USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=7 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 79 THR OG1 : rot 114:sc= -1.45 USER MOD Set 1.2: A 80 ASN : amide:sc= -4.25! K(o=-5.7!,f=-1.8) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.167 K(o=0.98,f=-5.3!) USER MOD Set 2.2: A 20 THR OG1 : rot 108:sc= 0.813 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-12!) USER MOD Single : A 28 ASN : amide:sc= -4.23! K(o=-4.2!,f=-1.6) USER MOD Single : A 29 SER OG : rot 70:sc= 0.863 USER MOD Single : A 36 GLN : amide:sc= -6.93! C(o=-6.9!,f=-4.6!) 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 72 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -14.4! C(o=-14!,f=-4!) USER MOD Single : A 81 GLN : amide:sc= -5.27! C(o=-5.3!,f=-3.7!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -41:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 268 N ASN A 17 7.030 8.996 -6.713 1.00 0.00 N ATOM 269 CA ASN A 17 7.351 7.832 -7.586 1.00 0.00 C ATOM 270 C ASN A 17 6.567 6.599 -7.113 1.00 0.00 C ATOM 271 O ASN A 17 7.154 5.662 -6.608 1.00 0.00 O ATOM 272 CB ASN A 17 8.850 7.537 -7.504 1.00 0.00 C ATOM 273 CG ASN A 17 9.233 6.527 -8.586 1.00 0.00 C ATOM 274 OD1 ASN A 17 10.019 5.632 -8.348 1.00 0.00 O ATOM 275 ND2 ASN A 17 8.706 6.632 -9.776 1.00 0.00 N ATOM 0 HA ASN A 17 7.075 8.065 -8.615 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.420 8.457 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.100 7.143 -6.519 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.954 5.963 -10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.046 7.383 -9.977 1.00 0.00 H new ATOM 282 N PRO A 18 5.260 6.626 -7.281 1.00 0.00 N ATOM 283 CA PRO A 18 4.407 5.500 -6.856 1.00 0.00 C ATOM 284 C PRO A 18 4.758 4.242 -7.668 1.00 0.00 C ATOM 285 O PRO A 18 4.491 3.131 -7.259 1.00 0.00 O ATOM 286 CB PRO A 18 2.957 5.972 -7.131 1.00 0.00 C ATOM 287 CG PRO A 18 3.041 7.384 -7.784 1.00 0.00 C ATOM 288 CD PRO A 18 4.537 7.762 -7.891 1.00 0.00 C ATOM 0 HA PRO A 18 4.543 5.236 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.445 5.273 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.384 6.011 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.576 7.378 -8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.503 8.117 -7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.834 7.908 -8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.748 8.693 -7.365 1.00 0.00 H new ATOM 296 N LYS A 19 5.350 4.414 -8.818 1.00 0.00 N ATOM 297 CA LYS A 19 5.713 3.240 -9.662 1.00 0.00 C ATOM 298 C LYS A 19 6.644 2.287 -8.899 1.00 0.00 C ATOM 299 O LYS A 19 6.559 1.082 -9.045 1.00 0.00 O ATOM 300 CB LYS A 19 6.427 3.731 -10.922 1.00 0.00 C ATOM 301 CG LYS A 19 6.716 2.541 -11.842 1.00 0.00 C ATOM 302 CD LYS A 19 7.081 3.048 -13.239 1.00 0.00 C ATOM 303 CE LYS A 19 7.593 1.882 -14.086 1.00 0.00 C ATOM 304 NZ LYS A 19 7.803 2.341 -15.488 1.00 0.00 N ATOM 0 H LYS A 19 5.599 5.322 -9.211 1.00 0.00 H new ATOM 0 HA LYS A 19 4.801 2.704 -9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.809 4.464 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.357 4.231 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.533 1.945 -11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.843 1.891 -11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.210 3.501 -13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.844 3.823 -13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.527 1.501 -13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.877 1.061 -14.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.151 1.548 -16.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.903 2.684 -15.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.502 3.111 -15.500 1.00 0.00 H new ATOM 318 N THR A 20 7.548 2.802 -8.108 1.00 0.00 N ATOM 319 CA THR A 20 8.483 1.907 -7.382 1.00 0.00 C ATOM 320 C THR A 20 7.750 1.153 -6.267 1.00 0.00 C ATOM 321 O THR A 20 7.976 -0.022 -6.056 1.00 0.00 O ATOM 322 CB THR A 20 9.620 2.741 -6.791 1.00 0.00 C ATOM 323 OG1 THR A 20 10.382 3.318 -7.841 1.00 0.00 O ATOM 324 CG2 THR A 20 10.513 1.843 -5.945 1.00 0.00 C ATOM 0 H THR A 20 7.676 3.799 -7.937 1.00 0.00 H new ATOM 0 HA THR A 20 8.890 1.174 -8.079 1.00 0.00 H new ATOM 0 HB THR A 20 9.207 3.535 -6.169 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.207 4.281 -7.881 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.326 2.433 -5.521 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.926 1.402 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.927 1.050 -6.568 1.00 0.00 H new ATOM 332 N PHE A 21 6.875 1.805 -5.553 1.00 0.00 N ATOM 333 CA PHE A 21 6.147 1.095 -4.462 1.00 0.00 C ATOM 334 C PHE A 21 5.453 -0.131 -5.075 1.00 0.00 C ATOM 335 O PHE A 21 5.345 -1.172 -4.458 1.00 0.00 O ATOM 336 CB PHE A 21 5.124 2.072 -3.807 1.00 0.00 C ATOM 337 CG PHE A 21 3.744 1.448 -3.696 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.893 1.443 -4.807 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.324 0.876 -2.490 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.622 0.866 -4.715 1.00 0.00 C ATOM 341 CE2 PHE A 21 2.053 0.297 -2.396 1.00 0.00 C ATOM 342 CZ PHE A 21 1.201 0.292 -3.509 1.00 0.00 C ATOM 0 H PHE A 21 6.633 2.788 -5.675 1.00 0.00 H new ATOM 0 HA PHE A 21 6.829 0.760 -3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.476 2.356 -2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.064 2.986 -4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.218 1.885 -5.737 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.980 0.881 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.966 0.863 -5.573 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.729 -0.146 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.220 -0.154 -3.437 1.00 0.00 H new ATOM 352 N PHE A 22 4.989 -0.008 -6.286 1.00 0.00 N ATOM 353 CA PHE A 22 4.309 -1.155 -6.946 1.00 0.00 C ATOM 354 C PHE A 22 5.336 -2.260 -7.225 1.00 0.00 C ATOM 355 O PHE A 22 5.028 -3.438 -7.169 1.00 0.00 O ATOM 356 CB PHE A 22 3.674 -0.671 -8.256 1.00 0.00 C ATOM 357 CG PHE A 22 2.657 -1.676 -8.745 1.00 0.00 C ATOM 358 CD1 PHE A 22 3.064 -2.750 -9.544 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.307 -1.525 -8.405 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.120 -3.675 -10.004 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.363 -2.450 -8.865 1.00 0.00 C ATOM 362 CZ PHE A 22 0.769 -3.527 -9.664 1.00 0.00 C ATOM 0 H PHE A 22 5.052 0.840 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 22 3.529 -1.556 -6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.195 0.296 -8.101 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.446 -0.527 -9.012 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.106 -2.865 -9.805 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.995 -0.695 -7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.433 -4.504 -10.622 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.679 -2.334 -8.604 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.041 -4.242 -10.017 1.00 0.00 H new ATOM 372 N ILE A 23 6.560 -1.899 -7.512 1.00 0.00 N ATOM 373 CA ILE A 23 7.583 -2.936 -7.779 1.00 0.00 C ATOM 374 C ILE A 23 7.963 -3.611 -6.461 1.00 0.00 C ATOM 375 O ILE A 23 7.782 -4.796 -6.289 1.00 0.00 O ATOM 376 CB ILE A 23 8.811 -2.280 -8.407 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.436 -1.725 -9.786 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.917 -3.321 -8.555 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.592 -0.892 -10.347 1.00 0.00 C ATOM 0 H ILE A 23 6.888 -0.935 -7.571 1.00 0.00 H new ATOM 0 HA ILE A 23 7.189 -3.685 -8.466 1.00 0.00 H new ATOM 0 HB ILE A 23 9.162 -1.467 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.204 -2.545 -10.466 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.539 -1.111 -9.708 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.796 -2.857 -9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.177 -3.718 -7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.570 -4.133 -9.194 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.317 -0.502 -11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.804 -0.063 -9.672 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.479 -1.518 -10.442 1.00 0.00 H new ATOM 391 N LEU A 24 8.492 -2.872 -5.526 1.00 0.00 N ATOM 392 CA LEU A 24 8.887 -3.492 -4.222 1.00 0.00 C ATOM 393 C LEU A 24 7.779 -4.451 -3.712 1.00 0.00 C ATOM 394 O LEU A 24 8.065 -5.395 -3.005 1.00 0.00 O ATOM 395 CB LEU A 24 9.146 -2.372 -3.185 1.00 0.00 C ATOM 396 CG LEU A 24 10.301 -2.744 -2.232 1.00 0.00 C ATOM 397 CD1 LEU A 24 10.006 -4.083 -1.549 1.00 0.00 C ATOM 398 CD2 LEU A 24 11.638 -2.827 -3.004 1.00 0.00 C ATOM 0 H LEU A 24 8.669 -1.870 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 24 9.797 -4.075 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.384 -1.443 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.239 -2.192 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 24 10.387 -1.967 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.826 -4.338 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.081 -4.004 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.900 -4.861 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.440 -3.090 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.563 -3.588 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.855 -1.862 -3.461 1.00 0.00 H new ATOM 410 N HIS A 25 6.527 -4.238 -4.055 1.00 0.00 N ATOM 411 CA HIS A 25 5.458 -5.162 -3.567 1.00 0.00 C ATOM 412 C HIS A 25 5.253 -6.312 -4.562 1.00 0.00 C ATOM 413 O HIS A 25 4.621 -7.302 -4.248 1.00 0.00 O ATOM 414 CB HIS A 25 4.147 -4.388 -3.415 1.00 0.00 C ATOM 415 CG HIS A 25 4.356 -3.223 -2.488 1.00 0.00 C ATOM 416 ND1 HIS A 25 5.607 -2.669 -2.265 1.00 0.00 N ATOM 417 CD2 HIS A 25 3.482 -2.495 -1.718 1.00 0.00 C ATOM 418 CE1 HIS A 25 5.453 -1.656 -1.393 1.00 0.00 C ATOM 419 NE2 HIS A 25 4.177 -1.506 -1.027 1.00 0.00 N ATOM 0 H HIS A 25 6.205 -3.471 -4.646 1.00 0.00 H new ATOM 0 HA HIS A 25 5.761 -5.574 -2.604 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.806 -4.035 -4.388 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.369 -5.043 -3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.417 -2.664 -1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.263 -1.039 -1.033 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.794 -0.816 -0.381 1.00 0.00 H new ATOM 427 N ASP A 26 5.779 -6.204 -5.755 1.00 0.00 N ATOM 428 CA ASP A 26 5.599 -7.311 -6.743 1.00 0.00 C ATOM 429 C ASP A 26 6.504 -8.497 -6.359 1.00 0.00 C ATOM 430 O ASP A 26 7.394 -8.894 -7.085 1.00 0.00 O ATOM 431 CB ASP A 26 5.920 -6.796 -8.156 1.00 0.00 C ATOM 432 CG ASP A 26 7.434 -6.653 -8.367 1.00 0.00 C ATOM 433 OD1 ASP A 26 8.169 -6.763 -7.401 1.00 0.00 O ATOM 434 OD2 ASP A 26 7.832 -6.433 -9.499 1.00 0.00 O ATOM 0 H ASP A 26 6.320 -5.405 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 26 4.565 -7.656 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.511 -7.482 -8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.436 -5.832 -8.313 1.00 0.00 H new ATOM 439 N ILE A 27 6.273 -9.067 -5.207 1.00 0.00 N ATOM 440 CA ILE A 27 7.102 -10.207 -4.738 1.00 0.00 C ATOM 441 C ILE A 27 7.241 -11.273 -5.834 1.00 0.00 C ATOM 442 O ILE A 27 8.334 -11.691 -6.159 1.00 0.00 O ATOM 443 CB ILE A 27 6.427 -10.818 -3.507 1.00 0.00 C ATOM 444 CG1 ILE A 27 6.228 -9.733 -2.440 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.309 -11.923 -2.935 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.464 -10.312 -1.246 1.00 0.00 C ATOM 0 H ILE A 27 5.533 -8.784 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 27 8.101 -9.848 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 27 5.461 -11.232 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.195 -9.350 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.678 -8.892 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.827 -12.357 -2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.457 -12.697 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.275 -11.506 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.326 -9.537 -0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.491 -10.673 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.031 -11.138 -0.817 1.00 0.00 H new ATOM 458 N ASN A 28 6.154 -11.727 -6.402 1.00 0.00 N ATOM 459 CA ASN A 28 6.255 -12.779 -7.469 1.00 0.00 C ATOM 460 C ASN A 28 6.383 -12.121 -8.844 1.00 0.00 C ATOM 461 O ASN A 28 6.278 -12.777 -9.862 1.00 0.00 O ATOM 462 CB ASN A 28 5.017 -13.684 -7.444 1.00 0.00 C ATOM 463 CG ASN A 28 5.234 -14.874 -8.384 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.340 -15.673 -8.584 1.00 0.00 O ATOM 465 ND2 ASN A 28 6.389 -15.029 -8.975 1.00 0.00 N ATOM 0 H ASN A 28 5.207 -11.421 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 28 7.141 -13.384 -7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.832 -14.037 -6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.136 -13.121 -7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.539 -15.819 -9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.141 -14.360 -8.809 1.00 0.00 H new ATOM 472 N SER A 29 6.636 -10.841 -8.886 1.00 0.00 N ATOM 473 CA SER A 29 6.802 -10.144 -10.198 1.00 0.00 C ATOM 474 C SER A 29 5.749 -10.621 -11.201 1.00 0.00 C ATOM 475 O SER A 29 6.068 -10.985 -12.316 1.00 0.00 O ATOM 476 CB SER A 29 8.192 -10.442 -10.752 1.00 0.00 C ATOM 477 OG SER A 29 8.203 -11.744 -11.323 1.00 0.00 O ATOM 0 H SER A 29 6.736 -10.244 -8.065 1.00 0.00 H new ATOM 0 HA SER A 29 6.679 -9.072 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.463 -9.701 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.935 -10.375 -9.957 1.00 0.00 H new ATOM 0 HG SER A 29 7.670 -11.745 -12.145 1.00 0.00 H new ATOM 483 N ASP A 30 4.495 -10.613 -10.827 1.00 0.00 N ATOM 484 CA ASP A 30 3.427 -11.056 -11.775 1.00 0.00 C ATOM 485 C ASP A 30 2.857 -9.823 -12.475 1.00 0.00 C ATOM 486 O ASP A 30 2.015 -9.916 -13.345 1.00 0.00 O ATOM 487 CB ASP A 30 2.315 -11.762 -10.995 1.00 0.00 C ATOM 488 CG ASP A 30 1.233 -12.238 -11.966 1.00 0.00 C ATOM 489 OD1 ASP A 30 0.428 -11.417 -12.374 1.00 0.00 O ATOM 490 OD2 ASP A 30 1.228 -13.415 -12.285 1.00 0.00 O ATOM 0 H ASP A 30 4.164 -10.319 -9.908 1.00 0.00 H new ATOM 0 HA ASP A 30 3.841 -11.745 -12.511 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.724 -12.610 -10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.885 -11.083 -10.259 1.00 0.00 H new ATOM 495 N GLY A 31 3.316 -8.666 -12.086 1.00 0.00 N ATOM 496 CA GLY A 31 2.818 -7.404 -12.701 1.00 0.00 C ATOM 497 C GLY A 31 1.455 -7.041 -12.106 1.00 0.00 C ATOM 498 O GLY A 31 0.838 -6.074 -12.508 1.00 0.00 O ATOM 0 H GLY A 31 4.022 -8.540 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.529 -6.597 -12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.734 -7.523 -13.781 1.00 0.00 H new ATOM 502 N VAL A 32 0.988 -7.789 -11.132 1.00 0.00 N ATOM 503 CA VAL A 32 -0.326 -7.460 -10.490 1.00 0.00 C ATOM 504 C VAL A 32 -0.240 -7.779 -8.991 1.00 0.00 C ATOM 505 O VAL A 32 0.626 -8.517 -8.563 1.00 0.00 O ATOM 506 CB VAL A 32 -1.464 -8.277 -11.158 1.00 0.00 C ATOM 507 CG1 VAL A 32 -1.129 -8.508 -12.632 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.664 -9.637 -10.465 1.00 0.00 C ATOM 0 H VAL A 32 1.459 -8.611 -10.755 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.547 -6.401 -10.621 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.388 -7.706 -11.064 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.928 -9.082 -13.101 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.027 -7.547 -13.137 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.192 -9.060 -12.710 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.468 -10.182 -10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.742 -10.216 -10.527 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.923 -9.477 -9.418 1.00 0.00 H new ATOM 518 N LEU A 33 -1.160 -7.274 -8.204 1.00 0.00 N ATOM 519 CA LEU A 33 -1.169 -7.601 -6.722 1.00 0.00 C ATOM 520 C LEU A 33 -2.458 -8.382 -6.449 1.00 0.00 C ATOM 521 O LEU A 33 -3.545 -7.913 -6.727 1.00 0.00 O ATOM 522 CB LEU A 33 -1.099 -6.316 -5.835 1.00 0.00 C ATOM 523 CG LEU A 33 0.321 -6.131 -5.262 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.380 -6.251 -6.383 1.00 0.00 C ATOM 525 CD2 LEU A 33 0.415 -4.748 -4.597 1.00 0.00 C ATOM 0 H LEU A 33 -1.907 -6.651 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.288 -8.189 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.375 -5.443 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.819 -6.390 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 33 0.515 -6.910 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.375 -6.118 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.311 -7.236 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.201 -5.484 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.416 -4.608 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.213 -3.974 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.318 -4.680 -3.793 1.00 0.00 H new ATOM 537 N ASP A 34 -2.340 -9.587 -5.947 1.00 0.00 N ATOM 538 CA ASP A 34 -3.556 -10.437 -5.696 1.00 0.00 C ATOM 539 C ASP A 34 -3.878 -10.513 -4.195 1.00 0.00 C ATOM 540 O ASP A 34 -3.145 -10.027 -3.359 1.00 0.00 O ATOM 541 CB ASP A 34 -3.317 -11.848 -6.269 1.00 0.00 C ATOM 542 CG ASP A 34 -2.476 -11.751 -7.545 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.397 -11.183 -7.481 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.921 -12.253 -8.562 1.00 0.00 O ATOM 0 H ASP A 34 -1.453 -10.024 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.413 -9.983 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.807 -12.469 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.271 -12.329 -6.486 1.00 0.00 H new ATOM 549 N GLU A 35 -4.997 -11.106 -3.862 1.00 0.00 N ATOM 550 CA GLU A 35 -5.427 -11.211 -2.428 1.00 0.00 C ATOM 551 C GLU A 35 -4.344 -11.843 -1.544 1.00 0.00 C ATOM 552 O GLU A 35 -4.131 -11.402 -0.431 1.00 0.00 O ATOM 553 CB GLU A 35 -6.710 -12.039 -2.342 1.00 0.00 C ATOM 554 CG GLU A 35 -7.330 -11.876 -0.955 1.00 0.00 C ATOM 555 CD GLU A 35 -8.588 -12.742 -0.851 1.00 0.00 C ATOM 556 OE1 GLU A 35 -9.310 -12.820 -1.830 1.00 0.00 O ATOM 557 OE2 GLU A 35 -8.807 -13.310 0.206 1.00 0.00 O ATOM 0 H GLU A 35 -5.642 -11.528 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.603 -10.201 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.416 -11.716 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.491 -13.090 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.612 -12.166 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.580 -10.830 -0.778 1.00 0.00 H new ATOM 564 N GLN A 36 -3.660 -12.850 -1.987 1.00 0.00 N ATOM 565 CA GLN A 36 -2.619 -13.450 -1.113 1.00 0.00 C ATOM 566 C GLN A 36 -1.555 -12.392 -0.820 1.00 0.00 C ATOM 567 O GLN A 36 -0.865 -12.454 0.180 1.00 0.00 O ATOM 568 CB GLN A 36 -1.995 -14.681 -1.794 1.00 0.00 C ATOM 569 CG GLN A 36 -1.217 -14.281 -3.064 1.00 0.00 C ATOM 570 CD GLN A 36 0.236 -13.926 -2.717 1.00 0.00 C ATOM 571 OE1 GLN A 36 1.058 -13.767 -3.597 1.00 0.00 O ATOM 572 NE2 GLN A 36 0.594 -13.801 -1.467 1.00 0.00 N ATOM 0 H GLN A 36 -3.771 -13.282 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.067 -13.781 -0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.325 -15.185 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.779 -15.393 -2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.235 -15.101 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.702 -13.429 -3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.092 -13.933 -0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.560 -13.571 -1.234 1.00 0.00 H new ATOM 581 N GLU A 37 -1.417 -11.412 -1.678 1.00 0.00 N ATOM 582 CA GLU A 37 -0.390 -10.349 -1.430 1.00 0.00 C ATOM 583 C GLU A 37 -0.944 -9.317 -0.433 1.00 0.00 C ATOM 584 O GLU A 37 -0.248 -8.881 0.461 1.00 0.00 O ATOM 585 CB GLU A 37 0.001 -9.662 -2.752 1.00 0.00 C ATOM 586 CG GLU A 37 0.937 -10.575 -3.546 1.00 0.00 C ATOM 587 CD GLU A 37 1.315 -9.895 -4.863 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.120 -8.981 -4.826 1.00 0.00 O ATOM 589 OE2 GLU A 37 0.790 -10.302 -5.889 1.00 0.00 O ATOM 0 H GLU A 37 -1.964 -11.301 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 37 0.503 -10.809 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.892 -9.442 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.491 -8.710 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.834 -10.789 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.450 -11.530 -3.744 1.00 0.00 H new ATOM 596 N LEU A 38 -2.194 -8.944 -0.555 1.00 0.00 N ATOM 597 CA LEU A 38 -2.782 -7.969 0.411 1.00 0.00 C ATOM 598 C LEU A 38 -3.063 -8.694 1.732 1.00 0.00 C ATOM 599 O LEU A 38 -2.991 -8.108 2.793 1.00 0.00 O ATOM 600 CB LEU A 38 -4.091 -7.378 -0.156 1.00 0.00 C ATOM 601 CG LEU A 38 -3.988 -7.162 -1.685 1.00 0.00 C ATOM 602 CD1 LEU A 38 -5.287 -6.524 -2.211 1.00 0.00 C ATOM 603 CD2 LEU A 38 -2.810 -6.235 -2.037 1.00 0.00 C ATOM 0 H LEU A 38 -2.831 -9.273 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.081 -7.151 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.922 -8.048 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.308 -6.429 0.335 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.827 -8.135 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.209 -6.374 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.129 -7.183 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.444 -5.563 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.762 -6.102 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.953 -5.267 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.879 -6.680 -1.685 1.00 0.00 H new ATOM 615 N GLU A 39 -3.359 -9.963 1.687 1.00 0.00 N ATOM 616 CA GLU A 39 -3.611 -10.702 2.947 1.00 0.00 C ATOM 617 C GLU A 39 -2.348 -10.643 3.812 1.00 0.00 C ATOM 618 O GLU A 39 -2.403 -10.380 4.999 1.00 0.00 O ATOM 619 CB GLU A 39 -3.938 -12.159 2.615 1.00 0.00 C ATOM 620 CG GLU A 39 -4.542 -12.835 3.842 1.00 0.00 C ATOM 621 CD GLU A 39 -4.803 -14.311 3.539 1.00 0.00 C ATOM 622 OE1 GLU A 39 -5.788 -14.594 2.876 1.00 0.00 O ATOM 623 OE2 GLU A 39 -4.014 -15.133 3.974 1.00 0.00 O ATOM 0 H GLU A 39 -3.436 -10.516 0.833 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.448 -10.257 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.637 -12.205 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.035 -12.684 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.865 -12.742 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.473 -12.341 4.121 1.00 0.00 H new ATOM 630 N ALA A 40 -1.210 -10.892 3.221 1.00 0.00 N ATOM 631 CA ALA A 40 0.064 -10.861 3.995 1.00 0.00 C ATOM 632 C ALA A 40 0.462 -9.417 4.327 1.00 0.00 C ATOM 633 O ALA A 40 1.111 -9.159 5.320 1.00 0.00 O ATOM 634 CB ALA A 40 1.166 -11.512 3.167 1.00 0.00 C ATOM 0 H ALA A 40 -1.108 -11.116 2.231 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.077 -11.406 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.101 -11.493 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.895 -12.545 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.291 -10.964 2.233 1.00 0.00 H new ATOM 640 N LEU A 41 0.097 -8.477 3.498 1.00 0.00 N ATOM 641 CA LEU A 41 0.482 -7.058 3.766 1.00 0.00 C ATOM 642 C LEU A 41 -0.343 -6.494 4.939 1.00 0.00 C ATOM 643 O LEU A 41 0.082 -5.579 5.618 1.00 0.00 O ATOM 644 CB LEU A 41 0.250 -6.220 2.480 1.00 0.00 C ATOM 645 CG LEU A 41 1.420 -5.257 2.241 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.218 -4.529 0.910 1.00 0.00 C ATOM 647 CD2 LEU A 41 1.480 -4.234 3.376 1.00 0.00 C ATOM 0 H LEU A 41 -0.449 -8.627 2.650 1.00 0.00 H new ATOM 0 HA LEU A 41 1.535 -7.009 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.138 -6.884 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.679 -5.656 2.570 1.00 0.00 H new ATOM 0 HG LEU A 41 2.353 -5.821 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.049 -3.845 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.176 -5.257 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.285 -3.966 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.311 -3.550 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.547 -3.671 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.624 -4.751 4.325 1.00 0.00 H new ATOM 659 N PHE A 42 -1.516 -7.022 5.182 1.00 0.00 N ATOM 660 CA PHE A 42 -2.349 -6.490 6.307 1.00 0.00 C ATOM 661 C PHE A 42 -1.866 -7.083 7.633 1.00 0.00 C ATOM 662 O PHE A 42 -1.656 -6.378 8.602 1.00 0.00 O ATOM 663 CB PHE A 42 -3.836 -6.844 6.101 1.00 0.00 C ATOM 664 CG PHE A 42 -4.421 -6.059 4.928 1.00 0.00 C ATOM 665 CD1 PHE A 42 -4.364 -4.649 4.911 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.012 -6.736 3.843 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.886 -3.939 3.824 1.00 0.00 C ATOM 668 CE2 PHE A 42 -5.524 -6.018 2.761 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.460 -4.622 2.750 1.00 0.00 C ATOM 0 H PHE A 42 -1.931 -7.791 4.657 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.246 -5.405 6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.938 -7.913 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.397 -6.622 7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.917 -4.117 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.069 -7.814 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.845 -2.860 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.971 -6.543 1.930 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.855 -4.071 1.910 1.00 0.00 H new ATOM 679 N THR A 43 -1.702 -8.375 7.691 1.00 0.00 N ATOM 680 CA THR A 43 -1.256 -9.019 8.959 1.00 0.00 C ATOM 681 C THR A 43 0.108 -8.473 9.412 1.00 0.00 C ATOM 682 O THR A 43 0.294 -8.142 10.565 1.00 0.00 O ATOM 683 CB THR A 43 -1.158 -10.534 8.739 1.00 0.00 C ATOM 684 OG1 THR A 43 -2.463 -11.062 8.549 1.00 0.00 O ATOM 685 CG2 THR A 43 -0.512 -11.199 9.957 1.00 0.00 C ATOM 0 H THR A 43 -1.858 -9.015 6.912 1.00 0.00 H new ATOM 0 HA THR A 43 -1.983 -8.795 9.739 1.00 0.00 H new ATOM 0 HB THR A 43 -0.546 -10.732 7.859 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.407 -12.030 8.406 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.446 -12.274 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.489 -10.793 10.105 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.118 -11.004 10.842 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.808 -3.972 10.690 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.558 -4.847 9.508 1.00 0.00 C ATOM 1059 C ARG A 66 -9.612 -4.549 8.435 1.00 0.00 C ATOM 1060 O ARG A 66 -9.302 -4.420 7.266 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.645 -6.331 9.943 1.00 0.00 C ATOM 1062 CG ARG A 66 -7.244 -6.892 10.221 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.366 -8.322 10.749 1.00 0.00 C ATOM 1064 NE ARG A 66 -8.149 -8.319 12.016 1.00 0.00 N ATOM 1065 CZ ARG A 66 -8.640 -9.434 12.482 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -8.453 -10.551 11.835 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -9.322 -9.432 13.595 1.00 0.00 N ATOM 0 HA ARG A 66 -7.565 -4.654 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.262 -6.419 10.837 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.130 -6.917 9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.647 -6.879 9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.727 -6.266 10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.856 -8.954 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.375 -8.743 10.922 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.301 -7.445 12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.922 -10.553 10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.837 -11.422 12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.471 -8.559 14.100 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.706 -10.304 13.959 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.853 -4.445 8.820 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.920 -4.162 7.819 1.00 0.00 C ATOM 1083 C LEU A 67 -11.761 -2.734 7.289 1.00 0.00 C ATOM 1084 O LEU A 67 -12.147 -2.428 6.179 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.297 -4.312 8.477 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.523 -5.773 8.906 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.621 -5.831 9.971 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.954 -6.625 7.703 1.00 0.00 C ATOM 0 H LEU A 67 -11.175 -4.543 9.783 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.835 -4.868 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.368 -3.655 9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.077 -4.005 7.780 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.589 -6.164 9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.780 -6.866 10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.319 -5.242 10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.547 -5.427 9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.110 -7.655 8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.882 -6.229 7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.177 -6.596 6.940 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.201 -1.857 8.078 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.027 -0.449 7.620 1.00 0.00 C ATOM 1102 C ARG A 68 -10.046 -0.411 6.437 1.00 0.00 C ATOM 1103 O ARG A 68 -10.252 0.300 5.474 1.00 0.00 O ATOM 1104 CB ARG A 68 -10.494 0.405 8.791 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.004 1.850 8.679 1.00 0.00 C ATOM 1106 CD ARG A 68 -10.462 2.502 7.403 1.00 0.00 C ATOM 1107 NE ARG A 68 -10.496 3.984 7.556 1.00 0.00 N ATOM 1108 CZ ARG A 68 -9.827 4.741 6.730 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -9.130 4.202 5.767 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -9.856 6.039 6.868 1.00 0.00 N ATOM 0 H ARG A 68 -10.857 -2.054 9.018 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.985 -0.044 7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.814 -0.027 9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.404 0.397 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.094 1.859 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.690 2.423 9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.442 2.167 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.060 2.200 6.544 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.042 4.407 8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.108 3.188 5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.608 4.795 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.401 6.460 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.334 6.632 6.223 1.00 0.00 H new ATOM 1124 N MET A 69 -8.985 -1.177 6.494 1.00 0.00 N ATOM 1125 CA MET A 69 -8.006 -1.182 5.364 1.00 0.00 C ATOM 1126 C MET A 69 -8.468 -2.179 4.295 1.00 0.00 C ATOM 1127 O MET A 69 -8.531 -1.861 3.124 1.00 0.00 O ATOM 1128 CB MET A 69 -6.607 -1.574 5.875 1.00 0.00 C ATOM 1129 CG MET A 69 -6.325 -0.922 7.238 1.00 0.00 C ATOM 1130 SD MET A 69 -4.534 -0.765 7.461 1.00 0.00 S ATOM 1131 CE MET A 69 -4.540 -0.585 9.263 1.00 0.00 C ATOM 0 H MET A 69 -8.755 -1.797 7.271 1.00 0.00 H new ATOM 0 HA MET A 69 -7.953 -0.183 4.931 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.537 -2.658 5.963 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.851 -1.263 5.154 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.798 0.059 7.291 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.752 -1.525 8.039 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.517 -0.472 9.621 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.120 0.296 9.539 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.987 -1.470 9.716 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.784 -3.382 4.682 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.234 -4.397 3.686 1.00 0.00 C ATOM 1143 C ARG A 70 -10.443 -3.880 2.894 1.00 0.00 C ATOM 1144 O ARG A 70 -10.509 -4.025 1.690 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.622 -5.683 4.420 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.907 -6.795 3.395 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.348 -8.098 4.104 1.00 0.00 C ATOM 1148 NE ARG A 70 -9.685 -9.275 3.454 1.00 0.00 N ATOM 1149 CZ ARG A 70 -9.669 -9.412 2.153 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.352 -8.601 1.394 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -9.000 -10.395 1.614 1.00 0.00 N ATOM 0 H ARG A 70 -8.751 -3.709 5.648 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.418 -4.592 2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.818 -5.989 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.503 -5.510 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.686 -6.469 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.014 -6.984 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.083 -8.056 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.432 -8.204 4.051 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.238 -9.982 4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.904 -7.853 1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.334 -8.715 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.493 -11.052 2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.985 -10.506 0.600 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.408 -3.303 3.555 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.614 -2.812 2.834 1.00 0.00 C ATOM 1167 C GLU A 71 -12.314 -1.513 2.074 1.00 0.00 C ATOM 1168 O GLU A 71 -12.586 -1.400 0.896 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.726 -2.559 3.853 1.00 0.00 C ATOM 1170 CG GLU A 71 -15.061 -2.447 3.127 1.00 0.00 C ATOM 1171 CD GLU A 71 -16.168 -2.124 4.132 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -16.061 -1.107 4.796 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -17.105 -2.902 4.222 1.00 0.00 O ATOM 0 H GLU A 71 -11.413 -3.151 4.564 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.922 -3.566 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.761 -3.371 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.524 -1.643 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.008 -1.668 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.285 -3.381 2.612 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.771 -0.529 2.737 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.475 0.763 2.045 1.00 0.00 C ATOM 1182 C HIS A 72 -10.590 0.522 0.815 1.00 0.00 C ATOM 1183 O HIS A 72 -10.780 1.140 -0.213 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.768 1.719 3.012 1.00 0.00 C ATOM 1185 CG HIS A 72 -10.723 3.096 2.409 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -11.592 4.102 2.799 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -9.917 3.647 1.446 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -11.291 5.198 2.077 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -10.277 4.976 1.237 1.00 0.00 N ATOM 0 H HIS A 72 -11.519 -0.561 3.725 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.415 1.208 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.295 1.745 3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.757 1.366 3.216 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.123 3.129 0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.807 6.142 2.166 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.857 5.637 0.584 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.627 -0.354 0.896 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.755 -0.591 -0.294 1.00 0.00 C ATOM 1199 C VAL A 73 -9.542 -1.349 -1.372 1.00 0.00 C ATOM 1200 O VAL A 73 -9.618 -0.927 -2.508 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.527 -1.410 0.115 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.745 -1.820 -1.136 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.630 -0.563 1.021 1.00 0.00 C ATOM 0 H VAL A 73 -9.406 -0.910 1.722 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.430 0.370 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.848 -2.303 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.871 -2.403 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.383 -2.422 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.423 -0.928 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.755 -1.144 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.310 0.330 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.185 -0.270 1.912 1.00 0.00 H new ATOM 1213 N MET A 74 -10.121 -2.463 -1.025 1.00 0.00 N ATOM 1214 CA MET A 74 -10.895 -3.250 -2.028 1.00 0.00 C ATOM 1215 C MET A 74 -12.117 -2.454 -2.502 1.00 0.00 C ATOM 1216 O MET A 74 -12.729 -2.796 -3.490 1.00 0.00 O ATOM 1217 CB MET A 74 -11.350 -4.576 -1.398 1.00 0.00 C ATOM 1218 CG MET A 74 -10.207 -5.595 -1.451 1.00 0.00 C ATOM 1219 SD MET A 74 -10.011 -6.191 -3.153 1.00 0.00 S ATOM 1220 CE MET A 74 -9.764 -7.946 -2.777 1.00 0.00 C ATOM 0 H MET A 74 -10.093 -2.865 -0.088 1.00 0.00 H new ATOM 0 HA MET A 74 -10.257 -3.455 -2.888 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.656 -4.412 -0.365 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.219 -4.963 -1.930 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.280 -5.137 -1.105 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.418 -6.430 -0.783 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.622 -8.500 -3.705 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.883 -8.062 -2.146 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.639 -8.333 -2.254 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.500 -1.416 -1.805 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.705 -0.636 -2.234 1.00 0.00 C ATOM 1232 C LYS A 75 -13.306 0.556 -3.118 1.00 0.00 C ATOM 1233 O LYS A 75 -14.001 0.892 -4.057 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.430 -0.114 -0.994 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.795 0.445 -1.396 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.552 0.894 -0.146 1.00 0.00 C ATOM 1237 CE LYS A 75 -17.825 1.618 -0.550 1.00 0.00 C ATOM 1238 NZ LYS A 75 -18.721 1.751 0.634 1.00 0.00 N ATOM 0 H LYS A 75 -12.036 -1.074 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.355 -1.294 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.554 -0.917 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.835 0.662 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.669 1.285 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.368 -0.314 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.794 0.031 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.924 1.551 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.584 2.603 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.332 1.068 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.592 2.247 0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.961 0.806 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.236 2.293 1.377 1.00 0.00 H new ATOM 1252 N ASN A 76 -12.217 1.223 -2.811 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.808 2.422 -3.622 1.00 0.00 C ATOM 1254 C ASN A 76 -10.695 2.086 -4.627 1.00 0.00 C ATOM 1255 O ASN A 76 -10.584 2.740 -5.647 1.00 0.00 O ATOM 1256 CB ASN A 76 -11.341 3.539 -2.678 1.00 0.00 C ATOM 1257 CG ASN A 76 -9.950 3.218 -2.123 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -9.235 4.103 -1.696 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -9.534 1.983 -2.111 1.00 0.00 N ATOM 0 H ASN A 76 -11.594 0.992 -2.037 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.675 2.752 -4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.317 4.489 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.050 3.652 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.609 1.760 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.133 1.239 -2.469 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.875 1.092 -4.387 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.798 0.776 -5.389 1.00 0.00 C ATOM 1268 C VAL A 77 -9.331 -0.247 -6.395 1.00 0.00 C ATOM 1269 O VAL A 77 -9.026 -0.175 -7.563 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.533 0.237 -4.699 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.597 -0.384 -5.752 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.794 1.395 -4.014 1.00 0.00 C ATOM 0 H VAL A 77 -9.899 0.495 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.523 1.694 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.819 -0.515 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.701 -0.766 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.110 -1.202 -6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.316 0.375 -6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.897 1.015 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.513 2.139 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.446 1.854 -3.271 1.00 0.00 H new ATOM 1282 N ASP A 78 -10.143 -1.178 -5.972 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.701 -2.167 -6.944 1.00 0.00 C ATOM 1284 C ASP A 78 -11.264 -1.407 -8.147 1.00 0.00 C ATOM 1285 O ASP A 78 -12.247 -0.701 -8.046 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.816 -2.969 -6.273 1.00 0.00 C ATOM 1287 CG ASP A 78 -12.999 -2.049 -5.960 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -12.822 -1.138 -5.168 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -14.060 -2.268 -6.520 1.00 0.00 O ATOM 0 H ASP A 78 -10.443 -1.298 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.919 -2.852 -7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.137 -3.780 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.446 -3.426 -5.355 1.00 0.00 H new ATOM 1294 N THR A 79 -10.620 -1.504 -9.277 1.00 0.00 N ATOM 1295 CA THR A 79 -11.085 -0.746 -10.471 1.00 0.00 C ATOM 1296 C THR A 79 -12.141 -1.553 -11.236 1.00 0.00 C ATOM 1297 O THR A 79 -13.280 -1.143 -11.339 1.00 0.00 O ATOM 1298 CB THR A 79 -9.883 -0.414 -11.400 1.00 0.00 C ATOM 1299 OG1 THR A 79 -10.060 -1.061 -12.654 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.530 -0.861 -10.782 1.00 0.00 C ATOM 0 H THR A 79 -9.789 -2.077 -9.425 1.00 0.00 H new ATOM 0 HA THR A 79 -11.536 0.188 -10.136 1.00 0.00 H new ATOM 0 HB THR A 79 -9.853 0.668 -11.528 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.189 -0.388 -13.354 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.718 -0.610 -11.464 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.377 -0.349 -9.832 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.544 -1.938 -10.616 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.777 -2.686 -11.776 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.771 -3.515 -12.545 1.00 0.00 C ATOM 1310 C ASN A 80 -13.240 -4.683 -11.681 1.00 0.00 C ATOM 1311 O ASN A 80 -13.835 -5.628 -12.161 1.00 0.00 O ATOM 1312 CB ASN A 80 -12.134 -4.038 -13.835 1.00 0.00 C ATOM 1313 CG ASN A 80 -10.954 -4.952 -13.493 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -10.917 -6.093 -13.908 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -9.982 -4.497 -12.750 1.00 0.00 N ATOM 0 H ASN A 80 -10.837 -3.079 -11.722 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.629 -2.895 -12.806 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -12.873 -4.585 -14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.794 -3.204 -14.449 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.192 -5.099 -12.518 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.012 -3.539 -12.401 1.00 0.00 H new ATOM 1322 N GLN A 81 -13.006 -4.605 -10.404 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.462 -5.674 -9.478 1.00 0.00 C ATOM 1324 C GLN A 81 -13.199 -7.060 -10.066 1.00 0.00 C ATOM 1325 O GLN A 81 -14.107 -7.756 -10.478 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.964 -5.508 -9.211 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.196 -4.351 -8.227 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.924 -4.826 -6.797 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -15.295 -4.168 -5.845 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -14.291 -5.951 -6.603 1.00 0.00 N ATOM 0 H GLN A 81 -12.511 -3.834 -9.956 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.903 -5.585 -8.546 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.489 -5.312 -10.146 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.374 -6.432 -8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.541 -3.515 -8.473 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.221 -3.989 -8.311 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.979 -6.505 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.109 -6.276 -5.654 1.00 0.00 H new ATOM 1339 N ASP A 82 -11.963 -7.473 -10.073 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.605 -8.834 -10.594 1.00 0.00 C ATOM 1341 C ASP A 82 -10.741 -9.520 -9.536 1.00 0.00 C ATOM 1342 O ASP A 82 -10.024 -10.463 -9.802 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.815 -8.698 -11.897 1.00 0.00 C ATOM 1344 CG ASP A 82 -10.577 -10.086 -12.497 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -11.377 -10.968 -12.233 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -9.600 -10.243 -13.209 1.00 0.00 O ATOM 0 H ASP A 82 -11.172 -6.923 -9.737 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.504 -9.417 -10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.363 -8.074 -12.603 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.862 -8.204 -11.707 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.803 -9.014 -8.336 1.00 0.00 N ATOM 1352 CA ARG A 83 -9.994 -9.565 -7.212 1.00 0.00 C ATOM 1353 C ARG A 83 -8.509 -9.412 -7.548 1.00 0.00 C ATOM 1354 O ARG A 83 -7.641 -9.706 -6.751 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.333 -11.040 -6.974 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.859 -11.229 -7.002 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.205 -12.674 -6.628 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.671 -12.889 -6.780 1.00 0.00 N ATOM 1359 CZ ARG A 83 -14.151 -14.103 -6.810 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -13.348 -15.125 -6.708 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.436 -14.293 -6.941 1.00 0.00 N ATOM 0 H ARG A 83 -11.394 -8.223 -8.081 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.224 -9.015 -6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.866 -11.659 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.934 -11.365 -6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.334 -10.539 -6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.246 -10.997 -7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.657 -13.367 -7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.901 -12.878 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.299 -12.089 -6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.344 -14.977 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.724 -16.073 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.064 -13.493 -7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.812 -15.241 -6.965 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.218 -8.944 -8.736 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.809 -8.748 -9.173 1.00 0.00 C ATOM 1377 C LEU A 84 -6.648 -7.292 -9.598 1.00 0.00 C ATOM 1378 O LEU A 84 -7.476 -6.746 -10.302 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.518 -9.648 -10.385 1.00 0.00 C ATOM 1380 CG LEU A 84 -6.832 -11.132 -10.054 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -7.168 -11.888 -11.346 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.623 -11.815 -9.381 1.00 0.00 C ATOM 0 H LEU A 84 -8.916 -8.685 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.125 -8.997 -8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.117 -9.325 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.472 -9.548 -10.676 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.680 -11.155 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.388 -12.929 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.037 -11.431 -11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.318 -11.841 -12.027 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.869 -12.854 -9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.765 -11.780 -10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.380 -11.294 -8.455 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.593 -6.657 -9.168 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.362 -5.222 -9.531 1.00 0.00 C ATOM 1396 C VAL A 85 -4.182 -5.135 -10.498 1.00 0.00 C ATOM 1397 O VAL A 85 -3.126 -5.670 -10.228 1.00 0.00 O ATOM 1398 CB VAL A 85 -5.016 -4.440 -8.261 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.607 -3.016 -8.644 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.236 -4.399 -7.330 1.00 0.00 C ATOM 0 H VAL A 85 -4.873 -7.070 -8.576 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.257 -4.808 -9.996 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.191 -4.929 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.359 -2.454 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.737 -3.051 -9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.432 -2.527 -9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.986 -3.842 -6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.066 -3.911 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.523 -5.416 -7.061 1.00 0.00 H new ATOM 1410 N THR A 86 -4.335 -4.455 -11.611 1.00 0.00 N ATOM 1411 CA THR A 86 -3.192 -4.337 -12.575 1.00 0.00 C ATOM 1412 C THR A 86 -2.544 -2.961 -12.420 1.00 0.00 C ATOM 1413 O THR A 86 -3.131 -2.049 -11.879 1.00 0.00 O ATOM 1414 CB THR A 86 -3.693 -4.515 -14.003 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.619 -3.486 -14.319 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.368 -5.879 -14.140 1.00 0.00 C ATOM 0 H THR A 86 -5.193 -3.981 -11.892 1.00 0.00 H new ATOM 0 HA THR A 86 -2.457 -5.113 -12.362 1.00 0.00 H new ATOM 0 HB THR A 86 -2.850 -4.459 -14.692 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.937 -3.603 -15.238 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.727 -6.007 -15.161 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.650 -6.665 -13.906 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.210 -5.939 -13.450 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.343 -2.804 -12.902 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.655 -1.484 -12.794 1.00 0.00 C ATOM 1426 C LEU A 87 -1.443 -0.454 -13.599 1.00 0.00 C ATOM 1427 O LEU A 87 -1.549 0.699 -13.228 1.00 0.00 O ATOM 1428 CB LEU A 87 0.761 -1.615 -13.390 1.00 0.00 C ATOM 1429 CG LEU A 87 1.477 -0.229 -13.506 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.316 0.047 -12.255 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.391 -0.215 -14.740 1.00 0.00 C ATOM 0 H LEU A 87 -0.805 -3.535 -13.368 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.593 -1.173 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.357 -2.280 -12.766 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.698 -2.075 -14.376 1.00 0.00 H new ATOM 0 HG LEU A 87 0.716 0.545 -13.603 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.807 1.015 -12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.669 0.055 -11.378 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.070 -0.732 -12.143 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.886 0.753 -14.815 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.141 -1.000 -14.646 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.795 -0.388 -15.636 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.966 -0.856 -14.711 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.713 0.093 -15.575 1.00 0.00 C ATOM 1445 C GLU A 88 -3.887 0.715 -14.815 1.00 0.00 C ATOM 1446 O GLU A 88 -3.905 1.901 -14.535 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.251 -0.665 -16.790 1.00 0.00 C ATOM 1448 CG GLU A 88 -2.081 -1.246 -17.587 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.607 -1.905 -18.863 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -3.505 -1.344 -19.469 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -2.104 -2.960 -19.213 1.00 0.00 O ATOM 0 H GLU A 88 -1.910 -1.811 -15.066 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.039 0.891 -15.886 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.918 -1.464 -16.467 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.837 0.004 -17.420 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.372 -0.457 -17.839 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.544 -1.977 -16.983 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.879 -0.067 -14.508 1.00 0.00 N ATOM 1459 CA GLU A 89 -6.068 0.479 -13.802 1.00 0.00 C ATOM 1460 C GLU A 89 -5.677 1.040 -12.423 1.00 0.00 C ATOM 1461 O GLU A 89 -6.292 1.968 -11.932 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.121 -0.626 -13.646 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.283 -1.379 -14.970 1.00 0.00 C ATOM 1464 CD GLU A 89 -7.610 -0.386 -16.086 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -8.762 0.003 -16.188 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.703 -0.031 -16.821 1.00 0.00 O ATOM 0 H GLU A 89 -4.919 -1.065 -14.716 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.483 1.296 -14.392 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.822 -1.317 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.075 -0.192 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.367 -1.920 -15.207 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.078 -2.120 -14.884 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.674 0.493 -11.789 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.274 1.010 -10.445 1.00 0.00 C ATOM 1475 C PHE A 90 -3.779 2.456 -10.578 1.00 0.00 C ATOM 1476 O PHE A 90 -4.233 3.347 -9.884 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.164 0.115 -9.881 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.382 0.840 -8.806 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -2.889 0.929 -7.504 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.150 1.426 -9.119 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.163 1.604 -6.516 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.424 2.102 -8.133 1.00 0.00 C ATOM 1483 CZ PHE A 90 -0.930 2.191 -6.832 1.00 0.00 C ATOM 0 H PHE A 90 -4.116 -0.285 -12.140 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.128 0.996 -9.767 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.599 -0.795 -9.469 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.492 -0.188 -10.684 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.840 0.477 -7.262 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.759 1.356 -10.123 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.552 1.673 -5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.526 2.555 -8.376 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.370 2.713 -6.070 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.863 2.697 -11.473 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.350 4.082 -11.661 1.00 0.00 C ATOM 1495 C LEU A 91 -3.531 5.043 -11.788 1.00 0.00 C ATOM 1496 O LEU A 91 -3.547 6.105 -11.200 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.505 4.132 -12.937 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.152 3.434 -12.689 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.580 3.271 -14.026 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.722 4.258 -11.712 1.00 0.00 C ATOM 0 H LEU A 91 -2.447 1.994 -12.083 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.738 4.372 -10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.034 3.642 -13.755 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.342 5.167 -13.237 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.335 2.457 -12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.538 2.778 -13.859 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.026 2.667 -14.701 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.749 4.252 -14.470 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.671 3.746 -11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.909 5.245 -12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.202 4.364 -10.760 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.523 4.676 -12.554 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.706 5.568 -12.723 1.00 0.00 C ATOM 1514 C ALA A 92 -6.241 5.997 -11.352 1.00 0.00 C ATOM 1515 O ALA A 92 -6.319 7.171 -11.050 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.800 4.819 -13.484 1.00 0.00 C ATOM 0 H ALA A 92 -4.565 3.797 -13.070 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.408 6.455 -13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.666 5.469 -13.609 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.424 4.523 -14.463 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.091 3.931 -12.923 1.00 0.00 H new ATOM 1522 N SER A 93 -6.622 5.058 -10.523 1.00 0.00 N ATOM 1523 CA SER A 93 -7.162 5.418 -9.179 1.00 0.00 C ATOM 1524 C SER A 93 -6.275 6.480 -8.527 1.00 0.00 C ATOM 1525 O SER A 93 -6.741 7.301 -7.761 1.00 0.00 O ATOM 1526 CB SER A 93 -7.200 4.172 -8.293 1.00 0.00 C ATOM 1527 OG SER A 93 -7.672 4.530 -7.002 1.00 0.00 O ATOM 0 H SER A 93 -6.582 4.058 -10.720 1.00 0.00 H new ATOM 0 HA SER A 93 -8.170 5.816 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.851 3.417 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.205 3.732 -8.220 1.00 0.00 H new ATOM 0 HG SER A 93 -7.699 3.734 -6.431 1.00 0.00 H new ATOM 1533 N THR A 94 -5.003 6.482 -8.832 1.00 0.00 N ATOM 1534 CA THR A 94 -4.088 7.507 -8.237 1.00 0.00 C ATOM 1535 C THR A 94 -3.939 8.668 -9.222 1.00 0.00 C ATOM 1536 O THR A 94 -4.239 9.801 -8.905 1.00 0.00 O ATOM 1537 CB THR A 94 -2.717 6.884 -7.963 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.059 6.629 -9.196 1.00 0.00 O ATOM 1539 CG2 THR A 94 -2.894 5.572 -7.197 1.00 0.00 C ATOM 0 H THR A 94 -4.557 5.820 -9.467 1.00 0.00 H new ATOM 0 HA THR A 94 -4.504 7.870 -7.297 1.00 0.00 H new ATOM 0 HB THR A 94 -2.118 7.572 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.703 6.271 -9.842 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.917 5.130 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.398 5.768 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.493 4.882 -7.791 1.00 0.00 H new