU A 89 -6.997 -0.858 -13.910 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.127 -1.659 -15.207 1.00 0.00 C ATOM 1464 CD GLU A 89 -7.499 -0.716 -16.353 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -8.459 0.020 -16.198 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.819 -0.747 -17.365 1.00 0.00 O ATOM 0 H GLU A 89 -4.780 -1.257 -15.001 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.394 1.048 -14.715 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.694 -1.516 -13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.964 -0.435 -13.635 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.188 -2.166 -15.429 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.888 -2.431 -15.095 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.592 0.369 -12.074 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.217 0.920 -10.741 1.00 0.00 C ATOM 1475 C PHE A 90 -3.827 2.402 -10.873 1.00 0.00 C ATOM 1476 O PHE A 90 -4.334 3.251 -10.166 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.047 0.113 -10.179 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.447 0.830 -8.990 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.072 0.760 -7.740 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.270 1.573 -9.143 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.522 1.430 -6.642 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.720 2.245 -8.046 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.345 2.174 -6.795 1.00 0.00 C ATOM 0 H PHE A 90 -4.009 -0.398 -12.408 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.067 0.847 -10.063 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.388 -0.879 -9.882 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.289 -0.028 -10.949 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.980 0.188 -7.623 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.787 1.627 -10.107 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.004 1.374 -5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.187 2.819 -8.164 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.920 2.693 -5.948 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.943 2.722 -11.779 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.543 4.148 -11.957 1.00 0.00 C ATOM 1495 C LEU A 91 -3.793 5.004 -12.150 1.00 0.00 C ATOM 1496 O LEU A 91 -3.928 6.060 -11.564 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.637 4.280 -13.192 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.299 3.547 -12.943 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.572 3.632 -14.203 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.459 4.177 -11.754 1.00 0.00 C ATOM 0 H LEU A 91 -2.481 2.060 -12.402 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.001 4.486 -11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.135 3.860 -14.066 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.451 5.332 -13.407 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.514 2.505 -12.707 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.516 3.115 -14.028 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.051 3.163 -15.038 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.769 4.678 -14.439 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.397 3.645 -11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.668 5.225 -11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.152 4.107 -10.854 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.711 4.562 -12.968 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.953 5.358 -13.194 1.00 0.00 C ATOM 1514 C ALA A 92 -6.529 5.820 -11.850 1.00 0.00 C ATOM 1515 O ALA A 92 -6.841 6.979 -11.663 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.985 4.490 -13.920 1.00 0.00 C ATOM 0 H ALA A 92 -4.655 3.686 -13.488 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.715 6.232 -13.800 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.894 5.068 -14.087 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.579 4.167 -14.879 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.218 3.616 -13.312 1.00 0.00 H new ATOM 1522 N SER A 93 -6.676 4.920 -10.916 1.00 0.00 N ATOM 1523 CA SER A 93 -7.234 5.301 -9.587 1.00 0.00 C ATOM 1524 C SER A 93 -6.339 6.349 -8.919 1.00 0.00 C ATOM 1525 O SER A 93 -6.790 7.130 -8.103 1.00 0.00 O ATOM 1526 CB SER A 93 -7.303 4.061 -8.696 1.00 0.00 C ATOM 1527 OG SER A 93 -8.089 3.065 -9.339 1.00 0.00 O ATOM 0 H SER A 93 -6.433 3.934 -11.016 1.00 0.00 H new ATOM 0 HA SER A 93 -8.231 5.719 -9.726 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.300 3.681 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.738 4.317 -7.730 1.00 0.00 H new ATOM 0 HG SER A 93 -8.134 2.267 -8.772 1.00 0.00 H new ATOM 1533 N THR A 94 -5.071 6.371 -9.252 1.00 0.00 N ATOM 1534 CA THR A 94 -4.137 7.364 -8.629 1.00 0.00 C ATOM 1535 C THR A 94 -3.863 8.512 -9.606 1.00 0.00 C ATOM 1536 O THR A 94 -4.190 9.653 -9.344 1.00 0.00 O ATOM 1537 CB THR A 94 -2.817 6.669 -8.287 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.109 6.384 -9.485 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.103 5.366 -7.539 1.00 0.00 C ATOM 0 H THR A 94 -4.641 5.743 -9.930 1.00 0.00 H new ATOM 0 HA THR A 94 -4.593 7.765 -7.724 1.00 0.00 H new ATOM 0 HB THR A 94 -2.215 7.323 -7.656 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.744 6.283 -10.224 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.162 4.872 -7.296 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.646 5.586 -6.620 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.705 4.710 -8.168 1.00 0.00 H new