USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 561 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 73 THR OG1 : rot 51:sc= -3.24! USER MOD Set 1.2: A 77 ASN : amide:sc= -6.27! C(o=-9.5!,f=-11!) USER MOD Set 2.1: A 56 MET CE :methyl -158:sc= -2.98 (180deg=-5.25!) USER MOD Set 2.2: A 64 MET CE :methyl -139:sc= -1.17 (180deg=-3.05!) USER MOD Set 3.1: A 43 TYR OH : rot 130:sc= -0.463 USER MOD Set 3.2: A 84 HIS : no HD1:sc= -3.35! C(o=-3.8!,f=-3.9!) USER MOD Single : A 25 THR OG1 : rot 43:sc= 0.0862 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 29 GLN : amide:sc= -0.469 K(o=-0.47,f=-6.7!) USER MOD Single : A 31 HIS : no HD1:sc= -2.07! X(o=-2.1!,f=-2.5) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -71:sc= 0.432 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0.087) USER MOD Single : A 55 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= -1.12 (180deg=-2.21) USER MOD Single : A 62 CYS SG : rot 65:sc= -0.561 USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= 0.305 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.294 K(o=-0.29,f=-0.93) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.323) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 86:sc= 1.1 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -86:sc= 0.854 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.588 13.394 22.580 1.00 0.00 N ATOM 266 CA VAL A 20 5.227 12.809 23.865 1.00 0.00 C ATOM 267 C VAL A 20 6.419 12.789 24.815 1.00 0.00 C ATOM 268 O VAL A 20 7.577 12.777 24.397 1.00 0.00 O ATOM 269 CB VAL A 20 4.693 11.374 23.698 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.305 11.389 23.076 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.653 10.543 22.859 1.00 0.00 C ATOM 0 HA VAL A 20 4.441 13.435 24.288 1.00 0.00 H new ATOM 0 HB VAL A 20 4.618 10.916 24.684 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.945 10.366 22.966 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.624 11.947 23.719 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.350 11.865 22.096 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.260 9.532 22.751 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.762 10.997 21.874 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.625 10.504 23.350 1.00 0.00 H new ATOM 281 N PRO A 21 6.132 12.784 26.125 1.00 0.00 N ATOM 282 CA PRO A 21 7.167 12.764 27.162 1.00 0.00 C ATOM 283 C PRO A 21 7.905 11.431 27.219 1.00 0.00 C ATOM 284 O PRO A 21 7.354 10.390 26.863 1.00 0.00 O ATOM 285 CB PRO A 21 6.380 12.995 28.454 1.00 0.00 C ATOM 286 CG PRO A 21 5.005 12.508 28.152 1.00 0.00 C ATOM 287 CD PRO A 21 4.774 12.797 26.695 1.00 0.00 C ATOM 0 HA PRO A 21 7.941 13.510 26.979 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.819 12.448 29.288 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.375 14.049 28.731 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.915 11.441 28.357 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.266 13.015 28.772 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.137 12.044 26.232 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.286 13.761 26.549 1.00 0.00 H new ATOM 295 N ALA A 22 9.155 11.470 27.670 1.00 0.00 N ATOM 296 CA ALA A 22 9.967 10.264 27.776 1.00 0.00 C ATOM 297 C ALA A 22 9.227 9.169 28.538 1.00 0.00 C ATOM 298 O ALA A 22 8.855 8.145 27.965 1.00 0.00 O ATOM 299 CB ALA A 22 11.292 10.578 28.454 1.00 0.00 C ATOM 0 H ALA A 22 9.627 12.324 27.968 1.00 0.00 H new ATOM 0 HA ALA A 22 10.165 9.899 26.768 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.888 9.668 28.527 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.833 11.321 27.868 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.105 10.970 29.454 1.00 0.00 H new ATOM 305 N ASP A 23 9.018 9.393 29.830 1.00 0.00 N ATOM 306 CA ASP A 23 8.323 8.425 30.671 1.00 0.00 C ATOM 307 C ASP A 23 7.004 8.000 30.032 1.00 0.00 C ATOM 308 O ASP A 23 6.042 8.765 29.969 1.00 0.00 O ATOM 309 CB ASP A 23 8.065 9.014 32.058 1.00 0.00 C ATOM 310 CG ASP A 23 9.022 8.474 33.103 1.00 0.00 C ATOM 311 OD1 ASP A 23 10.173 8.150 32.743 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.620 8.377 34.281 1.00 0.00 O ATOM 0 H ASP A 23 9.320 10.236 30.318 1.00 0.00 H new ATOM 0 HA ASP A 23 8.959 7.545 30.772 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.157 10.099 32.012 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.041 8.793 32.359 1.00 0.00 H new ATOM 317 N PRO A 24 6.957 6.750 29.547 1.00 0.00 N ATOM 318 CA PRO A 24 5.762 6.195 28.905 1.00 0.00 C ATOM 319 C PRO A 24 4.628 5.958 29.896 1.00 0.00 C ATOM 320 O PRO A 24 3.470 5.800 29.506 1.00 0.00 O ATOM 321 CB PRO A 24 6.255 4.866 28.327 1.00 0.00 C ATOM 322 CG PRO A 24 7.416 4.490 29.181 1.00 0.00 C ATOM 323 CD PRO A 24 8.066 5.783 29.589 1.00 0.00 C ATOM 0 HA PRO A 24 5.348 6.873 28.158 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.475 4.105 28.362 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.549 4.973 27.283 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.091 3.924 30.054 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.115 3.858 28.633 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.503 5.716 30.585 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.869 6.062 28.907 1.00 0.00 H new ATOM 331 N THR A 25 4.967 5.934 31.181 1.00 0.00 N ATOM 332 CA THR A 25 3.978 5.715 32.229 1.00 0.00 C ATOM 333 C THR A 25 3.128 6.961 32.452 1.00 0.00 C ATOM 334 O THR A 25 2.016 6.881 32.975 1.00 0.00 O ATOM 335 CB THR A 25 4.646 5.319 33.559 1.00 0.00 C ATOM 336 OG1 THR A 25 5.938 5.926 33.658 1.00 0.00 O ATOM 337 CG2 THR A 25 4.781 3.807 33.667 1.00 0.00 C ATOM 0 H THR A 25 5.920 6.064 31.521 1.00 0.00 H new ATOM 0 HA THR A 25 3.339 4.897 31.894 1.00 0.00 H new ATOM 0 HB THR A 25 4.016 5.671 34.376 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.887 6.856 33.354 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.255 3.551 34.614 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.793 3.349 33.621 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.392 3.436 32.844 1.00 0.00 H new ATOM 345 N LEU A 26 3.657 8.111 32.051 1.00 0.00 N ATOM 346 CA LEU A 26 2.946 9.376 32.206 1.00 0.00 C ATOM 347 C LEU A 26 2.056 9.651 30.998 1.00 0.00 C ATOM 348 O LEU A 26 1.261 10.592 31.003 1.00 0.00 O ATOM 349 CB LEU A 26 3.940 10.523 32.393 1.00 0.00 C ATOM 350 CG LEU A 26 4.875 10.411 33.598 1.00 0.00 C ATOM 351 CD1 LEU A 26 5.926 11.509 33.562 1.00 0.00 C ATOM 352 CD2 LEU A 26 4.082 10.471 34.896 1.00 0.00 C ATOM 0 H LEU A 26 4.576 8.194 31.616 1.00 0.00 H new ATOM 0 HA LEU A 26 2.314 9.304 33.091 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.549 10.600 31.492 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.379 11.453 32.479 1.00 0.00 H new ATOM 0 HG LEU A 26 5.384 9.448 33.551 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.582 11.413 34.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.514 11.420 32.649 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.436 12.482 33.584 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.763 10.390 35.743 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.546 11.418 34.951 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.368 9.648 34.925 1.00 0.00 H new ATOM 364 N TRP A 27 2.193 8.825 29.968 1.00 0.00 N ATOM 365 CA TRP A 27 1.399 8.979 28.754 1.00 0.00 C ATOM 366 C TRP A 27 -0.092 8.913 29.066 1.00 0.00 C ATOM 367 O TRP A 27 -0.551 8.010 29.766 1.00 0.00 O ATOM 368 CB TRP A 27 1.768 7.897 27.738 1.00 0.00 C ATOM 369 CG TRP A 27 3.069 8.156 27.040 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.830 9.288 27.118 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.760 7.266 26.156 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.952 9.155 26.336 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.932 7.924 25.736 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.502 5.978 25.680 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.843 7.335 24.863 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.407 5.395 24.814 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.566 6.072 24.413 1.00 0.00 C ATOM 0 H TRP A 27 2.846 8.042 29.948 1.00 0.00 H new ATOM 0 HA TRP A 27 1.619 9.958 28.328 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.822 6.934 28.247 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.974 7.821 26.995 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.586 10.159 27.708 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.681 9.859 26.221 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.611 5.448 25.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.736 7.856 24.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.218 4.400 24.440 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.254 5.588 23.736 1.00 0.00 H new ATOM 388 N THR A 28 -0.845 9.876 28.544 1.00 0.00 N ATOM 389 CA THR A 28 -2.284 9.928 28.768 1.00 0.00 C ATOM 390 C THR A 28 -3.021 8.976 27.832 1.00 0.00 C ATOM 391 O THR A 28 -2.403 8.292 27.017 1.00 0.00 O ATOM 392 CB THR A 28 -2.833 11.353 28.569 1.00 0.00 C ATOM 393 OG1 THR A 28 -2.847 11.682 27.176 1.00 0.00 O ATOM 394 CG2 THR A 28 -1.990 12.368 29.327 1.00 0.00 C ATOM 0 H THR A 28 -0.481 10.631 27.963 1.00 0.00 H new ATOM 0 HA THR A 28 -2.454 9.622 29.800 1.00 0.00 H new ATOM 0 HB THR A 28 -3.850 11.385 28.960 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.199 12.589 27.058 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.397 13.367 29.172 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.005 12.131 30.391 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.963 12.333 28.962 1.00 0.00 H new ATOM 402 N GLN A 29 -4.343 8.939 27.955 1.00 0.00 N ATOM 403 CA GLN A 29 -5.164 8.071 27.118 1.00 0.00 C ATOM 404 C GLN A 29 -5.026 8.445 25.646 1.00 0.00 C ATOM 405 O GLN A 29 -5.368 7.660 24.763 1.00 0.00 O ATOM 406 CB GLN A 29 -6.630 8.156 27.544 1.00 0.00 C ATOM 407 CG GLN A 29 -7.236 6.810 27.909 1.00 0.00 C ATOM 408 CD GLN A 29 -8.746 6.864 28.033 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.463 6.129 27.353 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.239 7.737 28.903 1.00 0.00 N ATOM 0 H GLN A 29 -4.869 9.499 28.626 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.815 7.047 27.247 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.713 8.827 28.399 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.210 8.599 26.734 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.964 6.076 27.151 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.810 6.468 28.852 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.609 8.327 29.446 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.248 7.818 29.028 1.00 0.00 H new ATOM 419 N GLU A 30 -4.524 9.649 25.391 1.00 0.00 N ATOM 420 CA GLU A 30 -4.343 10.127 24.025 1.00 0.00 C ATOM 421 C GLU A 30 -2.917 9.874 23.545 1.00 0.00 C ATOM 422 O GLU A 30 -2.695 9.500 22.393 1.00 0.00 O ATOM 423 CB GLU A 30 -4.666 11.620 23.936 1.00 0.00 C ATOM 424 CG GLU A 30 -4.503 12.195 22.539 1.00 0.00 C ATOM 425 CD GLU A 30 -5.832 12.494 21.873 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.651 11.560 21.741 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.052 13.659 21.482 1.00 0.00 O ATOM 0 H GLU A 30 -4.236 10.311 26.112 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.028 9.576 23.381 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.691 11.782 24.269 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.018 12.165 24.622 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.914 13.110 22.593 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.942 11.491 21.924 1.00 0.00 H new ATOM 434 N HIS A 31 -1.953 10.082 24.436 1.00 0.00 N ATOM 435 CA HIS A 31 -0.547 9.877 24.104 1.00 0.00 C ATOM 436 C HIS A 31 -0.306 8.450 23.621 1.00 0.00 C ATOM 437 O HIS A 31 0.279 8.234 22.559 1.00 0.00 O ATOM 438 CB HIS A 31 0.334 10.172 25.318 1.00 0.00 C ATOM 439 CG HIS A 31 0.593 11.633 25.529 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.955 12.164 26.749 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.541 12.674 24.667 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.114 13.470 26.628 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.869 13.805 25.374 1.00 0.00 N ATOM 0 H HIS A 31 -2.119 10.392 25.393 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.285 10.564 23.299 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.141 9.763 26.210 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.287 9.656 25.199 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.289 12.625 23.618 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.396 14.148 27.420 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.916 14.750 24.993 1.00 0.00 H new ATOM 451 N VAL A 32 -0.759 7.479 24.408 1.00 0.00 N ATOM 452 CA VAL A 32 -0.592 6.073 24.060 1.00 0.00 C ATOM 453 C VAL A 32 -1.072 5.798 22.639 1.00 0.00 C ATOM 454 O VAL A 32 -0.552 4.914 21.958 1.00 0.00 O ATOM 455 CB VAL A 32 -1.357 5.159 25.035 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.279 3.709 24.582 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.814 5.314 26.448 1.00 0.00 C ATOM 0 H VAL A 32 -1.244 7.640 25.291 1.00 0.00 H new ATOM 0 HA VAL A 32 0.474 5.854 24.129 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.405 5.458 25.038 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.825 3.079 25.284 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.720 3.614 23.590 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.236 3.394 24.548 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.366 4.661 27.124 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.242 5.043 26.464 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.928 6.349 26.770 1.00 0.00 H new ATOM 467 N ARG A 33 -2.068 6.560 22.199 1.00 0.00 N ATOM 468 CA ARG A 33 -2.620 6.398 20.859 1.00 0.00 C ATOM 469 C ARG A 33 -1.707 7.034 19.815 1.00 0.00 C ATOM 470 O ARG A 33 -1.263 6.369 18.879 1.00 0.00 O ATOM 471 CB ARG A 33 -4.015 7.020 20.780 1.00 0.00 C ATOM 472 CG ARG A 33 -5.083 6.214 21.499 1.00 0.00 C ATOM 473 CD ARG A 33 -6.481 6.633 21.070 1.00 0.00 C ATOM 474 NE ARG A 33 -6.871 6.017 19.804 1.00 0.00 N ATOM 475 CZ ARG A 33 -8.095 6.100 19.293 1.00 0.00 C ATOM 476 NH1 ARG A 33 -9.041 6.770 19.937 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.373 5.514 18.136 1.00 0.00 N ATOM 0 H ARG A 33 -2.509 7.296 22.751 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.694 5.331 20.650 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.981 8.023 21.205 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.297 7.128 19.733 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.941 5.153 21.292 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.977 6.346 22.576 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.196 6.356 21.844 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.521 7.718 20.973 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.166 5.495 19.284 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.830 7.223 20.826 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.980 6.833 19.543 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.647 4.999 17.638 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.313 5.578 17.745 1.00 0.00 H new ATOM 491 N GLN A 34 -1.432 8.323 19.983 1.00 0.00 N ATOM 492 CA GLN A 34 -0.574 9.048 19.054 1.00 0.00 C ATOM 493 C GLN A 34 0.750 8.317 18.853 1.00 0.00 C ATOM 494 O GLN A 34 1.219 8.163 17.725 1.00 0.00 O ATOM 495 CB GLN A 34 -0.314 10.466 19.567 1.00 0.00 C ATOM 496 CG GLN A 34 -1.393 11.462 19.174 1.00 0.00 C ATOM 497 CD GLN A 34 -1.084 12.871 19.639 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.860 13.770 18.828 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.070 13.072 20.952 1.00 0.00 N ATOM 0 H GLN A 34 -1.791 8.887 20.754 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.087 9.105 18.094 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.232 10.441 20.654 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.646 10.812 19.183 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.508 11.458 18.090 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.346 11.145 19.597 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.261 12.298 21.588 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.868 14.000 21.324 1.00 0.00 H new ATOM 508 N TRP A 35 1.347 7.871 19.952 1.00 0.00 N ATOM 509 CA TRP A 35 2.617 7.156 19.895 1.00 0.00 C ATOM 510 C TRP A 35 2.512 5.930 18.996 1.00 0.00 C ATOM 511 O TRP A 35 3.437 5.616 18.246 1.00 0.00 O ATOM 512 CB TRP A 35 3.054 6.739 21.300 1.00 0.00 C ATOM 513 CG TRP A 35 4.219 5.796 21.305 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.521 6.102 21.027 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.187 4.395 21.598 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.300 4.975 21.131 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.506 3.915 21.481 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.173 3.501 21.951 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.834 2.580 21.703 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.501 2.176 22.171 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.822 1.726 22.047 1.00 0.00 C ATOM 0 H TRP A 35 0.973 7.992 20.893 1.00 0.00 H new ATOM 0 HA TRP A 35 3.365 7.828 19.474 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.315 7.630 21.871 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.213 6.269 21.810 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.884 7.085 20.764 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.307 4.934 20.973 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.152 3.839 22.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.852 2.231 21.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.725 1.476 22.443 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.046 0.685 22.226 1.00 0.00 H new ATOM 532 N LEU A 36 1.380 5.238 19.076 1.00 0.00 N ATOM 533 CA LEU A 36 1.154 4.045 18.268 1.00 0.00 C ATOM 534 C LEU A 36 1.192 4.379 16.780 1.00 0.00 C ATOM 535 O LEU A 36 2.031 3.865 16.041 1.00 0.00 O ATOM 536 CB LEU A 36 -0.190 3.410 18.626 1.00 0.00 C ATOM 537 CG LEU A 36 -0.219 1.882 18.677 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.539 1.374 19.894 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.654 1.375 18.690 1.00 0.00 C ATOM 0 H LEU A 36 0.605 5.483 19.692 1.00 0.00 H new ATOM 0 HA LEU A 36 1.953 3.335 18.482 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.502 3.792 19.598 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.931 3.743 17.900 1.00 0.00 H new ATOM 0 HG LEU A 36 0.272 1.499 17.782 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.508 0.285 19.914 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.576 1.706 19.842 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.078 1.767 20.800 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.655 0.286 18.726 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.171 1.768 19.566 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.166 1.708 17.787 1.00 0.00 H new ATOM 551 N GLU A 37 0.279 5.243 16.350 1.00 0.00 N ATOM 552 CA GLU A 37 0.209 5.647 14.950 1.00 0.00 C ATOM 553 C GLU A 37 1.569 6.129 14.455 1.00 0.00 C ATOM 554 O GLU A 37 1.891 6.006 13.273 1.00 0.00 O ATOM 555 CB GLU A 37 -0.834 6.751 14.766 1.00 0.00 C ATOM 556 CG GLU A 37 -2.219 6.368 15.261 1.00 0.00 C ATOM 557 CD GLU A 37 -3.320 6.829 14.326 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.096 7.807 13.582 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.406 6.213 14.339 1.00 0.00 O ATOM 0 H GLU A 37 -0.422 5.677 16.950 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.086 4.778 14.362 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.502 7.644 15.295 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.894 7.010 13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.274 5.285 15.375 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.381 6.801 16.248 1.00 0.00 H new ATOM 566 N TRP A 38 2.363 6.679 15.367 1.00 0.00 N ATOM 567 CA TRP A 38 3.688 7.182 15.023 1.00 0.00 C ATOM 568 C TRP A 38 4.640 6.033 14.705 1.00 0.00 C ATOM 569 O TRP A 38 5.142 5.923 13.587 1.00 0.00 O ATOM 570 CB TRP A 38 4.251 8.024 16.169 1.00 0.00 C ATOM 571 CG TRP A 38 5.716 8.309 16.034 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.306 9.161 15.144 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.775 7.741 16.812 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.668 9.156 15.322 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.981 8.294 16.339 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.822 6.821 17.862 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.218 7.955 16.881 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.050 6.485 18.399 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.235 7.051 17.909 1.00 0.00 C ATOM 0 H TRP A 38 2.112 6.788 16.350 1.00 0.00 H new ATOM 0 HA TRP A 38 3.593 7.808 14.136 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.708 8.968 16.218 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.075 7.506 17.112 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.779 9.751 14.409 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.338 9.705 14.784 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.915 6.380 18.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.132 8.390 16.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.098 5.774 19.210 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.179 6.769 18.351 1.00 0.00 H new ATOM 590 N ALA A 39 4.883 5.181 15.695 1.00 0.00 N ATOM 591 CA ALA A 39 5.773 4.040 15.519 1.00 0.00 C ATOM 592 C ALA A 39 5.394 3.234 14.281 1.00 0.00 C ATOM 593 O ALA A 39 6.252 2.634 13.633 1.00 0.00 O ATOM 594 CB ALA A 39 5.747 3.154 16.756 1.00 0.00 C ATOM 0 H ALA A 39 4.476 5.259 16.627 1.00 0.00 H new ATOM 0 HA ALA A 39 6.785 4.419 15.378 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.416 2.306 16.610 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.073 3.729 17.622 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.733 2.791 16.923 1.00 0.00 H new ATOM 600 N ILE A 40 4.105 3.223 13.960 1.00 0.00 N ATOM 601 CA ILE A 40 3.613 2.491 12.799 1.00 0.00 C ATOM 602 C ILE A 40 4.074 3.145 11.501 1.00 0.00 C ATOM 603 O ILE A 40 4.600 2.478 10.609 1.00 0.00 O ATOM 604 CB ILE A 40 2.076 2.402 12.799 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.584 1.683 14.057 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.586 1.687 11.549 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.192 2.094 14.483 1.00 0.00 C ATOM 0 H ILE A 40 3.382 3.713 14.487 1.00 0.00 H new ATOM 0 HA ILE A 40 4.026 1.484 12.862 1.00 0.00 H new ATOM 0 HB ILE A 40 1.669 3.413 12.799 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.598 0.608 13.880 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.278 1.881 14.874 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.497 1.632 11.564 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.909 2.237 10.665 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.000 0.679 11.521 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.091 1.544 15.381 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.176 3.164 14.692 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.514 1.871 13.683 1.00 0.00 H new ATOM 619 N LYS A 41 3.874 4.455 11.402 1.00 0.00 N ATOM 620 CA LYS A 41 4.271 5.202 10.214 1.00 0.00 C ATOM 621 C LYS A 41 5.788 5.350 10.147 1.00 0.00 C ATOM 622 O LYS A 41 6.348 5.609 9.082 1.00 0.00 O ATOM 623 CB LYS A 41 3.613 6.583 10.211 1.00 0.00 C ATOM 624 CG LYS A 41 4.071 7.478 11.350 1.00 0.00 C ATOM 625 CD LYS A 41 3.611 8.912 11.152 1.00 0.00 C ATOM 626 CE LYS A 41 4.713 9.774 10.557 1.00 0.00 C ATOM 627 NZ LYS A 41 4.557 11.208 10.927 1.00 0.00 N ATOM 0 H LYS A 41 3.439 5.021 12.130 1.00 0.00 H new ATOM 0 HA LYS A 41 3.938 4.646 9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.828 7.077 9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.531 6.461 10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.680 7.097 12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.158 7.450 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.741 8.929 10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.297 9.330 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.682 9.413 10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.704 9.676 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.328 11.762 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.643 11.560 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.591 11.305 11.962 1.00 0.00 H new ATOM 641 N GLU A 42 6.446 5.182 11.289 1.00 0.00 N ATOM 642 CA GLU A 42 7.898 5.297 11.358 1.00 0.00 C ATOM 643 C GLU A 42 8.566 3.974 10.995 1.00 0.00 C ATOM 644 O GLU A 42 9.429 3.922 10.118 1.00 0.00 O ATOM 645 CB GLU A 42 8.332 5.733 12.759 1.00 0.00 C ATOM 646 CG GLU A 42 9.794 6.139 12.845 1.00 0.00 C ATOM 647 CD GLU A 42 10.018 7.592 12.474 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.912 7.921 11.274 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.301 8.399 13.384 1.00 0.00 O ATOM 0 H GLU A 42 5.997 4.966 12.179 1.00 0.00 H new ATOM 0 HA GLU A 42 8.212 6.052 10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.712 6.571 13.078 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.149 4.916 13.457 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.156 5.967 13.859 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.383 5.504 12.184 1.00 0.00 H new ATOM 656 N TYR A 43 8.162 2.908 11.676 1.00 0.00 N ATOM 657 CA TYR A 43 8.723 1.585 11.428 1.00 0.00 C ATOM 658 C TYR A 43 7.933 0.851 10.349 1.00 0.00 C ATOM 659 O TYR A 43 8.137 -0.340 10.116 1.00 0.00 O ATOM 660 CB TYR A 43 8.732 0.762 12.718 1.00 0.00 C ATOM 661 CG TYR A 43 9.334 1.491 13.898 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.637 1.971 13.852 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.599 1.702 15.058 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.191 2.637 14.928 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.144 2.368 16.138 1.00 0.00 C ATOM 666 CZ TYR A 43 10.441 2.833 16.068 1.00 0.00 C ATOM 667 OH TYR A 43 10.989 3.498 17.142 1.00 0.00 O ATOM 0 H TYR A 43 7.448 2.934 12.404 1.00 0.00 H new ATOM 0 HA TYR A 43 9.748 1.713 11.079 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.709 0.475 12.963 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.290 -0.159 12.548 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.227 1.821 12.960 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.584 1.339 15.116 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.206 3.002 14.876 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.558 2.524 17.032 1.00 0.00 H new ATOM 0 HH TYR A 43 10.377 4.204 17.437 1.00 0.00 H new ATOM 677 N SER A 44 7.029 1.573 9.693 1.00 0.00 N ATOM 678 CA SER A 44 6.205 0.992 8.640 1.00 0.00 C ATOM 679 C SER A 44 5.525 -0.285 9.125 1.00 0.00 C ATOM 680 O SER A 44 5.511 -1.299 8.426 1.00 0.00 O ATOM 681 CB SER A 44 7.056 0.692 7.404 1.00 0.00 C ATOM 682 OG SER A 44 7.336 1.877 6.679 1.00 0.00 O ATOM 0 H SER A 44 6.849 2.561 9.873 1.00 0.00 H new ATOM 0 HA SER A 44 5.434 1.716 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.990 0.218 7.707 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.533 -0.016 6.762 1.00 0.00 H new ATOM 0 HG SER A 44 7.882 1.659 5.895 1.00 0.00 H new ATOM 688 N LEU A 45 4.962 -0.228 10.327 1.00 0.00 N ATOM 689 CA LEU A 45 4.279 -1.379 10.907 1.00 0.00 C ATOM 690 C LEU A 45 2.920 -1.594 10.249 1.00 0.00 C ATOM 691 O LEU A 45 2.293 -0.649 9.773 1.00 0.00 O ATOM 692 CB LEU A 45 4.104 -1.186 12.414 1.00 0.00 C ATOM 693 CG LEU A 45 5.369 -0.831 13.197 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.056 -0.682 14.678 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.443 -1.887 12.981 1.00 0.00 C ATOM 0 H LEU A 45 4.965 0.603 10.919 1.00 0.00 H new ATOM 0 HA LEU A 45 4.892 -2.262 10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.368 -0.399 12.576 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.688 -2.103 12.832 1.00 0.00 H new ATOM 0 HG LEU A 45 5.746 0.123 12.829 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.968 -0.429 15.219 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.321 0.111 14.817 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.655 -1.620 15.061 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.336 -1.618 13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.076 -2.855 13.322 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.688 -1.945 11.920 1.00 0.00 H new ATOM 707 N MET A 46 2.469 -2.845 10.229 1.00 0.00 N ATOM 708 CA MET A 46 1.182 -3.184 9.633 1.00 0.00 C ATOM 709 C MET A 46 0.498 -4.299 10.416 1.00 0.00 C ATOM 710 O MET A 46 1.122 -4.961 11.244 1.00 0.00 O ATOM 711 CB MET A 46 1.367 -3.607 8.175 1.00 0.00 C ATOM 712 CG MET A 46 2.051 -2.553 7.318 1.00 0.00 C ATOM 713 SD MET A 46 1.517 -2.604 5.597 1.00 0.00 S ATOM 714 CE MET A 46 2.213 -1.073 4.981 1.00 0.00 C ATOM 0 H MET A 46 2.976 -3.640 10.619 1.00 0.00 H new ATOM 0 HA MET A 46 0.548 -2.298 9.668 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.953 -4.525 8.143 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.392 -3.836 7.745 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.844 -1.565 7.730 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.130 -2.697 7.364 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.968 -0.961 3.925 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.800 -0.234 5.541 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.296 -1.091 5.102 1.00 0.00 H new ATOM 724 N GLU A 47 -0.789 -4.502 10.147 1.00 0.00 N ATOM 725 CA GLU A 47 -1.557 -5.537 10.828 1.00 0.00 C ATOM 726 C GLU A 47 -1.647 -5.252 12.325 1.00 0.00 C ATOM 727 O GLU A 47 -1.712 -6.173 13.140 1.00 0.00 O ATOM 728 CB GLU A 47 -0.922 -6.910 10.597 1.00 0.00 C ATOM 729 CG GLU A 47 -0.549 -7.171 9.147 1.00 0.00 C ATOM 730 CD GLU A 47 -0.878 -8.584 8.706 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.385 -9.536 9.345 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.630 -8.737 7.720 1.00 0.00 O ATOM 0 H GLU A 47 -1.320 -3.963 9.463 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.565 -5.536 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.028 -6.996 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.615 -7.682 10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.075 -6.463 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.518 -6.991 9.012 1.00 0.00 H new ATOM 739 N ILE A 48 -1.650 -3.971 12.678 1.00 0.00 N ATOM 740 CA ILE A 48 -1.733 -3.565 14.075 1.00 0.00 C ATOM 741 C ILE A 48 -3.134 -3.073 14.423 1.00 0.00 C ATOM 742 O ILE A 48 -3.788 -2.411 13.617 1.00 0.00 O ATOM 743 CB ILE A 48 -0.716 -2.454 14.399 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.648 -2.220 15.910 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.087 -1.169 13.675 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.730 -1.836 16.401 1.00 0.00 C ATOM 0 H ILE A 48 -1.596 -3.197 12.016 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.501 -4.446 14.674 1.00 0.00 H new ATOM 0 HB ILE A 48 0.268 -2.771 14.054 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.353 -1.434 16.180 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.969 -3.126 16.424 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.359 -0.394 13.914 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.090 -1.345 12.599 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.079 -0.846 13.992 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.703 -1.686 17.480 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.436 -2.632 16.163 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.046 -0.913 15.914 1.00 0.00 H new ATOM 758 N ASP A 49 -3.587 -3.399 15.628 1.00 0.00 N ATOM 759 CA ASP A 49 -4.910 -2.988 16.084 1.00 0.00 C ATOM 760 C ASP A 49 -4.817 -1.762 16.986 1.00 0.00 C ATOM 761 O ASP A 49 -4.619 -1.880 18.196 1.00 0.00 O ATOM 762 CB ASP A 49 -5.594 -4.135 16.830 1.00 0.00 C ATOM 763 CG ASP A 49 -7.106 -4.026 16.798 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.681 -4.076 15.690 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.714 -3.892 17.880 1.00 0.00 O ATOM 0 H ASP A 49 -3.058 -3.947 16.307 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.505 -2.728 15.209 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.292 -5.084 16.387 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.255 -4.144 17.866 1.00 0.00 H new ATOM 770 N THR A 50 -4.960 -0.582 16.389 1.00 0.00 N ATOM 771 CA THR A 50 -4.890 0.666 17.138 1.00 0.00 C ATOM 772 C THR A 50 -6.085 0.815 18.073 1.00 0.00 C ATOM 773 O THR A 50 -6.006 1.501 19.092 1.00 0.00 O ATOM 774 CB THR A 50 -4.836 1.884 16.195 1.00 0.00 C ATOM 775 OG1 THR A 50 -6.056 1.984 15.453 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.660 1.773 15.236 1.00 0.00 C ATOM 0 H THR A 50 -5.125 -0.465 15.389 1.00 0.00 H new ATOM 0 HA THR A 50 -3.974 0.630 17.727 1.00 0.00 H new ATOM 0 HB THR A 50 -4.707 2.780 16.802 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.014 2.761 14.858 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.642 2.643 14.580 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.731 1.727 15.804 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.764 0.869 14.636 1.00 0.00 H new ATOM 784 N SER A 51 -7.191 0.168 17.719 1.00 0.00 N ATOM 785 CA SER A 51 -8.404 0.230 18.526 1.00 0.00 C ATOM 786 C SER A 51 -8.177 -0.396 19.899 1.00 0.00 C ATOM 787 O SER A 51 -8.849 -0.050 20.871 1.00 0.00 O ATOM 788 CB SER A 51 -9.554 -0.482 17.812 1.00 0.00 C ATOM 789 OG SER A 51 -9.781 -1.766 18.366 1.00 0.00 O ATOM 0 H SER A 51 -7.272 -0.405 16.879 1.00 0.00 H new ATOM 0 HA SER A 51 -8.665 1.279 18.664 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.461 0.117 17.890 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.325 -0.576 16.751 1.00 0.00 H new ATOM 0 HG SER A 51 -9.045 -2.364 18.119 1.00 0.00 H new ATOM 795 N PHE A 52 -7.225 -1.320 19.970 1.00 0.00 N ATOM 796 CA PHE A 52 -6.908 -1.997 21.222 1.00 0.00 C ATOM 797 C PHE A 52 -6.302 -1.023 22.229 1.00 0.00 C ATOM 798 O PHE A 52 -6.392 -1.228 23.439 1.00 0.00 O ATOM 799 CB PHE A 52 -5.941 -3.155 20.970 1.00 0.00 C ATOM 800 CG PHE A 52 -6.103 -4.292 21.939 1.00 0.00 C ATOM 801 CD1 PHE A 52 -7.060 -5.271 21.725 1.00 0.00 C ATOM 802 CD2 PHE A 52 -5.298 -4.382 23.063 1.00 0.00 C ATOM 803 CE1 PHE A 52 -7.211 -6.319 22.613 1.00 0.00 C ATOM 804 CE2 PHE A 52 -5.444 -5.428 23.955 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.402 -6.397 23.730 1.00 0.00 C ATOM 0 H PHE A 52 -6.659 -1.617 19.175 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.835 -2.391 21.637 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.089 -3.528 19.956 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.918 -2.783 21.026 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.696 -5.214 20.854 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.548 -3.626 23.244 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.960 -7.076 22.434 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.810 -5.487 24.827 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.518 -7.214 24.426 1.00 0.00 H new ATOM 815 N PHE A 53 -5.685 0.037 21.718 1.00 0.00 N ATOM 816 CA PHE A 53 -5.062 1.043 22.571 1.00 0.00 C ATOM 817 C PHE A 53 -5.811 2.370 22.484 1.00 0.00 C ATOM 818 O PHE A 53 -5.247 3.430 22.752 1.00 0.00 O ATOM 819 CB PHE A 53 -3.598 1.243 22.174 1.00 0.00 C ATOM 820 CG PHE A 53 -2.846 -0.043 21.986 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.886 -0.715 20.775 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.099 -0.582 23.022 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.195 -1.899 20.599 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.406 -1.765 22.852 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.455 -2.425 21.640 1.00 0.00 C ATOM 0 H PHE A 53 -5.603 0.222 20.718 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.107 0.688 23.601 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.556 1.817 21.249 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.100 1.837 22.940 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.464 -0.309 19.958 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.058 -0.071 23.973 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.234 -2.412 19.649 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.826 -2.173 23.667 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.916 -3.351 21.506 1.00 0.00 H new ATOM 835 N GLN A 54 -7.083 2.300 22.106 1.00 0.00 N ATOM 836 CA GLN A 54 -7.909 3.496 21.981 1.00 0.00 C ATOM 837 C GLN A 54 -8.186 4.110 23.349 1.00 0.00 C ATOM 838 O GLN A 54 -8.437 5.309 23.462 1.00 0.00 O ATOM 839 CB GLN A 54 -9.227 3.160 21.283 1.00 0.00 C ATOM 840 CG GLN A 54 -10.194 2.373 22.153 1.00 0.00 C ATOM 841 CD GLN A 54 -11.525 2.127 21.472 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.763 1.054 20.916 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.404 3.123 21.511 1.00 0.00 N ATOM 0 H GLN A 54 -7.564 1.429 21.881 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.364 4.223 21.380 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.707 4.086 20.967 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.015 2.587 20.381 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.743 1.416 22.417 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.361 2.914 23.084 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.166 3.995 21.983 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.317 3.015 21.069 1.00 0.00 H new ATOM 852 N ASN A 55 -8.140 3.280 24.386 1.00 0.00 N ATOM 853 CA ASN A 55 -8.387 3.742 25.747 1.00 0.00 C ATOM 854 C ASN A 55 -7.410 3.098 26.726 1.00 0.00 C ATOM 855 O ASN A 55 -7.782 2.737 27.842 1.00 0.00 O ATOM 856 CB ASN A 55 -9.826 3.425 26.162 1.00 0.00 C ATOM 857 CG ASN A 55 -10.272 2.052 25.697 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.511 1.087 25.756 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.512 1.960 25.230 1.00 0.00 N ATOM 0 H ASN A 55 -7.934 2.284 24.310 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.238 4.822 25.770 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.910 3.483 27.247 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.495 4.180 25.750 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.868 1.062 24.902 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.108 2.787 25.200 1.00 0.00 H new ATOM 866 N MET A 56 -6.159 2.958 26.300 1.00 0.00 N ATOM 867 CA MET A 56 -5.128 2.360 27.139 1.00 0.00 C ATOM 868 C MET A 56 -4.163 3.422 27.656 1.00 0.00 C ATOM 869 O MET A 56 -3.260 3.854 26.940 1.00 0.00 O ATOM 870 CB MET A 56 -4.360 1.293 26.358 1.00 0.00 C ATOM 871 CG MET A 56 -3.193 0.697 27.129 1.00 0.00 C ATOM 872 SD MET A 56 -3.375 -1.076 27.404 1.00 0.00 S ATOM 873 CE MET A 56 -3.431 -1.676 25.717 1.00 0.00 C ATOM 0 H MET A 56 -5.835 3.251 25.378 1.00 0.00 H new ATOM 0 HA MET A 56 -5.617 1.893 27.994 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.047 0.494 26.079 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.987 1.730 25.432 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.269 0.883 26.582 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.102 1.202 28.090 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.918 -2.651 25.694 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.993 -0.975 25.100 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.416 -1.767 25.329 1.00 0.00 H new ATOM 883 N ASP A 57 -4.361 3.839 28.902 1.00 0.00 N ATOM 884 CA ASP A 57 -3.508 4.851 29.514 1.00 0.00 C ATOM 885 C ASP A 57 -2.055 4.389 29.546 1.00 0.00 C ATOM 886 O ASP A 57 -1.774 3.193 29.622 1.00 0.00 O ATOM 887 CB ASP A 57 -3.988 5.164 30.932 1.00 0.00 C ATOM 888 CG ASP A 57 -4.352 3.914 31.709 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.430 3.242 32.218 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.558 3.608 31.808 1.00 0.00 O ATOM 0 H ASP A 57 -5.105 3.492 29.508 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.570 5.756 28.910 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.207 5.705 31.466 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.855 5.823 30.882 1.00 0.00 H new ATOM 895 N GLY A 58 -1.133 5.345 29.487 1.00 0.00 N ATOM 896 CA GLY A 58 0.280 5.016 29.509 1.00 0.00 C ATOM 897 C GLY A 58 0.613 3.958 30.543 1.00 0.00 C ATOM 898 O GLY A 58 1.415 3.059 30.287 1.00 0.00 O ATOM 0 H GLY A 58 -1.340 6.342 29.424 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.583 4.664 28.523 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.857 5.917 29.717 1.00 0.00 H new ATOM 902 N LYS A 59 -0.003 4.065 31.715 1.00 0.00 N ATOM 903 CA LYS A 59 0.231 3.110 32.793 1.00 0.00 C ATOM 904 C LYS A 59 -0.109 1.692 32.347 1.00 0.00 C ATOM 905 O LYS A 59 0.666 0.761 32.564 1.00 0.00 O ATOM 906 CB LYS A 59 -0.600 3.484 34.022 1.00 0.00 C ATOM 907 CG LYS A 59 -0.291 4.866 34.569 1.00 0.00 C ATOM 908 CD LYS A 59 0.700 4.802 35.719 1.00 0.00 C ATOM 909 CE LYS A 59 2.047 4.261 35.265 1.00 0.00 C ATOM 910 NZ LYS A 59 2.136 2.783 35.432 1.00 0.00 N ATOM 0 H LYS A 59 -0.668 4.804 31.943 1.00 0.00 H new ATOM 0 HA LYS A 59 1.289 3.145 33.053 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.658 3.433 33.764 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.427 2.746 34.805 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.114 5.491 33.773 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.213 5.339 34.908 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.831 5.797 36.144 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.300 4.168 36.510 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.208 4.519 34.218 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.842 4.740 35.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.998 2.545 35.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.303 2.442 35.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.169 2.329 34.497 1.00 0.00 H new ATOM 924 N GLU A 60 -1.272 1.536 31.722 1.00 0.00 N ATOM 925 CA GLU A 60 -1.714 0.231 31.245 1.00 0.00 C ATOM 926 C GLU A 60 -0.931 -0.189 30.004 1.00 0.00 C ATOM 927 O GLU A 60 -1.008 -1.338 29.567 1.00 0.00 O ATOM 928 CB GLU A 60 -3.211 0.257 30.932 1.00 0.00 C ATOM 929 CG GLU A 60 -4.091 0.293 32.171 1.00 0.00 C ATOM 930 CD GLU A 60 -4.519 -1.089 32.623 1.00 0.00 C ATOM 931 OE1 GLU A 60 -4.953 -1.887 31.766 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.419 -1.374 33.835 1.00 0.00 O ATOM 0 H GLU A 60 -1.925 2.297 31.534 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.528 -0.497 32.035 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.430 1.129 30.316 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.466 -0.623 30.341 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.552 0.785 32.981 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.977 0.894 31.966 1.00 0.00 H new ATOM 939 N LEU A 61 -0.178 0.750 29.442 1.00 0.00 N ATOM 940 CA LEU A 61 0.619 0.480 28.250 1.00 0.00 C ATOM 941 C LEU A 61 1.997 -0.056 28.627 1.00 0.00 C ATOM 942 O LEU A 61 2.602 -0.822 27.876 1.00 0.00 O ATOM 943 CB LEU A 61 0.765 1.750 27.411 1.00 0.00 C ATOM 944 CG LEU A 61 1.607 1.623 26.141 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.964 0.646 25.170 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.794 2.984 25.486 1.00 0.00 C ATOM 0 H LEU A 61 -0.102 1.705 29.792 1.00 0.00 H new ATOM 0 HA LEU A 61 0.103 -0.278 27.662 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.231 2.092 27.130 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.204 2.527 28.037 1.00 0.00 H new ATOM 0 HG LEU A 61 2.589 1.237 26.416 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.577 0.569 24.272 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.883 -0.334 25.640 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.030 1.002 24.901 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.396 2.874 24.584 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.821 3.399 25.225 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.300 3.655 26.180 1.00 0.00 H new ATOM 958 N CYS A 62 2.484 0.350 29.794 1.00 0.00 N ATOM 959 CA CYS A 62 3.790 -0.090 30.272 1.00 0.00 C ATOM 960 C CYS A 62 3.682 -1.430 30.992 1.00 0.00 C ATOM 961 O CYS A 62 4.683 -2.116 31.204 1.00 0.00 O ATOM 962 CB CYS A 62 4.394 0.958 31.207 1.00 0.00 C ATOM 963 SG CYS A 62 4.469 2.621 30.502 1.00 0.00 S ATOM 0 H CYS A 62 1.995 0.983 30.427 1.00 0.00 H new ATOM 0 HA CYS A 62 4.443 -0.214 29.408 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.808 0.991 32.126 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.401 0.646 31.482 1.00 0.00 H new ATOM 0 HG CYS A 62 3.263 3.062 30.301 1.00 0.00 H new ATOM 969 N LYS A 63 2.462 -1.798 31.367 1.00 0.00 N ATOM 970 CA LYS A 63 2.221 -3.055 32.065 1.00 0.00 C ATOM 971 C LYS A 63 1.977 -4.189 31.074 1.00 0.00 C ATOM 972 O LYS A 63 2.209 -5.357 31.383 1.00 0.00 O ATOM 973 CB LYS A 63 1.023 -2.919 33.006 1.00 0.00 C ATOM 974 CG LYS A 63 -0.316 -2.909 32.289 1.00 0.00 C ATOM 975 CD LYS A 63 -1.474 -2.835 33.270 1.00 0.00 C ATOM 976 CE LYS A 63 -1.878 -4.217 33.760 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.345 -4.313 34.000 1.00 0.00 N ATOM 0 H LYS A 63 1.623 -1.242 31.199 1.00 0.00 H new ATOM 0 HA LYS A 63 3.109 -3.292 32.651 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.037 -3.743 33.720 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.125 -1.998 33.580 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.359 -2.058 31.609 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.411 -3.808 31.680 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.193 -2.214 34.121 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.327 -2.353 32.792 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.581 -4.964 33.025 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.343 -4.446 34.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.517 -4.761 34.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.761 -3.360 33.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.783 -4.886 33.250 1.00 0.00 H new ATOM 991 N MET A 64 1.508 -3.835 29.881 1.00 0.00 N ATOM 992 CA MET A 64 1.234 -4.824 28.845 1.00 0.00 C ATOM 993 C MET A 64 2.478 -5.654 28.544 1.00 0.00 C ATOM 994 O MET A 64 3.602 -5.166 28.650 1.00 0.00 O ATOM 995 CB MET A 64 0.747 -4.134 27.569 1.00 0.00 C ATOM 996 CG MET A 64 -0.643 -3.532 27.697 1.00 0.00 C ATOM 997 SD MET A 64 -1.900 -4.496 26.835 1.00 0.00 S ATOM 998 CE MET A 64 -1.346 -4.334 25.139 1.00 0.00 C ATOM 0 H MET A 64 1.310 -2.872 29.609 1.00 0.00 H new ATOM 0 HA MET A 64 0.453 -5.491 29.211 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.452 -3.347 27.300 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.748 -4.856 26.752 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.907 -3.459 28.752 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.633 -2.517 27.300 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.207 -4.182 24.488 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.673 -3.480 25.056 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.820 -5.241 24.840 1.00 0.00 H new ATOM 1008 N ASN A 65 2.268 -6.912 28.169 1.00 0.00 N ATOM 1009 CA ASN A 65 3.372 -7.810 27.854 1.00 0.00 C ATOM 1010 C ASN A 65 3.300 -8.274 26.402 1.00 0.00 C ATOM 1011 O ASN A 65 2.383 -7.908 25.667 1.00 0.00 O ATOM 1012 CB ASN A 65 3.355 -9.021 28.789 1.00 0.00 C ATOM 1013 CG ASN A 65 2.829 -8.678 30.169 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.285 -7.725 30.801 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.863 -9.456 30.645 1.00 0.00 N ATOM 0 H ASN A 65 1.343 -7.332 28.076 1.00 0.00 H new ATOM 0 HA ASN A 65 4.304 -7.262 27.996 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.737 -9.805 28.352 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.364 -9.423 28.877 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.470 -9.274 31.568 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.514 -10.236 30.087 1.00 0.00 H new ATOM 1022 N LYS A 66 4.272 -9.082 25.996 1.00 0.00 N ATOM 1023 CA LYS A 66 4.319 -9.599 24.633 1.00 0.00 C ATOM 1024 C LYS A 66 2.991 -10.243 24.249 1.00 0.00 C ATOM 1025 O LYS A 66 2.529 -10.105 23.117 1.00 0.00 O ATOM 1026 CB LYS A 66 5.453 -10.617 24.490 1.00 0.00 C ATOM 1027 CG LYS A 66 5.798 -10.945 23.048 1.00 0.00 C ATOM 1028 CD LYS A 66 7.161 -10.394 22.662 1.00 0.00 C ATOM 1029 CE LYS A 66 7.494 -10.698 21.209 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.791 -11.418 21.077 1.00 0.00 N ATOM 0 H LYS A 66 5.039 -9.394 26.592 1.00 0.00 H new ATOM 0 HA LYS A 66 4.504 -8.762 23.960 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.342 -10.230 24.988 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.173 -11.535 25.006 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.788 -12.026 22.907 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.036 -10.531 22.387 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.178 -9.316 22.822 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.925 -10.824 23.309 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.698 -11.301 20.772 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.536 -9.767 20.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.150 -11.312 20.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.480 -11.018 21.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.651 -12.427 21.286 1.00 0.00 H new ATOM 1044 N GLU A 67 2.382 -10.945 25.200 1.00 0.00 N ATOM 1045 CA GLU A 67 1.107 -11.610 24.960 1.00 0.00 C ATOM 1046 C GLU A 67 -0.008 -10.588 24.751 1.00 0.00 C ATOM 1047 O GLU A 67 -0.647 -10.559 23.699 1.00 0.00 O ATOM 1048 CB GLU A 67 0.757 -12.529 26.131 1.00 0.00 C ATOM 1049 CG GLU A 67 1.180 -13.973 25.919 1.00 0.00 C ATOM 1050 CD GLU A 67 0.355 -14.949 26.736 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.314 -14.504 27.692 1.00 0.00 O ATOM 1052 OE2 GLU A 67 0.379 -16.157 26.421 1.00 0.00 O ATOM 0 H GLU A 67 2.751 -11.068 26.143 1.00 0.00 H new ATOM 0 HA GLU A 67 1.204 -12.209 24.054 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.233 -12.149 27.035 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.319 -12.495 26.299 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.089 -14.223 24.862 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.232 -14.082 26.183 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.234 -9.754 25.759 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.271 -8.730 25.687 1.00 0.00 C ATOM 1061 C ASP A 68 -1.086 -7.857 24.449 1.00 0.00 C ATOM 1062 O ASP A 68 -2.049 -7.299 23.922 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.249 -7.863 26.946 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.150 -8.687 28.215 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -0.031 -9.129 28.549 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -2.191 -8.888 28.874 1.00 0.00 O ATOM 0 H ASP A 68 0.286 -9.766 26.636 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.237 -9.229 25.617 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.404 -7.176 26.896 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.153 -7.255 26.981 1.00 0.00 H new ATOM 1071 N PHE A 69 0.156 -7.743 23.991 1.00 0.00 N ATOM 1072 CA PHE A 69 0.467 -6.936 22.817 1.00 0.00 C ATOM 1073 C PHE A 69 0.236 -7.731 21.535 1.00 0.00 C ATOM 1074 O PHE A 69 -0.178 -7.178 20.515 1.00 0.00 O ATOM 1075 CB PHE A 69 1.916 -6.450 22.876 1.00 0.00 C ATOM 1076 CG PHE A 69 2.059 -5.054 23.413 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.564 -3.971 22.705 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.688 -4.826 24.626 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.693 -2.686 23.197 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.820 -3.544 25.123 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.323 -2.472 24.407 1.00 0.00 C ATOM 0 H PHE A 69 0.964 -8.199 24.415 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.198 -6.072 22.813 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.494 -7.132 23.500 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.346 -6.492 21.875 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.072 -4.133 21.758 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.080 -5.660 25.189 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.302 -1.850 22.636 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.311 -3.380 26.071 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.427 -1.469 24.793 1.00 0.00 H new ATOM 1091 N LEU A 70 0.509 -9.029 21.594 1.00 0.00 N ATOM 1092 CA LEU A 70 0.332 -9.901 20.437 1.00 0.00 C ATOM 1093 C LEU A 70 -1.147 -10.076 20.108 1.00 0.00 C ATOM 1094 O LEU A 70 -1.502 -10.485 19.002 1.00 0.00 O ATOM 1095 CB LEU A 70 0.972 -11.266 20.700 1.00 0.00 C ATOM 1096 CG LEU A 70 2.383 -11.464 20.143 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.934 -12.820 20.556 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.382 -11.325 18.628 1.00 0.00 C ATOM 0 H LEU A 70 0.854 -9.502 22.430 1.00 0.00 H new ATOM 0 HA LEU A 70 0.823 -9.434 19.583 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.002 -11.430 21.777 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.325 -12.036 20.279 1.00 0.00 H new ATOM 0 HG LEU A 70 3.029 -10.691 20.558 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.938 -12.943 20.151 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.971 -12.882 21.644 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.288 -13.608 20.170 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.394 -11.469 18.249 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.722 -12.076 18.194 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.030 -10.330 18.354 1.00 0.00 H new ATOM 1110 N ARG A 71 -2.004 -9.762 21.074 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.445 -9.883 20.885 1.00 0.00 C ATOM 1112 C ARG A 71 -4.005 -8.656 20.172 1.00 0.00 C ATOM 1113 O ARG A 71 -5.210 -8.553 19.948 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.143 -10.066 22.234 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.777 -11.362 22.939 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.831 -11.756 23.961 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.724 -13.162 24.343 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.542 -13.753 25.207 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.521 -13.064 25.776 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.381 -15.036 25.504 1.00 0.00 N ATOM 0 H ARG A 71 -1.726 -9.422 21.995 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.633 -10.759 20.264 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.890 -9.226 22.881 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.222 -10.037 22.082 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.666 -12.159 22.204 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.813 -11.248 23.434 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.728 -11.131 24.848 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.823 -11.566 23.551 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.981 -13.720 23.923 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.648 -12.077 25.551 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.147 -13.521 26.439 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.629 -15.570 25.069 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.010 -15.489 26.168 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.121 -7.728 19.820 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.527 -6.509 19.132 1.00 0.00 C ATOM 1136 C ALA A 72 -2.622 -6.226 17.937 1.00 0.00 C ATOM 1137 O ALA A 72 -3.086 -5.792 16.882 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.517 -5.331 20.095 1.00 0.00 C ATOM 0 H ALA A 72 -2.119 -7.797 20.000 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.542 -6.651 18.760 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.822 -4.427 19.568 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.210 -5.525 20.914 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.512 -5.196 20.494 1.00 0.00 H new ATOM 1144 N THR A 73 -1.328 -6.473 18.110 1.00 0.00 N ATOM 1145 CA THR A 73 -0.357 -6.243 17.047 1.00 0.00 C ATOM 1146 C THR A 73 0.419 -7.515 16.726 1.00 0.00 C ATOM 1147 O THR A 73 0.537 -8.411 17.563 1.00 0.00 O ATOM 1148 CB THR A 73 0.637 -5.129 17.425 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.351 -4.694 16.263 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.621 -5.617 18.477 1.00 0.00 C ATOM 0 H THR A 73 -0.927 -6.833 18.976 1.00 0.00 H new ATOM 0 HA THR A 73 -0.920 -5.933 16.167 1.00 0.00 H new ATOM 0 HB THR A 73 0.072 -4.293 17.838 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.715 -4.485 15.547 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.313 -4.813 18.728 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.077 -5.920 19.371 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.179 -6.468 18.086 1.00 0.00 H new ATOM 1158 N THR A 74 0.949 -7.588 15.509 1.00 0.00 N ATOM 1159 CA THR A 74 1.714 -8.751 15.078 1.00 0.00 C ATOM 1160 C THR A 74 2.971 -8.926 15.922 1.00 0.00 C ATOM 1161 O THR A 74 3.379 -8.015 16.643 1.00 0.00 O ATOM 1162 CB THR A 74 2.116 -8.641 13.595 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.846 -9.807 13.197 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.964 -7.400 13.355 1.00 0.00 C ATOM 0 H THR A 74 0.862 -6.855 14.805 1.00 0.00 H new ATOM 0 HA THR A 74 1.069 -9.620 15.208 1.00 0.00 H new ATOM 0 HB THR A 74 1.206 -8.562 13.000 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.096 -9.730 12.253 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.236 -7.343 12.301 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.396 -6.512 13.631 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.869 -7.455 13.961 1.00 0.00 H new ATOM 1172 N LEU A 75 3.583 -10.101 15.827 1.00 0.00 N ATOM 1173 CA LEU A 75 4.796 -10.396 16.582 1.00 0.00 C ATOM 1174 C LEU A 75 5.898 -9.394 16.254 1.00 0.00 C ATOM 1175 O LEU A 75 6.479 -8.779 17.149 1.00 0.00 O ATOM 1176 CB LEU A 75 5.276 -11.816 16.281 1.00 0.00 C ATOM 1177 CG LEU A 75 6.702 -12.151 16.721 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.899 -11.818 18.191 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.011 -13.617 16.458 1.00 0.00 C ATOM 0 H LEU A 75 3.259 -10.865 15.234 1.00 0.00 H new ATOM 0 HA LEU A 75 4.562 -10.317 17.644 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.595 -12.518 16.762 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.200 -11.983 15.207 1.00 0.00 H new ATOM 0 HG LEU A 75 7.394 -11.544 16.137 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.919 -12.063 18.486 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.721 -10.755 18.350 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.198 -12.397 18.792 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.030 -13.837 16.777 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.313 -14.242 17.015 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.912 -13.824 15.392 1.00 0.00 H new ATOM 1191 N TYR A 76 6.180 -9.233 14.966 1.00 0.00 N ATOM 1192 CA TYR A 76 7.212 -8.306 14.519 1.00 0.00 C ATOM 1193 C TYR A 76 7.035 -6.938 15.171 1.00 0.00 C ATOM 1194 O TYR A 76 7.978 -6.375 15.726 1.00 0.00 O ATOM 1195 CB TYR A 76 7.177 -8.166 12.996 1.00 0.00 C ATOM 1196 CG TYR A 76 8.304 -7.325 12.439 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.283 -5.940 12.550 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.389 -7.915 11.803 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.310 -5.167 12.042 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.420 -7.150 11.293 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.376 -5.777 11.415 1.00 0.00 C ATOM 1202 OH TYR A 76 11.401 -5.011 10.909 1.00 0.00 O ATOM 0 H TYR A 76 5.708 -9.733 14.213 1.00 0.00 H new ATOM 0 HA TYR A 76 8.180 -8.708 14.818 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.219 -9.158 12.547 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.225 -7.724 12.702 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.450 -5.459 13.042 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.427 -8.990 11.706 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.278 -4.092 12.136 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.256 -7.625 10.801 1.00 0.00 H new ATOM 0 HH TYR A 76 12.074 -5.594 10.500 1.00 0.00 H new ATOM 1212 N ASN A 77 5.818 -6.409 15.099 1.00 0.00 N ATOM 1213 CA ASN A 77 5.515 -5.106 15.682 1.00 0.00 C ATOM 1214 C ASN A 77 5.671 -5.140 17.199 1.00 0.00 C ATOM 1215 O ASN A 77 6.125 -4.171 17.810 1.00 0.00 O ATOM 1216 CB ASN A 77 4.093 -4.678 15.313 1.00 0.00 C ATOM 1217 CG ASN A 77 3.925 -4.452 13.823 1.00 0.00 C ATOM 1218 OD1 ASN A 77 4.899 -4.454 13.070 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.685 -4.256 13.391 1.00 0.00 N ATOM 0 H ASN A 77 5.026 -6.862 14.643 1.00 0.00 H new ATOM 0 HA ASN A 77 6.222 -4.381 15.278 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.389 -5.442 15.643 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.842 -3.762 15.847 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.510 -4.099 12.399 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.908 -4.263 14.052 1.00 0.00 H new ATOM 1226 N THR A 78 5.292 -6.262 17.803 1.00 0.00 N ATOM 1227 CA THR A 78 5.389 -6.422 19.248 1.00 0.00 C ATOM 1228 C THR A 78 6.816 -6.193 19.732 1.00 0.00 C ATOM 1229 O THR A 78 7.039 -5.513 20.733 1.00 0.00 O ATOM 1230 CB THR A 78 4.929 -7.824 19.690 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.594 -8.069 19.231 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.982 -7.959 21.204 1.00 0.00 C ATOM 0 H THR A 78 4.915 -7.073 17.313 1.00 0.00 H new ATOM 0 HA THR A 78 4.732 -5.674 19.693 1.00 0.00 H new ATOM 0 HB THR A 78 5.605 -8.559 19.252 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.622 -8.426 18.319 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.653 -8.957 21.492 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.004 -7.801 21.548 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.327 -7.216 21.659 1.00 0.00 H new ATOM 1240 N GLU A 79 7.779 -6.764 19.015 1.00 0.00 N ATOM 1241 CA GLU A 79 9.185 -6.620 19.373 1.00 0.00 C ATOM 1242 C GLU A 79 9.618 -5.158 19.304 1.00 0.00 C ATOM 1243 O GLU A 79 10.397 -4.690 20.134 1.00 0.00 O ATOM 1244 CB GLU A 79 10.060 -7.466 18.445 1.00 0.00 C ATOM 1245 CG GLU A 79 9.950 -8.960 18.700 1.00 0.00 C ATOM 1246 CD GLU A 79 11.299 -9.652 18.708 1.00 0.00 C ATOM 1247 OE1 GLU A 79 11.757 -10.070 17.623 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.898 -9.775 19.797 1.00 0.00 O ATOM 0 H GLU A 79 7.611 -7.330 18.183 1.00 0.00 H new ATOM 0 HA GLU A 79 9.309 -6.970 20.398 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.783 -7.261 17.411 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.100 -7.161 18.562 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.455 -9.126 19.657 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.320 -9.410 17.933 1.00 0.00 H new ATOM 1255 N VAL A 80 9.106 -4.442 18.308 1.00 0.00 N ATOM 1256 CA VAL A 80 9.438 -3.034 18.130 1.00 0.00 C ATOM 1257 C VAL A 80 8.896 -2.192 19.280 1.00 0.00 C ATOM 1258 O VAL A 80 9.638 -1.446 19.921 1.00 0.00 O ATOM 1259 CB VAL A 80 8.880 -2.489 16.802 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.180 -1.004 16.666 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.451 -3.266 15.626 1.00 0.00 C ATOM 0 H VAL A 80 8.460 -4.814 17.612 1.00 0.00 H new ATOM 0 HA VAL A 80 10.526 -2.965 18.114 1.00 0.00 H new ATOM 0 HB VAL A 80 7.798 -2.618 16.802 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.778 -0.637 15.722 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.719 -0.462 17.492 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.258 -0.847 16.687 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.046 -2.868 14.696 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.537 -3.170 15.620 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.180 -4.318 15.719 1.00 0.00 H new ATOM 1271 N LEU A 81 7.599 -2.316 19.536 1.00 0.00 N ATOM 1272 CA LEU A 81 6.956 -1.566 20.610 1.00 0.00 C ATOM 1273 C LEU A 81 7.600 -1.883 21.956 1.00 0.00 C ATOM 1274 O LEU A 81 8.049 -0.984 22.669 1.00 0.00 O ATOM 1275 CB LEU A 81 5.461 -1.888 20.659 1.00 0.00 C ATOM 1276 CG LEU A 81 4.677 -1.631 19.372 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.273 -2.206 19.478 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.624 -0.141 19.068 1.00 0.00 C ATOM 0 H LEU A 81 6.971 -2.928 19.015 1.00 0.00 H new ATOM 0 HA LEU A 81 7.086 -0.503 20.407 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.344 -2.938 20.928 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.009 -1.302 21.459 1.00 0.00 H new ATOM 0 HG LEU A 81 5.191 -2.131 18.551 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.730 -2.013 18.553 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.332 -3.281 19.647 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.749 -1.736 20.310 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.062 0.023 18.149 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.135 0.381 19.890 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.637 0.242 18.947 1.00 0.00 H new ATOM 1290 N LEU A 82 7.645 -3.166 22.298 1.00 0.00 N ATOM 1291 CA LEU A 82 8.236 -3.602 23.558 1.00 0.00 C ATOM 1292 C LEU A 82 9.660 -3.075 23.702 1.00 0.00 C ATOM 1293 O LEU A 82 10.038 -2.558 24.753 1.00 0.00 O ATOM 1294 CB LEU A 82 8.234 -5.130 23.643 1.00 0.00 C ATOM 1295 CG LEU A 82 7.006 -5.764 24.296 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.001 -5.500 25.793 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.730 -5.237 23.655 1.00 0.00 C ATOM 0 H LEU A 82 7.279 -3.923 21.720 1.00 0.00 H new ATOM 0 HA LEU A 82 7.635 -3.198 24.373 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.331 -5.530 22.634 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.118 -5.444 24.197 1.00 0.00 H new ATOM 0 HG LEU A 82 7.050 -6.842 24.139 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.119 -5.959 26.240 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.899 -5.926 26.241 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.981 -4.425 25.973 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.866 -5.699 24.132 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.679 -4.156 23.781 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.730 -5.479 22.592 1.00 0.00 H new ATOM 1309 N SER A 83 10.446 -3.209 22.638 1.00 0.00 N ATOM 1310 CA SER A 83 11.829 -2.748 22.646 1.00 0.00 C ATOM 1311 C SER A 83 11.896 -1.235 22.831 1.00 0.00 C ATOM 1312 O SER A 83 12.676 -0.730 23.640 1.00 0.00 O ATOM 1313 CB SER A 83 12.529 -3.145 21.345 1.00 0.00 C ATOM 1314 OG SER A 83 13.875 -2.702 21.335 1.00 0.00 O ATOM 0 H SER A 83 10.148 -3.633 21.760 1.00 0.00 H new ATOM 0 HA SER A 83 12.339 -3.223 23.484 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.498 -4.228 21.228 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.996 -2.717 20.496 1.00 0.00 H new ATOM 0 HG SER A 83 14.301 -2.969 20.494 1.00 0.00 H new ATOM 1320 N HIS A 84 11.073 -0.515 22.075 1.00 0.00 N ATOM 1321 CA HIS A 84 11.038 0.941 22.155 1.00 0.00 C ATOM 1322 C HIS A 84 10.670 1.399 23.563 1.00 0.00 C ATOM 1323 O HIS A 84 11.401 2.169 24.187 1.00 0.00 O ATOM 1324 CB HIS A 84 10.037 1.504 21.145 1.00 0.00 C ATOM 1325 CG HIS A 84 10.231 2.961 20.858 1.00 0.00 C ATOM 1326 ND1 HIS A 84 9.476 3.952 21.449 1.00 0.00 N ATOM 1327 CD2 HIS A 84 11.103 3.593 20.038 1.00 0.00 C ATOM 1328 CE1 HIS A 84 9.874 5.130 21.003 1.00 0.00 C ATOM 1329 NE2 HIS A 84 10.860 4.940 20.146 1.00 0.00 N ATOM 0 H HIS A 84 10.422 -0.916 21.400 1.00 0.00 H new ATOM 0 HA HIS A 84 12.033 1.318 21.918 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.120 0.944 20.213 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.026 1.348 21.522 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.851 3.125 19.415 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.463 6.086 21.291 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.360 5.675 19.645 1.00 0.00 H new ATOM 1337 N LEU A 85 9.533 0.921 24.057 1.00 0.00 N ATOM 1338 CA LEU A 85 9.068 1.282 25.392 1.00 0.00 C ATOM 1339 C LEU A 85 10.108 0.920 26.447 1.00 0.00 C ATOM 1340 O LEU A 85 10.212 1.579 27.482 1.00 0.00 O ATOM 1341 CB LEU A 85 7.745 0.578 25.700 1.00 0.00 C ATOM 1342 CG LEU A 85 6.622 1.465 26.237 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.596 1.745 25.150 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.959 0.815 27.443 1.00 0.00 C ATOM 0 H LEU A 85 8.916 0.283 23.554 1.00 0.00 H new ATOM 0 HA LEU A 85 8.913 2.361 25.417 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.394 0.093 24.789 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.937 -0.211 26.427 1.00 0.00 H new ATOM 0 HG LEU A 85 7.055 2.414 26.553 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.804 2.378 25.551 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.079 2.253 24.316 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.168 0.805 24.803 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.162 1.461 27.812 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.540 -0.149 27.153 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.699 0.667 28.229 1.00 0.00 H new ATOM 1356 N SER A 86 10.876 -0.130 26.178 1.00 0.00 N ATOM 1357 CA SER A 86 11.907 -0.581 27.105 1.00 0.00 C ATOM 1358 C SER A 86 12.875 0.552 27.434 1.00 0.00 C ATOM 1359 O SER A 86 13.399 0.633 28.545 1.00 0.00 O ATOM 1360 CB SER A 86 12.673 -1.766 26.513 1.00 0.00 C ATOM 1361 OG SER A 86 13.937 -1.359 26.017 1.00 0.00 O ATOM 0 H SER A 86 10.804 -0.685 25.325 1.00 0.00 H new ATOM 0 HA SER A 86 11.419 -0.898 28.027 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.808 -2.533 27.275 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.090 -2.215 25.708 1.00 0.00 H new ATOM 0 HG SER A 86 13.840 -1.045 25.094 1.00 0.00 H new ATOM 1367 N TYR A 87 13.108 1.423 26.459 1.00 0.00 N ATOM 1368 CA TYR A 87 14.015 2.551 26.642 1.00 0.00 C ATOM 1369 C TYR A 87 13.304 3.717 27.321 1.00 0.00 C ATOM 1370 O TYR A 87 13.822 4.309 28.269 1.00 0.00 O ATOM 1371 CB TYR A 87 14.583 3.000 25.295 1.00 0.00 C ATOM 1372 CG TYR A 87 15.434 4.246 25.381 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.703 4.206 25.948 1.00 0.00 C ATOM 1374 CD2 TYR A 87 14.971 5.463 24.898 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.484 5.343 26.030 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.746 6.604 24.975 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.001 6.539 25.542 1.00 0.00 C ATOM 1378 OH TYR A 87 17.776 7.673 25.621 1.00 0.00 O ATOM 0 H TYR A 87 12.682 1.370 25.534 1.00 0.00 H new ATOM 0 HA TYR A 87 14.834 2.225 27.283 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.180 2.191 24.874 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.759 3.180 24.605 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.085 3.271 26.331 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.988 5.518 24.454 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.467 5.295 26.474 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.371 7.542 24.593 1.00 0.00 H new ATOM 0 HH TYR A 87 17.290 8.429 25.232 1.00 0.00 H new ATOM 1388 N LEU A 88 12.113 4.042 26.830 1.00 0.00 N ATOM 1389 CA LEU A 88 11.328 5.137 27.389 1.00 0.00 C ATOM 1390 C LEU A 88 11.065 4.916 28.875 1.00 0.00 C ATOM 1391 O LEU A 88 11.238 5.824 29.688 1.00 0.00 O ATOM 1392 CB LEU A 88 10.002 5.274 26.639 1.00 0.00 C ATOM 1393 CG LEU A 88 10.099 5.385 25.117 1.00 0.00 C ATOM 1394 CD1 LEU A 88 8.877 4.766 24.457 1.00 0.00 C ATOM 1395 CD2 LEU A 88 10.255 6.839 24.697 1.00 0.00 C ATOM 0 H LEU A 88 11.670 3.563 26.046 1.00 0.00 H new ATOM 0 HA LEU A 88 11.900 6.057 27.274 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.380 4.412 26.881 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.485 6.156 27.015 1.00 0.00 H new ATOM 0 HG LEU A 88 10.981 4.836 24.788 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.964 4.855 23.374 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.810 3.713 24.731 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.980 5.286 24.792 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.322 6.899 23.611 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.393 7.411 25.039 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.162 7.250 25.140 1.00 0.00 H new