USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 28 ASN : amide:sc=-0.00207 X(o=-0.0021,f=0) USER MOD Set 2.2: A 48 MET CE :methyl 156:sc= 0 (180deg=-0.424) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 30 MET CE :methyl 167:sc= -0.0572 (180deg=-0.692) USER MOD Single : A 32 GLN : amide:sc= -0.712 K(o=-0.71,f=-1.4) USER MOD Single : A 37 MET CE :methyl -163:sc= -0.319 (180deg=-1.34) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.24) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 1.71 (180deg=1.65) USER MOD Single : A 53 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.034) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.861 K(o=0.86,f=-6.4!) USER MOD Single : A 59 TYR OH : rot -1:sc= 1.2 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 73 GLN : amide:sc=-0.00618 X(o=-0.0062,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.198 5.884 13.885 1.00 0.00 N ATOM 331 CA ASP A 23 -14.778 4.625 14.384 1.00 0.00 C ATOM 332 C ASP A 23 -13.865 3.403 14.136 1.00 0.00 C ATOM 333 O ASP A 23 -13.989 2.378 14.814 1.00 0.00 O ATOM 334 CB ASP A 23 -16.151 4.399 13.736 1.00 0.00 C ATOM 335 CG ASP A 23 -17.168 5.475 14.152 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.676 5.417 15.300 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.477 6.373 13.332 1.00 0.00 O ATOM 0 HA ASP A 23 -14.884 4.723 15.464 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.045 4.401 12.651 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.528 3.416 14.018 1.00 0.00 H new ATOM 342 N THR A 24 -12.907 3.504 13.208 1.00 0.00 N ATOM 343 CA THR A 24 -11.840 2.507 13.009 1.00 0.00 C ATOM 344 C THR A 24 -10.902 2.377 14.225 1.00 0.00 C ATOM 345 O THR A 24 -10.355 1.299 14.454 1.00 0.00 O ATOM 346 CB THR A 24 -11.060 2.784 11.712 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.957 2.872 10.621 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.078 1.674 11.343 1.00 0.00 C ATOM 0 H THR A 24 -12.847 4.291 12.562 1.00 0.00 H new ATOM 0 HA THR A 24 -12.331 1.539 12.907 1.00 0.00 H new ATOM 0 HB THR A 24 -10.515 3.709 11.898 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.455 3.050 9.798 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.563 1.936 10.419 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.348 1.553 12.143 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.621 0.739 11.204 1.00 0.00 H new ATOM 356 N ILE A 25 -10.775 3.418 15.063 1.00 0.00 N ATOM 357 CA ILE A 25 -10.069 3.360 16.361 1.00 0.00 C ATOM 358 C ILE A 25 -10.771 2.371 17.304 1.00 0.00 C ATOM 359 O ILE A 25 -10.128 1.509 17.906 1.00 0.00 O ATOM 360 CB ILE A 25 -9.956 4.766 17.010 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.175 5.744 16.096 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.291 4.687 18.398 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.226 7.209 16.553 1.00 0.00 C ATOM 0 H ILE A 25 -11.164 4.339 14.859 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.054 3.006 16.180 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.969 5.148 17.136 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.134 5.426 16.048 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.575 5.676 15.084 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.226 5.687 18.828 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.887 4.050 19.051 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.289 4.269 18.298 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.655 7.827 15.860 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.262 7.548 16.573 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.797 7.294 17.552 1.00 0.00 H new ATOM 375 N PHE A 26 -12.094 2.501 17.443 1.00 0.00 N ATOM 376 CA PHE A 26 -12.899 1.728 18.391 1.00 0.00 C ATOM 377 C PHE A 26 -13.016 0.244 17.997 1.00 0.00 C ATOM 378 O PHE A 26 -12.875 -0.635 18.849 1.00 0.00 O ATOM 379 CB PHE A 26 -14.281 2.386 18.531 1.00 0.00 C ATOM 380 CG PHE A 26 -14.994 2.030 19.823 1.00 0.00 C ATOM 381 CD1 PHE A 26 -15.716 0.825 19.936 1.00 0.00 C ATOM 382 CD2 PHE A 26 -14.917 2.900 20.929 1.00 0.00 C ATOM 383 CE1 PHE A 26 -16.347 0.490 21.149 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.554 2.569 22.139 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.266 1.362 22.250 1.00 0.00 C ATOM 0 H PHE A 26 -12.644 3.158 16.890 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.393 1.737 19.357 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.166 3.469 18.475 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.904 2.087 17.688 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.785 0.157 19.090 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.366 3.825 20.847 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.894 -0.437 21.234 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.496 3.242 22.982 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.751 1.104 23.180 1.00 0.00 H new ATOM 395 N GLN A 27 -13.267 -0.047 16.713 1.00 0.00 N ATOM 396 CA GLN A 27 -13.517 -1.417 16.231 1.00 0.00 C ATOM 397 C GLN A 27 -12.276 -2.335 16.204 1.00 0.00 C ATOM 398 O GLN A 27 -12.431 -3.555 16.111 1.00 0.00 O ATOM 399 CB GLN A 27 -14.201 -1.369 14.850 1.00 0.00 C ATOM 400 CG GLN A 27 -13.230 -1.082 13.693 1.00 0.00 C ATOM 401 CD GLN A 27 -13.954 -0.777 12.383 1.00 0.00 C ATOM 402 OE1 GLN A 27 -13.929 -1.546 11.431 1.00 0.00 O ATOM 403 NE2 GLN A 27 -14.622 0.353 12.279 1.00 0.00 N ATOM 0 H GLN A 27 -13.303 0.659 15.978 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.180 -1.875 16.965 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.700 -2.321 14.667 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.975 -0.601 14.863 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.594 -0.237 13.958 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.575 -1.942 13.551 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.651 1.003 13.065 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.111 0.579 11.413 1.00 0.00 H new ATOM 412 N ASN A 28 -11.057 -1.778 16.259 1.00 0.00 N ATOM 413 CA ASN A 28 -9.799 -2.510 16.059 1.00 0.00 C ATOM 414 C ASN A 28 -8.800 -2.234 17.211 1.00 0.00 C ATOM 415 O ASN A 28 -8.094 -1.223 17.183 1.00 0.00 O ATOM 416 CB ASN A 28 -9.256 -2.191 14.646 1.00 0.00 C ATOM 417 CG ASN A 28 -8.622 -3.414 14.003 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.273 -4.172 13.300 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.356 -3.667 14.234 1.00 0.00 N ATOM 0 H ASN A 28 -10.916 -0.786 16.448 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.969 -3.586 16.100 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.068 -1.828 14.016 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.520 -1.390 14.710 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.919 -4.494 13.827 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.809 -3.037 14.820 1.00 0.00 H new ATOM 426 N PRO A 29 -8.711 -3.097 18.246 1.00 0.00 N ATOM 427 CA PRO A 29 -7.998 -2.791 19.497 1.00 0.00 C ATOM 428 C PRO A 29 -6.471 -2.655 19.351 1.00 0.00 C ATOM 429 O PRO A 29 -5.810 -2.060 20.203 1.00 0.00 O ATOM 430 CB PRO A 29 -8.377 -3.917 20.466 1.00 0.00 C ATOM 431 CG PRO A 29 -8.709 -5.088 19.544 1.00 0.00 C ATOM 432 CD PRO A 29 -9.349 -4.404 18.340 1.00 0.00 C ATOM 0 HA PRO A 29 -8.298 -1.807 19.857 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.556 -4.158 21.141 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.229 -3.642 21.087 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.816 -5.647 19.264 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.391 -5.794 20.017 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.191 -4.983 17.430 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.426 -4.306 18.472 1.00 0.00 H new ATOM 440 N MET A 30 -5.904 -3.141 18.240 1.00 0.00 N ATOM 441 CA MET A 30 -4.498 -2.947 17.857 1.00 0.00 C ATOM 442 C MET A 30 -4.109 -1.469 17.682 1.00 0.00 C ATOM 443 O MET A 30 -2.924 -1.137 17.736 1.00 0.00 O ATOM 444 CB MET A 30 -4.228 -3.669 16.531 1.00 0.00 C ATOM 445 CG MET A 30 -4.422 -5.188 16.597 1.00 0.00 C ATOM 446 SD MET A 30 -4.516 -6.007 14.979 1.00 0.00 S ATOM 447 CE MET A 30 -3.211 -5.154 14.051 1.00 0.00 C ATOM 0 H MET A 30 -6.425 -3.697 17.562 1.00 0.00 H new ATOM 0 HA MET A 30 -3.899 -3.354 18.672 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.889 -3.262 15.766 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.207 -3.457 16.215 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.598 -5.622 17.162 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.336 -5.401 17.151 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.001 -5.701 13.132 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.540 -4.144 13.805 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.307 -5.103 14.658 1.00 0.00 H new ATOM 457 N VAL A 31 -5.085 -0.575 17.478 1.00 0.00 N ATOM 458 CA VAL A 31 -4.855 0.868 17.327 1.00 0.00 C ATOM 459 C VAL A 31 -4.187 1.445 18.572 1.00 0.00 C ATOM 460 O VAL A 31 -3.088 1.984 18.471 1.00 0.00 O ATOM 461 CB VAL A 31 -6.153 1.615 16.966 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.969 3.138 16.971 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.627 1.212 15.571 1.00 0.00 C ATOM 0 H VAL A 31 -6.069 -0.836 17.412 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.170 1.014 16.492 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.886 1.341 17.725 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.912 3.619 16.711 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.657 3.464 17.963 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.207 3.415 16.243 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.545 1.748 15.330 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.858 1.461 14.839 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.816 0.139 15.547 1.00 0.00 H new ATOM 473 N GLN A 32 -4.800 1.302 19.751 1.00 0.00 N ATOM 474 CA GLN A 32 -4.270 1.854 21.008 1.00 0.00 C ATOM 475 C GLN A 32 -2.829 1.382 21.290 1.00 0.00 C ATOM 476 O GLN A 32 -1.976 2.171 21.703 1.00 0.00 O ATOM 477 CB GLN A 32 -5.195 1.503 22.190 1.00 0.00 C ATOM 478 CG GLN A 32 -6.626 2.069 22.083 1.00 0.00 C ATOM 479 CD GLN A 32 -7.584 1.183 21.282 1.00 0.00 C ATOM 480 OE1 GLN A 32 -7.957 0.091 21.688 1.00 0.00 O ATOM 481 NE2 GLN A 32 -8.021 1.619 20.119 1.00 0.00 N ATOM 0 H GLN A 32 -5.680 0.799 19.864 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.239 2.938 20.894 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.254 0.418 22.277 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.741 1.872 23.110 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.028 2.207 23.087 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.583 3.054 21.618 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.718 2.528 19.768 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.663 1.048 19.569 1.00 0.00 H new ATOM 490 N GLU A 33 -2.536 0.110 21.006 1.00 0.00 N ATOM 491 CA GLU A 33 -1.200 -0.494 21.091 1.00 0.00 C ATOM 492 C GLU A 33 -0.170 0.175 20.158 1.00 0.00 C ATOM 493 O GLU A 33 0.972 0.392 20.567 1.00 0.00 O ATOM 494 CB GLU A 33 -1.337 -1.998 20.802 1.00 0.00 C ATOM 495 CG GLU A 33 -0.023 -2.793 20.778 1.00 0.00 C ATOM 496 CD GLU A 33 0.785 -2.738 22.093 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.190 -2.597 23.189 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.031 -2.879 22.042 1.00 0.00 O ATOM 0 H GLU A 33 -3.248 -0.553 20.699 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.809 -0.337 22.096 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.992 -2.436 21.555 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.832 -2.121 19.839 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.248 -3.835 20.548 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.600 -2.415 19.968 1.00 0.00 H new ATOM 505 N ALA A 34 -0.553 0.540 18.930 1.00 0.00 N ATOM 506 CA ALA A 34 0.318 1.259 17.999 1.00 0.00 C ATOM 507 C ALA A 34 0.702 2.659 18.523 1.00 0.00 C ATOM 508 O ALA A 34 1.893 2.961 18.619 1.00 0.00 O ATOM 509 CB ALA A 34 -0.339 1.299 16.615 1.00 0.00 C ATOM 0 H ALA A 34 -1.480 0.343 18.554 1.00 0.00 H new ATOM 0 HA ALA A 34 1.262 0.721 17.911 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.308 1.834 15.920 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.494 0.281 16.256 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.299 1.810 16.683 1.00 0.00 H new ATOM 515 N ILE A 35 -0.264 3.499 18.930 1.00 0.00 N ATOM 516 CA ILE A 35 0.044 4.803 19.561 1.00 0.00 C ATOM 517 C ILE A 35 0.960 4.630 20.783 1.00 0.00 C ATOM 518 O ILE A 35 1.918 5.389 20.948 1.00 0.00 O ATOM 519 CB ILE A 35 -1.232 5.608 19.919 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.963 6.110 18.650 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.912 6.841 20.789 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.172 5.245 18.305 1.00 0.00 C ATOM 0 H ILE A 35 -1.261 3.304 18.836 1.00 0.00 H new ATOM 0 HA ILE A 35 0.583 5.390 18.818 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.869 4.919 20.474 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.286 7.140 18.802 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.269 6.114 17.810 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.834 7.375 21.016 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.441 6.519 21.718 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.234 7.501 20.249 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.654 5.634 17.408 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.847 4.220 18.126 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.880 5.262 19.134 1.00 0.00 H new ATOM 534 N ARG A 36 0.725 3.604 21.614 1.00 0.00 N ATOM 535 CA ARG A 36 1.542 3.291 22.801 1.00 0.00 C ATOM 536 C ARG A 36 3.024 2.994 22.496 1.00 0.00 C ATOM 537 O ARG A 36 3.864 3.230 23.365 1.00 0.00 O ATOM 538 CB ARG A 36 0.845 2.168 23.591 1.00 0.00 C ATOM 539 CG ARG A 36 1.540 1.839 24.919 1.00 0.00 C ATOM 540 CD ARG A 36 0.647 0.960 25.805 1.00 0.00 C ATOM 541 NE ARG A 36 1.347 0.544 27.036 1.00 0.00 N ATOM 542 CZ ARG A 36 1.613 1.270 28.109 1.00 0.00 C ATOM 543 NH1 ARG A 36 1.231 2.511 28.229 1.00 0.00 N ATOM 544 NH2 ARG A 36 2.283 0.754 29.100 1.00 0.00 N ATOM 0 H ARG A 36 -0.051 2.956 21.480 1.00 0.00 H new ATOM 0 HA ARG A 36 1.600 4.187 23.419 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.186 2.460 23.791 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.808 1.269 22.976 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.482 1.326 24.723 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.783 2.762 25.445 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.258 1.507 26.067 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.335 0.077 25.247 1.00 0.00 H new ATOM 0 HE ARG A 36 1.665 -0.425 27.063 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.706 2.958 27.478 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.458 3.035 29.074 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.604 -0.213 29.050 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.486 1.317 29.926 1.00 0.00 H new ATOM 558 N MET A 37 3.378 2.561 21.279 1.00 0.00 N ATOM 559 CA MET A 37 4.785 2.436 20.848 1.00 0.00 C ATOM 560 C MET A 37 5.448 3.771 20.440 1.00 0.00 C ATOM 561 O MET A 37 6.669 3.819 20.279 1.00 0.00 O ATOM 562 CB MET A 37 4.935 1.436 19.692 1.00 0.00 C ATOM 563 CG MET A 37 4.432 0.023 20.018 1.00 0.00 C ATOM 564 SD MET A 37 5.398 -1.335 19.285 1.00 0.00 S ATOM 565 CE MET A 37 5.651 -0.730 17.592 1.00 0.00 C ATOM 0 H MET A 37 2.703 2.287 20.565 1.00 0.00 H new ATOM 0 HA MET A 37 5.306 2.073 21.734 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.391 1.813 18.826 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.986 1.380 19.408 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.425 -0.101 21.101 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.399 -0.064 19.680 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.951 -1.559 16.951 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.723 -0.299 17.217 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.431 0.031 17.590 1.00 0.00 H new ATOM 575 N GLY A 38 4.674 4.852 20.275 1.00 0.00 N ATOM 576 CA GLY A 38 5.150 6.211 19.965 1.00 0.00 C ATOM 577 C GLY A 38 4.574 6.848 18.688 1.00 0.00 C ATOM 578 O GLY A 38 4.873 8.012 18.409 1.00 0.00 O ATOM 0 H GLY A 38 3.658 4.804 20.357 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.915 6.859 20.809 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.236 6.184 19.877 1.00 0.00 H new ATOM 582 N PHE A 39 3.766 6.122 17.906 1.00 0.00 N ATOM 583 CA PHE A 39 3.084 6.642 16.708 1.00 0.00 C ATOM 584 C PHE A 39 1.962 7.656 17.037 1.00 0.00 C ATOM 585 O PHE A 39 1.505 7.755 18.179 1.00 0.00 O ATOM 586 CB PHE A 39 2.511 5.458 15.915 1.00 0.00 C ATOM 587 CG PHE A 39 3.528 4.534 15.267 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.272 4.974 14.155 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.693 3.213 15.730 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.178 4.104 13.522 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.592 2.342 15.094 1.00 0.00 C ATOM 592 CZ PHE A 39 5.334 2.788 13.990 1.00 0.00 C ATOM 0 H PHE A 39 3.562 5.139 18.089 1.00 0.00 H new ATOM 0 HA PHE A 39 3.821 7.186 16.117 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.887 4.866 16.585 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.858 5.851 15.135 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.147 5.982 13.787 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.124 2.868 16.580 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.754 4.448 12.676 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.712 1.331 15.454 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.026 2.119 13.499 1.00 0.00 H new ATOM 602 N SER A 40 1.476 8.391 16.027 1.00 0.00 N ATOM 603 CA SER A 40 0.359 9.350 16.153 1.00 0.00 C ATOM 604 C SER A 40 -0.998 8.700 15.857 1.00 0.00 C ATOM 605 O SER A 40 -1.120 7.944 14.890 1.00 0.00 O ATOM 606 CB SER A 40 0.512 10.510 15.159 1.00 0.00 C ATOM 607 OG SER A 40 1.773 11.156 15.240 1.00 0.00 O ATOM 0 H SER A 40 1.852 8.338 15.080 1.00 0.00 H new ATOM 0 HA SER A 40 0.392 9.703 17.184 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.369 10.133 14.146 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.275 11.241 15.341 1.00 0.00 H new ATOM 0 HG SER A 40 1.811 11.883 14.584 1.00 0.00 H new ATOM 613 N PHE A 41 -2.056 9.083 16.587 1.00 0.00 N ATOM 614 CA PHE A 41 -3.446 8.671 16.307 1.00 0.00 C ATOM 615 C PHE A 41 -3.854 8.911 14.843 1.00 0.00 C ATOM 616 O PHE A 41 -4.391 8.006 14.199 1.00 0.00 O ATOM 617 CB PHE A 41 -4.426 9.370 17.272 1.00 0.00 C ATOM 618 CG PHE A 41 -4.809 8.553 18.495 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.754 7.517 18.370 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.247 8.832 19.757 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.127 6.757 19.494 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.618 8.068 20.880 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.556 7.029 20.749 1.00 0.00 C ATOM 0 H PHE A 41 -1.973 9.695 17.399 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.496 7.595 16.472 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.980 10.308 17.604 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.333 9.625 16.724 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.195 7.305 17.407 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.531 9.633 19.863 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.853 5.964 19.392 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.181 8.281 21.844 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.837 6.441 21.611 1.00 0.00 H new ATOM 633 N LYS A 42 -3.547 10.100 14.297 1.00 0.00 N ATOM 634 CA LYS A 42 -3.844 10.494 12.903 1.00 0.00 C ATOM 635 C LYS A 42 -3.120 9.676 11.827 1.00 0.00 C ATOM 636 O LYS A 42 -3.476 9.768 10.654 1.00 0.00 O ATOM 637 CB LYS A 42 -3.667 12.018 12.722 1.00 0.00 C ATOM 638 CG LYS A 42 -2.230 12.580 12.712 1.00 0.00 C ATOM 639 CD LYS A 42 -1.504 12.458 11.357 1.00 0.00 C ATOM 640 CE LYS A 42 -0.189 13.251 11.264 1.00 0.00 C ATOM 641 NZ LYS A 42 0.879 12.722 12.157 1.00 0.00 N ATOM 0 H LYS A 42 -3.074 10.834 14.823 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.892 10.246 12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.144 12.301 11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.216 12.516 13.521 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.263 13.631 12.999 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.645 12.061 13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.293 11.406 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.175 12.798 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.166 13.234 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.382 14.293 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.709 13.347 12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.526 12.683 13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.148 11.766 11.848 1.00 0.00 H new ATOM 655 N ASP A 43 -2.113 8.879 12.187 1.00 0.00 N ATOM 656 CA ASP A 43 -1.441 7.949 11.272 1.00 0.00 C ATOM 657 C ASP A 43 -2.001 6.529 11.375 1.00 0.00 C ATOM 658 O ASP A 43 -2.152 5.879 10.340 1.00 0.00 O ATOM 659 CB ASP A 43 0.081 7.996 11.468 1.00 0.00 C ATOM 660 CG ASP A 43 0.653 9.341 11.000 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.356 9.760 9.857 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.344 10.020 11.792 1.00 0.00 O ATOM 0 H ASP A 43 -1.735 8.859 13.134 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.649 8.277 10.254 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.321 7.841 12.520 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.549 7.184 10.911 1.00 0.00 H new ATOM 667 N ILE A 44 -2.401 6.063 12.566 1.00 0.00 N ATOM 668 CA ILE A 44 -3.025 4.736 12.700 1.00 0.00 C ATOM 669 C ILE A 44 -4.410 4.706 12.041 1.00 0.00 C ATOM 670 O ILE A 44 -4.686 3.831 11.219 1.00 0.00 O ATOM 671 CB ILE A 44 -3.131 4.238 14.157 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.957 4.596 15.088 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.294 2.708 14.107 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.563 4.298 14.546 1.00 0.00 C ATOM 0 H ILE A 44 -2.306 6.577 13.442 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.354 4.051 12.181 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.985 4.755 14.595 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.015 5.659 15.322 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.084 4.056 16.026 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.373 2.317 15.121 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.197 2.456 13.550 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.428 2.266 13.614 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.184 4.590 15.284 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.473 3.231 14.340 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.403 4.860 13.626 1.00 0.00 H new ATOM 686 N LYS A 45 -5.278 5.682 12.354 1.00 0.00 N ATOM 687 CA LYS A 45 -6.607 5.807 11.724 1.00 0.00 C ATOM 688 C LYS A 45 -6.497 5.872 10.195 1.00 0.00 C ATOM 689 O LYS A 45 -7.226 5.173 9.493 1.00 0.00 O ATOM 690 CB LYS A 45 -7.402 6.982 12.339 1.00 0.00 C ATOM 691 CG LYS A 45 -6.850 8.393 12.048 1.00 0.00 C ATOM 692 CD LYS A 45 -7.390 9.043 10.759 1.00 0.00 C ATOM 693 CE LYS A 45 -8.684 9.835 10.964 1.00 0.00 C ATOM 694 NZ LYS A 45 -8.428 11.168 11.566 1.00 0.00 N ATOM 0 H LYS A 45 -5.082 6.404 13.047 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.182 4.906 11.940 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.428 6.932 11.974 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.441 6.843 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.085 9.042 12.892 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.763 8.337 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.628 9.708 10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.565 8.265 10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.189 9.960 10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.358 9.269 11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.329 11.672 11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.969 11.049 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.806 11.718 10.940 1.00 0.00 H new ATOM 708 N LYS A 46 -5.539 6.667 9.692 1.00 0.00 N ATOM 709 CA LYS A 46 -5.269 6.873 8.264 1.00 0.00 C ATOM 710 C LYS A 46 -4.800 5.586 7.594 1.00 0.00 C ATOM 711 O LYS A 46 -5.401 5.172 6.606 1.00 0.00 O ATOM 712 CB LYS A 46 -4.279 8.034 8.072 1.00 0.00 C ATOM 713 CG LYS A 46 -3.995 8.309 6.585 1.00 0.00 C ATOM 714 CD LYS A 46 -3.226 9.613 6.313 1.00 0.00 C ATOM 715 CE LYS A 46 -1.835 9.657 6.964 1.00 0.00 C ATOM 716 NZ LYS A 46 -1.861 10.276 8.314 1.00 0.00 N ATOM 0 H LYS A 46 -4.910 7.202 10.291 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.199 7.151 7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.681 8.934 8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.344 7.802 8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.425 7.474 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.943 8.342 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.118 9.743 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.815 10.455 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.440 8.644 7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.154 10.218 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.906 10.252 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.180 11.263 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.515 9.747 8.926 1.00 0.00 H new ATOM 730 N ILE A 47 -3.754 4.939 8.116 1.00 0.00 N ATOM 731 CA ILE A 47 -3.233 3.713 7.502 1.00 0.00 C ATOM 732 C ILE A 47 -4.271 2.583 7.505 1.00 0.00 C ATOM 733 O ILE A 47 -4.354 1.850 6.525 1.00 0.00 O ATOM 734 CB ILE A 47 -1.872 3.297 8.100 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.091 2.495 7.041 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.991 2.524 9.425 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.360 2.218 7.438 1.00 0.00 C ATOM 0 H ILE A 47 -3.255 5.239 8.954 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.038 3.934 6.453 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.327 4.205 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.599 1.547 6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.104 3.043 6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.996 2.265 9.786 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.495 3.146 10.165 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.567 1.613 9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.851 1.650 6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.884 3.163 7.585 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.381 1.644 8.364 1.00 0.00 H new ATOM 749 N MET A 48 -5.114 2.476 8.541 1.00 0.00 N ATOM 750 CA MET A 48 -6.226 1.521 8.567 1.00 0.00 C ATOM 751 C MET A 48 -7.312 1.832 7.532 1.00 0.00 C ATOM 752 O MET A 48 -7.641 0.952 6.738 1.00 0.00 O ATOM 753 CB MET A 48 -6.834 1.403 9.968 1.00 0.00 C ATOM 754 CG MET A 48 -5.884 0.657 10.901 1.00 0.00 C ATOM 755 SD MET A 48 -6.653 0.060 12.423 1.00 0.00 S ATOM 756 CE MET A 48 -5.458 -1.241 12.819 1.00 0.00 C ATOM 0 H MET A 48 -5.043 3.049 9.382 1.00 0.00 H new ATOM 0 HA MET A 48 -5.796 0.558 8.293 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.039 2.396 10.367 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.788 0.878 9.914 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.459 -0.192 10.365 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.056 1.317 11.161 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.484 -1.446 13.889 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.712 -2.148 12.270 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.457 -0.914 12.537 1.00 0.00 H new ATOM 766 N GLU A 49 -7.876 3.048 7.499 1.00 0.00 N ATOM 767 CA GLU A 49 -8.908 3.377 6.498 1.00 0.00 C ATOM 768 C GLU A 49 -8.385 3.247 5.053 1.00 0.00 C ATOM 769 O GLU A 49 -9.106 2.767 4.175 1.00 0.00 O ATOM 770 CB GLU A 49 -9.581 4.739 6.774 1.00 0.00 C ATOM 771 CG GLU A 49 -8.742 5.979 6.427 1.00 0.00 C ATOM 772 CD GLU A 49 -9.470 7.302 6.750 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.599 7.524 6.243 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.894 8.166 7.457 1.00 0.00 O ATOM 0 H GLU A 49 -7.643 3.808 8.138 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.693 2.628 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.513 4.784 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.845 4.786 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.802 5.942 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.491 5.957 5.367 1.00 0.00 H new ATOM 781 N GLU A 50 -7.111 3.583 4.810 1.00 0.00 N ATOM 782 CA GLU A 50 -6.428 3.362 3.531 1.00 0.00 C ATOM 783 C GLU A 50 -6.265 1.861 3.222 1.00 0.00 C ATOM 784 O GLU A 50 -6.645 1.414 2.141 1.00 0.00 O ATOM 785 CB GLU A 50 -5.070 4.088 3.526 1.00 0.00 C ATOM 786 CG GLU A 50 -4.573 4.426 2.114 1.00 0.00 C ATOM 787 CD GLU A 50 -5.165 5.760 1.609 1.00 0.00 C ATOM 788 OE1 GLU A 50 -6.349 5.794 1.193 1.00 0.00 O ATOM 789 OE2 GLU A 50 -4.447 6.790 1.620 1.00 0.00 O ATOM 0 H GLU A 50 -6.516 4.024 5.511 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.048 3.780 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.154 5.008 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.329 3.464 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.485 4.487 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.846 3.623 1.429 1.00 0.00 H new ATOM 796 N LYS A 51 -5.754 1.056 4.166 1.00 0.00 N ATOM 797 CA LYS A 51 -5.594 -0.407 4.046 1.00 0.00 C ATOM 798 C LYS A 51 -6.907 -1.104 3.692 1.00 0.00 C ATOM 799 O LYS A 51 -6.935 -1.895 2.750 1.00 0.00 O ATOM 800 CB LYS A 51 -4.984 -0.966 5.347 1.00 0.00 C ATOM 801 CG LYS A 51 -4.866 -2.497 5.412 1.00 0.00 C ATOM 802 CD LYS A 51 -3.875 -3.088 4.401 1.00 0.00 C ATOM 803 CE LYS A 51 -3.809 -4.608 4.589 1.00 0.00 C ATOM 804 NZ LYS A 51 -2.822 -5.237 3.674 1.00 0.00 N ATOM 0 H LYS A 51 -5.429 1.414 5.064 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.913 -0.612 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.991 -0.536 5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.591 -0.629 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.560 -2.786 6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.849 -2.935 5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.188 -2.849 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.887 -2.649 4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.543 -4.835 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.794 -5.039 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.808 -6.265 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.089 -5.042 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.877 -4.845 3.860 1.00 0.00 H new ATOM 818 N ILE A 52 -7.993 -0.812 4.411 1.00 0.00 N ATOM 819 CA ILE A 52 -9.324 -1.386 4.152 1.00 0.00 C ATOM 820 C ILE A 52 -9.798 -1.036 2.729 1.00 0.00 C ATOM 821 O ILE A 52 -10.264 -1.917 2.008 1.00 0.00 O ATOM 822 CB ILE A 52 -10.344 -0.935 5.224 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.924 -1.389 6.643 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.741 -1.513 4.919 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.616 -0.588 7.757 1.00 0.00 C ATOM 0 H ILE A 52 -7.977 -0.164 5.199 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.249 -2.471 4.218 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.372 0.154 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.157 -2.447 6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.844 -1.287 6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.445 -1.185 5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.075 -1.161 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.691 -2.602 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.282 -0.952 8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.362 0.467 7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.696 -0.710 7.676 1.00 0.00 H new ATOM 837 N GLN A 53 -9.646 0.223 2.301 1.00 0.00 N ATOM 838 CA GLN A 53 -10.014 0.690 0.958 1.00 0.00 C ATOM 839 C GLN A 53 -9.187 0.014 -0.158 1.00 0.00 C ATOM 840 O GLN A 53 -9.751 -0.494 -1.130 1.00 0.00 O ATOM 841 CB GLN A 53 -9.881 2.225 0.928 1.00 0.00 C ATOM 842 CG GLN A 53 -10.373 2.886 -0.371 1.00 0.00 C ATOM 843 CD GLN A 53 -11.861 2.657 -0.634 1.00 0.00 C ATOM 844 OE1 GLN A 53 -12.261 1.919 -1.526 1.00 0.00 O ATOM 845 NE2 GLN A 53 -12.746 3.268 0.128 1.00 0.00 N ATOM 0 H GLN A 53 -9.257 0.960 2.889 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.046 0.405 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.440 2.641 1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.834 2.489 1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.180 3.958 -0.322 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.798 2.496 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.434 3.887 0.876 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.743 3.122 -0.031 1.00 0.00 H new ATOM 854 N ILE A 54 -7.856 0.013 -0.034 1.00 0.00 N ATOM 855 CA ILE A 54 -6.900 -0.497 -1.032 1.00 0.00 C ATOM 856 C ILE A 54 -6.894 -2.037 -1.103 1.00 0.00 C ATOM 857 O ILE A 54 -6.997 -2.606 -2.191 1.00 0.00 O ATOM 858 CB ILE A 54 -5.488 0.075 -0.732 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.425 1.616 -0.888 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.385 -0.578 -1.585 1.00 0.00 C ATOM 861 CD1 ILE A 54 -5.550 2.163 -2.317 1.00 0.00 C ATOM 0 H ILE A 54 -7.393 0.382 0.797 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.216 -0.157 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.300 -0.173 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.220 2.053 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.480 1.963 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.421 -0.138 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.358 -1.650 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.594 -0.409 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.492 3.251 -2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.740 1.768 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.507 1.859 -2.740 1.00 0.00 H new ATOM 873 N SER A 55 -6.745 -2.716 0.041 1.00 0.00 N ATOM 874 CA SER A 55 -6.525 -4.171 0.143 1.00 0.00 C ATOM 875 C SER A 55 -7.823 -4.979 0.299 1.00 0.00 C ATOM 876 O SER A 55 -7.972 -6.035 -0.322 1.00 0.00 O ATOM 877 CB SER A 55 -5.587 -4.438 1.328 1.00 0.00 C ATOM 878 OG SER A 55 -5.135 -5.781 1.382 1.00 0.00 O ATOM 0 H SER A 55 -6.775 -2.257 0.952 1.00 0.00 H new ATOM 0 HA SER A 55 -6.079 -4.505 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.726 -3.773 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.105 -4.197 2.256 1.00 0.00 H new ATOM 0 HG SER A 55 -4.969 -6.033 2.314 1.00 0.00 H new ATOM 884 N GLY A 56 -8.776 -4.482 1.099 1.00 0.00 N ATOM 885 CA GLY A 56 -10.110 -5.069 1.317 1.00 0.00 C ATOM 886 C GLY A 56 -10.401 -5.531 2.754 1.00 0.00 C ATOM 887 O GLY A 56 -11.568 -5.723 3.106 1.00 0.00 O ATOM 0 H GLY A 56 -8.635 -3.625 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.863 -4.334 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.226 -5.922 0.649 1.00 0.00 H new ATOM 891 N SER A 57 -9.371 -5.674 3.597 1.00 0.00 N ATOM 892 CA SER A 57 -9.461 -6.087 5.011 1.00 0.00 C ATOM 893 C SER A 57 -8.501 -5.271 5.884 1.00 0.00 C ATOM 894 O SER A 57 -7.416 -4.904 5.429 1.00 0.00 O ATOM 895 CB SER A 57 -9.104 -7.575 5.164 1.00 0.00 C ATOM 896 OG SER A 57 -9.966 -8.413 4.405 1.00 0.00 O ATOM 0 H SER A 57 -8.410 -5.499 3.304 1.00 0.00 H new ATOM 0 HA SER A 57 -10.488 -5.914 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.073 -7.734 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.161 -7.855 6.216 1.00 0.00 H new ATOM 0 HG SER A 57 -9.704 -9.349 4.529 1.00 0.00 H new ATOM 902 N ASN A 58 -8.871 -5.004 7.142 1.00 0.00 N ATOM 903 CA ASN A 58 -7.994 -4.327 8.105 1.00 0.00 C ATOM 904 C ASN A 58 -6.870 -5.259 8.619 1.00 0.00 C ATOM 905 O ASN A 58 -6.928 -6.482 8.457 1.00 0.00 O ATOM 906 CB ASN A 58 -8.850 -3.765 9.263 1.00 0.00 C ATOM 907 CG ASN A 58 -8.200 -2.589 9.981 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.101 -2.155 9.671 1.00 0.00 O ATOM 909 ND2 ASN A 58 -8.867 -2.015 10.953 1.00 0.00 N ATOM 0 H ASN A 58 -9.785 -5.251 7.521 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.492 -3.500 7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.818 -3.452 8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.040 -4.561 9.983 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.467 -1.214 11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.785 -2.369 11.220 1.00 0.00 H new ATOM 916 N TYR A 59 -5.860 -4.688 9.279 1.00 0.00 N ATOM 917 CA TYR A 59 -4.771 -5.421 9.931 1.00 0.00 C ATOM 918 C TYR A 59 -5.270 -6.283 11.110 1.00 0.00 C ATOM 919 O TYR A 59 -6.122 -5.844 11.891 1.00 0.00 O ATOM 920 CB TYR A 59 -3.718 -4.416 10.417 1.00 0.00 C ATOM 921 CG TYR A 59 -3.125 -3.539 9.327 1.00 0.00 C ATOM 922 CD1 TYR A 59 -2.240 -4.095 8.386 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.454 -2.172 9.254 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.653 -3.280 7.400 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.883 -1.356 8.258 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.966 -1.906 7.338 1.00 0.00 C ATOM 927 OH TYR A 59 -1.409 -1.122 6.378 1.00 0.00 O ATOM 0 H TYR A 59 -5.774 -3.676 9.378 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.335 -6.105 9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.170 -3.775 11.174 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.910 -4.963 10.903 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.010 -5.150 8.420 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.147 -1.747 9.965 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.961 -3.708 6.689 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.147 -0.310 8.199 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.800 -1.659 5.829 1.00 0.00 H new ATOM 937 N LYS A 60 -4.694 -7.488 11.264 1.00 0.00 N ATOM 938 CA LYS A 60 -5.005 -8.470 12.329 1.00 0.00 C ATOM 939 C LYS A 60 -3.815 -8.872 13.219 1.00 0.00 C ATOM 940 O LYS A 60 -4.013 -9.584 14.207 1.00 0.00 O ATOM 941 CB LYS A 60 -5.659 -9.721 11.713 1.00 0.00 C ATOM 942 CG LYS A 60 -7.105 -9.473 11.248 1.00 0.00 C ATOM 943 CD LYS A 60 -7.839 -10.793 10.957 1.00 0.00 C ATOM 944 CE LYS A 60 -7.246 -11.541 9.755 1.00 0.00 C ATOM 945 NZ LYS A 60 -7.803 -12.915 9.642 1.00 0.00 N ATOM 0 H LYS A 60 -3.970 -7.822 10.628 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.697 -7.961 12.999 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.062 -10.056 10.865 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.652 -10.527 12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.644 -8.917 12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.098 -8.854 10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.793 -11.433 11.838 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.892 -10.586 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.454 -10.986 8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.162 -11.593 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.382 -13.394 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.582 -13.451 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.835 -12.863 9.521 1.00 0.00 H new ATOM 959 N SER A 61 -2.603 -8.405 12.912 1.00 0.00 N ATOM 960 CA SER A 61 -1.390 -8.624 13.718 1.00 0.00 C ATOM 961 C SER A 61 -0.579 -7.334 13.848 1.00 0.00 C ATOM 962 O SER A 61 -0.508 -6.537 12.911 1.00 0.00 O ATOM 963 CB SER A 61 -0.510 -9.720 13.097 1.00 0.00 C ATOM 964 OG SER A 61 -1.208 -10.953 12.983 1.00 0.00 O ATOM 0 H SER A 61 -2.429 -7.849 12.075 1.00 0.00 H new ATOM 0 HA SER A 61 -1.710 -8.943 14.710 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.172 -9.400 12.111 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.381 -9.861 13.709 1.00 0.00 H new ATOM 0 HG SER A 61 -0.619 -11.626 12.583 1.00 0.00 H new ATOM 970 N LEU A 62 0.065 -7.142 15.004 1.00 0.00 N ATOM 971 CA LEU A 62 0.916 -5.981 15.299 1.00 0.00 C ATOM 972 C LEU A 62 2.027 -5.828 14.252 1.00 0.00 C ATOM 973 O LEU A 62 2.219 -4.737 13.729 1.00 0.00 O ATOM 974 CB LEU A 62 1.515 -6.125 16.714 1.00 0.00 C ATOM 975 CG LEU A 62 0.633 -5.631 17.880 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.809 -6.142 17.853 1.00 0.00 C ATOM 977 CD2 LEU A 62 1.272 -6.086 19.193 1.00 0.00 C ATOM 0 H LEU A 62 0.009 -7.803 15.779 1.00 0.00 H new ATOM 0 HA LEU A 62 0.303 -5.080 15.260 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.748 -7.176 16.882 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.459 -5.581 16.744 1.00 0.00 H new ATOM 0 HG LEU A 62 0.580 -4.547 17.783 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.352 -5.743 18.710 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.293 -5.816 16.932 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.810 -7.231 17.898 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.663 -5.746 20.031 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.336 -7.174 19.209 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.273 -5.662 19.277 1.00 0.00 H new ATOM 989 N GLU A 63 2.715 -6.924 13.915 1.00 0.00 N ATOM 990 CA GLU A 63 3.849 -6.961 12.979 1.00 0.00 C ATOM 991 C GLU A 63 3.538 -6.289 11.632 1.00 0.00 C ATOM 992 O GLU A 63 4.249 -5.368 11.228 1.00 0.00 O ATOM 993 CB GLU A 63 4.304 -8.413 12.752 1.00 0.00 C ATOM 994 CG GLU A 63 4.860 -9.102 14.006 1.00 0.00 C ATOM 995 CD GLU A 63 6.143 -8.421 14.526 1.00 0.00 C ATOM 996 OE1 GLU A 63 7.219 -8.586 13.902 1.00 0.00 O ATOM 997 OE2 GLU A 63 6.086 -7.722 15.566 1.00 0.00 O ATOM 0 H GLU A 63 2.492 -7.842 14.298 1.00 0.00 H new ATOM 0 HA GLU A 63 4.654 -6.389 13.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.460 -8.992 12.377 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.069 -8.425 11.975 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.103 -9.092 14.790 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.072 -10.147 13.780 1.00 0.00 H new ATOM 1004 N VAL A 64 2.473 -6.718 10.941 1.00 0.00 N ATOM 1005 CA VAL A 64 2.064 -6.132 9.651 1.00 0.00 C ATOM 1006 C VAL A 64 1.635 -4.664 9.792 1.00 0.00 C ATOM 1007 O VAL A 64 1.992 -3.845 8.943 1.00 0.00 O ATOM 1008 CB VAL A 64 1.005 -7.002 8.939 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -0.305 -7.168 9.718 1.00 0.00 C ATOM 1010 CG2 VAL A 64 0.696 -6.482 7.532 1.00 0.00 C ATOM 0 H VAL A 64 1.871 -7.478 11.257 1.00 0.00 H new ATOM 0 HA VAL A 64 2.942 -6.126 9.005 1.00 0.00 H new ATOM 0 HB VAL A 64 1.465 -7.988 8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.992 -7.792 9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.100 -7.640 10.679 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.756 -6.190 9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.053 -7.121 7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.315 -5.463 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.606 -6.492 6.932 1.00 0.00 H new ATOM 1020 N LEU A 65 0.940 -4.304 10.880 1.00 0.00 N ATOM 1021 CA LEU A 65 0.519 -2.927 11.160 1.00 0.00 C ATOM 1022 C LEU A 65 1.746 -2.000 11.300 1.00 0.00 C ATOM 1023 O LEU A 65 1.860 -1.002 10.590 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.371 -2.893 12.426 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.510 -1.847 12.458 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.805 -1.474 13.913 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.256 -0.545 11.697 1.00 0.00 C ATOM 0 H LEU A 65 0.652 -4.969 11.597 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.072 -2.558 10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.815 -3.880 12.554 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.273 -2.718 13.288 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.341 -2.338 11.952 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.607 -0.737 13.944 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.109 -2.365 14.462 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.909 -1.055 14.370 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.124 0.107 11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.380 -0.046 12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.083 -0.767 10.644 1.00 0.00 H new ATOM 1039 N VAL A 66 2.678 -2.331 12.204 1.00 0.00 N ATOM 1040 CA VAL A 66 3.861 -1.505 12.510 1.00 0.00 C ATOM 1041 C VAL A 66 4.876 -1.474 11.367 1.00 0.00 C ATOM 1042 O VAL A 66 5.462 -0.421 11.118 1.00 0.00 O ATOM 1043 CB VAL A 66 4.529 -1.865 13.854 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.504 -1.822 14.998 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.263 -3.211 13.857 1.00 0.00 C ATOM 0 H VAL A 66 2.634 -3.190 12.752 1.00 0.00 H new ATOM 0 HA VAL A 66 3.475 -0.492 12.620 1.00 0.00 H new ATOM 0 HB VAL A 66 5.295 -1.105 14.007 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.995 -2.079 15.937 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.083 -0.819 15.071 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.706 -2.537 14.799 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.702 -3.384 14.840 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.558 -4.010 13.629 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.052 -3.197 13.105 1.00 0.00 H new ATOM 1055 N ALA A 67 5.045 -2.576 10.625 1.00 0.00 N ATOM 1056 CA ALA A 67 5.855 -2.615 9.407 1.00 0.00 C ATOM 1057 C ALA A 67 5.309 -1.654 8.335 1.00 0.00 C ATOM 1058 O ALA A 67 6.062 -0.857 7.774 1.00 0.00 O ATOM 1059 CB ALA A 67 5.921 -4.054 8.884 1.00 0.00 C ATOM 0 H ALA A 67 4.618 -3.473 10.858 1.00 0.00 H new ATOM 0 HA ALA A 67 6.864 -2.279 9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.524 -4.084 7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.372 -4.696 9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.914 -4.407 8.662 1.00 0.00 H new ATOM 1065 N ASP A 68 3.999 -1.693 8.071 1.00 0.00 N ATOM 1066 CA ASP A 68 3.354 -0.763 7.141 1.00 0.00 C ATOM 1067 C ASP A 68 3.417 0.691 7.643 1.00 0.00 C ATOM 1068 O ASP A 68 3.682 1.578 6.835 1.00 0.00 O ATOM 1069 CB ASP A 68 1.910 -1.197 6.841 1.00 0.00 C ATOM 1070 CG ASP A 68 1.789 -2.306 5.775 1.00 0.00 C ATOM 1071 OD1 ASP A 68 2.772 -3.030 5.480 1.00 0.00 O ATOM 1072 OD2 ASP A 68 0.688 -2.427 5.185 1.00 0.00 O ATOM 0 H ASP A 68 3.360 -2.366 8.494 1.00 0.00 H new ATOM 0 HA ASP A 68 3.913 -0.796 6.206 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.448 -1.545 7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.343 -0.327 6.510 1.00 0.00 H new ATOM 1077 N LEU A 69 3.261 0.958 8.947 1.00 0.00 N ATOM 1078 CA LEU A 69 3.439 2.295 9.542 1.00 0.00 C ATOM 1079 C LEU A 69 4.838 2.872 9.278 1.00 0.00 C ATOM 1080 O LEU A 69 4.941 3.955 8.694 1.00 0.00 O ATOM 1081 CB LEU A 69 3.145 2.269 11.053 1.00 0.00 C ATOM 1082 CG LEU A 69 1.651 2.260 11.415 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.475 1.822 12.868 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.027 3.651 11.267 1.00 0.00 C ATOM 0 H LEU A 69 3.004 0.244 9.629 1.00 0.00 H new ATOM 0 HA LEU A 69 2.720 2.953 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.615 1.386 11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.612 3.138 11.516 1.00 0.00 H new ATOM 0 HG LEU A 69 1.156 1.569 10.733 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.415 1.817 13.121 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.884 0.820 12.998 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.001 2.516 13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.030 3.606 11.531 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.537 4.351 11.929 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.129 3.988 10.235 1.00 0.00 H new ATOM 1096 N VAL A 70 5.914 2.172 9.675 1.00 0.00 N ATOM 1097 CA VAL A 70 7.293 2.660 9.453 1.00 0.00 C ATOM 1098 C VAL A 70 7.665 2.780 7.972 1.00 0.00 C ATOM 1099 O VAL A 70 8.582 3.530 7.645 1.00 0.00 O ATOM 1100 CB VAL A 70 8.387 1.863 10.194 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.150 1.849 11.705 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.563 0.422 9.703 1.00 0.00 C ATOM 0 H VAL A 70 5.860 1.271 10.149 1.00 0.00 H new ATOM 0 HA VAL A 70 7.267 3.658 9.890 1.00 0.00 H new ATOM 0 HB VAL A 70 9.309 2.396 9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.941 1.278 12.192 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.154 2.871 12.083 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.186 1.387 11.918 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.351 -0.064 10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.629 -0.124 9.834 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.835 0.428 8.647 1.00 0.00 H new ATOM 1112 N ASN A 71 6.960 2.091 7.069 1.00 0.00 N ATOM 1113 CA ASN A 71 7.120 2.230 5.621 1.00 0.00 C ATOM 1114 C ASN A 71 6.335 3.433 5.057 1.00 0.00 C ATOM 1115 O ASN A 71 6.896 4.254 4.333 1.00 0.00 O ATOM 1116 CB ASN A 71 6.713 0.902 4.959 1.00 0.00 C ATOM 1117 CG ASN A 71 7.101 0.851 3.489 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.228 1.136 3.109 1.00 0.00 O ATOM 1119 ND2 ASN A 71 6.192 0.484 2.613 1.00 0.00 N ATOM 0 H ASN A 71 6.249 1.408 7.331 1.00 0.00 H new ATOM 0 HA ASN A 71 8.164 2.441 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.187 0.074 5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.636 0.766 5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.428 0.438 1.622 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.251 0.245 2.925 1.00 0.00 H new ATOM 1126 N ALA A 72 5.050 3.569 5.399 1.00 0.00 N ATOM 1127 CA ALA A 72 4.150 4.617 4.907 1.00 0.00 C ATOM 1128 C ALA A 72 4.581 6.043 5.308 1.00 0.00 C ATOM 1129 O ALA A 72 4.338 6.993 4.561 1.00 0.00 O ATOM 1130 CB ALA A 72 2.733 4.318 5.414 1.00 0.00 C ATOM 0 H ALA A 72 4.592 2.930 6.049 1.00 0.00 H new ATOM 0 HA ALA A 72 4.186 4.600 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.049 5.088 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.411 3.346 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.731 4.308 6.504 1.00 0.00 H new ATOM 1136 N GLN A 73 5.235 6.202 6.465 1.00 0.00 N ATOM 1137 CA GLN A 73 5.772 7.489 6.930 1.00 0.00 C ATOM 1138 C GLN A 73 7.033 7.969 6.176 1.00 0.00 C ATOM 1139 O GLN A 73 7.427 9.130 6.328 1.00 0.00 O ATOM 1140 CB GLN A 73 6.023 7.425 8.444 1.00 0.00 C ATOM 1141 CG GLN A 73 7.187 6.502 8.843 1.00 0.00 C ATOM 1142 CD GLN A 73 7.401 6.460 10.355 1.00 0.00 C ATOM 1143 OE1 GLN A 73 6.488 6.591 11.159 1.00 0.00 O ATOM 1144 NE2 GLN A 73 8.628 6.321 10.806 1.00 0.00 N ATOM 0 H GLN A 73 5.409 5.433 7.112 1.00 0.00 H new ATOM 0 HA GLN A 73 5.013 8.239 6.706 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.227 8.431 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.114 7.083 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.990 5.494 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.101 6.844 8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.402 6.211 10.151 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.806 6.324 11.810 1.00 0.00 H new