USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 587 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 46 LYS NZ :NH3+ -169:sc= 1.18 (180deg=-0.253) USER MOD Set 1.2: A 50 SER OG : rot 78:sc= 1.21 USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0125) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.21 K(o=-2.2,f=-5.1!) USER MOD Single : A 31 SER OG : rot -39:sc= 0.599 USER MOD Single : A 32 SER OG : rot 92:sc= 1.22 USER MOD Single : A 35 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -142:sc= -0.831 (180deg=-1.87!) USER MOD Single : A 41 THR OG1 : rot 31:sc= 0.89 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.385 X(o=-0.38,f=0.069) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.09 (180deg=0.871) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 0.0379 (180deg=-0.9!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 70:sc= 0.0391 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.231 F(o=-2.9!,f=-0.23) USER MOD Single : A 59 MET CE :methyl -162:sc= -5.99! (180deg=-6.71!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0374 USER MOD Single : A 69 GLN : amide:sc= -0.726 K(o=-0.73,f=-2.8!) USER MOD Single : A 74 ASN : amide:sc= 1.23 K(o=1.2,f=-0.05) USER MOD Single : A 75 HIS : no HE2:sc= 0.712 K(o=0.71,f=-4.1!) USER MOD Single : A 76 THR OG1 : rot -107:sc= -2.84! USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= 1.13 (180deg=0.911) USER MOD Single : A 82 MET CE :methyl 152:sc= -1.51 (180deg=-5.34!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.34! X(o=-1.3!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -7.549 6.737 9.456 1.00 0.00 N ATOM 312 CA ILE A 22 -8.623 6.307 8.597 1.00 0.00 C ATOM 313 C ILE A 22 -8.359 4.897 8.122 1.00 0.00 C ATOM 314 O ILE A 22 -7.209 4.468 8.023 1.00 0.00 O ATOM 315 CB ILE A 22 -8.762 7.206 7.365 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.407 7.397 6.701 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.388 8.543 7.731 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.497 7.507 5.215 1.00 0.00 C ATOM 0 HA ILE A 22 -9.544 6.360 9.177 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.428 6.718 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.937 8.296 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.760 6.559 6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.475 9.161 6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.378 8.377 8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.760 9.050 8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.499 7.642 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.939 6.597 4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.119 8.362 4.950 1.00 0.00 H new ATOM 330 N LYS A 23 -9.407 4.178 7.810 1.00 0.00 N ATOM 331 CA LYS A 23 -9.273 2.812 7.342 1.00 0.00 C ATOM 332 C LYS A 23 -9.487 2.742 5.844 1.00 0.00 C ATOM 333 O LYS A 23 -10.369 3.384 5.314 1.00 0.00 O ATOM 334 CB LYS A 23 -10.225 1.861 8.115 1.00 0.00 C ATOM 335 CG LYS A 23 -11.675 2.340 8.225 1.00 0.00 C ATOM 336 CD LYS A 23 -12.469 2.068 6.959 1.00 0.00 C ATOM 337 CE LYS A 23 -13.811 2.778 6.974 1.00 0.00 C ATOM 338 NZ LYS A 23 -14.683 2.322 8.089 1.00 0.00 N ATOM 0 H LYS A 23 -10.369 4.513 7.870 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.257 2.473 7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.217 0.887 7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.830 1.715 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.157 1.843 9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.687 3.409 8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.894 2.394 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.626 0.995 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.649 3.853 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.320 2.607 6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.617 2.773 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.792 1.289 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.251 2.585 8.998 1.00 0.00 H new ATOM 352 N LEU A 24 -8.642 2.006 5.162 1.00 0.00 N ATOM 353 CA LEU A 24 -8.740 1.850 3.725 1.00 0.00 C ATOM 354 C LEU A 24 -8.596 0.381 3.351 1.00 0.00 C ATOM 355 O LEU A 24 -8.424 -0.483 4.224 1.00 0.00 O ATOM 356 CB LEU A 24 -7.679 2.681 2.991 1.00 0.00 C ATOM 357 CG LEU A 24 -7.508 4.123 3.450 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.533 4.209 4.616 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.042 4.982 2.301 1.00 0.00 C ATOM 0 H LEU A 24 -7.866 1.497 5.585 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.721 2.213 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.719 2.175 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.925 2.688 1.929 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.474 4.493 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.427 5.249 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.911 3.618 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.562 3.822 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.923 6.011 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.087 4.609 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.779 4.948 1.499 1.00 0.00 H new ATOM 371 N LYS A 25 -8.632 0.098 2.061 1.00 0.00 N ATOM 372 CA LYS A 25 -8.574 -1.262 1.567 1.00 0.00 C ATOM 373 C LYS A 25 -7.819 -1.317 0.252 1.00 0.00 C ATOM 374 O LYS A 25 -7.929 -0.422 -0.581 1.00 0.00 O ATOM 375 CB LYS A 25 -9.989 -1.809 1.398 1.00 0.00 C ATOM 376 CG LYS A 25 -10.080 -3.141 0.654 1.00 0.00 C ATOM 377 CD LYS A 25 -10.761 -2.977 -0.700 1.00 0.00 C ATOM 378 CE LYS A 25 -12.170 -2.434 -0.539 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.873 -2.276 -1.832 1.00 0.00 N ATOM 0 H LYS A 25 -8.702 0.805 1.329 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.041 -1.880 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.436 -1.929 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.587 -1.070 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.079 -3.549 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.635 -3.859 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.177 -2.302 -1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.794 -3.938 -1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.742 -3.105 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.128 -1.469 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.829 -1.903 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.344 -1.615 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.940 -3.199 -2.306 1.00 0.00 H new ATOM 393 N VAL A 26 -7.051 -2.365 0.056 1.00 0.00 N ATOM 394 CA VAL A 26 -6.272 -2.509 -1.168 1.00 0.00 C ATOM 395 C VAL A 26 -6.375 -3.927 -1.695 1.00 0.00 C ATOM 396 O VAL A 26 -6.414 -4.886 -0.919 1.00 0.00 O ATOM 397 CB VAL A 26 -4.768 -2.130 -0.975 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.626 -0.843 -0.193 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.996 -3.241 -0.300 1.00 0.00 C ATOM 0 H VAL A 26 -6.945 -3.131 0.721 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.695 -1.811 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.345 -1.980 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.569 -0.604 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.123 -0.035 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.084 -0.962 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.955 -2.941 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.429 -3.441 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.048 -4.143 -0.910 1.00 0.00 H new ATOM 409 N ILE A 27 -6.465 -4.060 -3.005 1.00 0.00 N ATOM 410 CA ILE A 27 -6.565 -5.360 -3.646 1.00 0.00 C ATOM 411 C ILE A 27 -5.470 -5.515 -4.684 1.00 0.00 C ATOM 412 O ILE A 27 -5.183 -4.589 -5.457 1.00 0.00 O ATOM 413 CB ILE A 27 -7.936 -5.523 -4.330 1.00 0.00 C ATOM 414 CG1 ILE A 27 -9.044 -5.241 -3.324 1.00 0.00 C ATOM 415 CG2 ILE A 27 -8.090 -6.926 -4.915 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.389 -4.992 -3.953 1.00 0.00 C ATOM 0 H ILE A 27 -6.471 -3.273 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.454 -6.127 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.006 -4.809 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.124 -6.086 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.767 -4.373 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.066 -7.016 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.307 -7.100 -5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -8.007 -7.664 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.125 -4.799 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.327 -4.128 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.690 -5.868 -4.527 1.00 0.00 H new ATOM 428 N GLY A 28 -4.853 -6.672 -4.714 1.00 0.00 N ATOM 429 CA GLY A 28 -3.785 -6.895 -5.651 1.00 0.00 C ATOM 430 C GLY A 28 -4.085 -7.999 -6.624 1.00 0.00 C ATOM 431 O GLY A 28 -5.108 -8.675 -6.521 1.00 0.00 O ATOM 0 H GLY A 28 -5.070 -7.463 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.593 -5.974 -6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.873 -7.136 -5.105 1.00 0.00 H new ATOM 435 N GLN A 29 -3.170 -8.209 -7.564 1.00 0.00 N ATOM 436 CA GLN A 29 -3.310 -9.237 -8.602 1.00 0.00 C ATOM 437 C GLN A 29 -3.283 -10.651 -8.014 1.00 0.00 C ATOM 438 O GLN A 29 -3.446 -11.638 -8.726 1.00 0.00 O ATOM 439 CB GLN A 29 -2.213 -9.082 -9.665 1.00 0.00 C ATOM 440 CG GLN A 29 -0.804 -9.495 -9.225 1.00 0.00 C ATOM 441 CD GLN A 29 -0.272 -8.703 -8.041 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.254 -7.615 -8.197 1.00 0.00 O ATOM 443 NE2 GLN A 29 -0.371 -9.270 -6.857 1.00 0.00 N ATOM 0 H GLN A 29 -2.306 -7.672 -7.632 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.283 -9.094 -9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.490 -9.674 -10.537 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.184 -8.040 -9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.810 -10.554 -8.968 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.121 -9.375 -10.066 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.818 -10.182 -6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.001 -8.797 -6.033 1.00 0.00 H new ATOM 452 N ASP A 30 -3.061 -10.743 -6.713 1.00 0.00 N ATOM 453 CA ASP A 30 -3.063 -12.019 -6.013 1.00 0.00 C ATOM 454 C ASP A 30 -4.499 -12.382 -5.644 1.00 0.00 C ATOM 455 O ASP A 30 -4.773 -13.442 -5.096 1.00 0.00 O ATOM 456 CB ASP A 30 -2.194 -11.917 -4.748 1.00 0.00 C ATOM 457 CG ASP A 30 -2.065 -13.231 -4.002 1.00 0.00 C ATOM 458 OD1 ASP A 30 -1.270 -14.091 -4.432 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.743 -13.401 -2.969 1.00 0.00 O ATOM 0 H ASP A 30 -2.875 -9.939 -6.113 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.650 -12.796 -6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.200 -11.566 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.622 -11.169 -4.081 1.00 0.00 H new ATOM 464 N SER A 31 -5.422 -11.462 -5.966 1.00 0.00 N ATOM 465 CA SER A 31 -6.849 -11.600 -5.661 1.00 0.00 C ATOM 466 C SER A 31 -7.099 -11.452 -4.157 1.00 0.00 C ATOM 467 O SER A 31 -8.208 -11.679 -3.665 1.00 0.00 O ATOM 468 CB SER A 31 -7.410 -12.937 -6.193 1.00 0.00 C ATOM 469 OG SER A 31 -8.821 -13.010 -6.027 1.00 0.00 O ATOM 0 H SER A 31 -5.193 -10.594 -6.450 1.00 0.00 H new ATOM 0 HA SER A 31 -7.381 -10.797 -6.172 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.160 -13.044 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.937 -13.767 -5.668 1.00 0.00 H new ATOM 0 HG SER A 31 -9.070 -12.617 -5.165 1.00 0.00 H new ATOM 475 N SER A 32 -6.071 -11.044 -3.434 1.00 0.00 N ATOM 476 CA SER A 32 -6.170 -10.843 -2.011 1.00 0.00 C ATOM 477 C SER A 32 -6.347 -9.368 -1.707 1.00 0.00 C ATOM 478 O SER A 32 -6.130 -8.512 -2.579 1.00 0.00 O ATOM 479 CB SER A 32 -4.920 -11.383 -1.323 1.00 0.00 C ATOM 480 OG SER A 32 -4.801 -12.779 -1.518 1.00 0.00 O ATOM 0 H SER A 32 -5.149 -10.845 -3.822 1.00 0.00 H new ATOM 0 HA SER A 32 -7.038 -11.382 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.037 -10.880 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.963 -11.163 -0.256 1.00 0.00 H new ATOM 0 HG SER A 32 -4.264 -12.953 -2.319 1.00 0.00 H new ATOM 486 N GLU A 33 -6.721 -9.056 -0.480 1.00 0.00 N ATOM 487 CA GLU A 33 -6.935 -7.686 -0.085 1.00 0.00 C ATOM 488 C GLU A 33 -6.629 -7.509 1.392 1.00 0.00 C ATOM 489 O GLU A 33 -6.539 -8.485 2.139 1.00 0.00 O ATOM 490 CB GLU A 33 -8.380 -7.235 -0.391 1.00 0.00 C ATOM 491 CG GLU A 33 -9.451 -7.781 0.554 1.00 0.00 C ATOM 492 CD GLU A 33 -9.710 -9.264 0.391 1.00 0.00 C ATOM 493 OE1 GLU A 33 -10.471 -9.643 -0.522 1.00 0.00 O ATOM 494 OE2 GLU A 33 -9.181 -10.062 1.198 1.00 0.00 O ATOM 0 H GLU A 33 -6.882 -9.740 0.259 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.257 -7.059 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.416 -6.146 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.629 -7.537 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.149 -7.585 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.381 -7.238 0.386 1.00 0.00 H new ATOM 501 N ILE A 34 -6.450 -6.275 1.815 1.00 0.00 N ATOM 502 CA ILE A 34 -6.190 -5.985 3.212 1.00 0.00 C ATOM 503 C ILE A 34 -6.821 -4.655 3.618 1.00 0.00 C ATOM 504 O ILE A 34 -6.926 -3.723 2.805 1.00 0.00 O ATOM 505 CB ILE A 34 -4.668 -5.962 3.522 1.00 0.00 C ATOM 506 CG1 ILE A 34 -4.430 -5.806 5.020 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.982 -4.845 2.765 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.032 -6.136 5.443 1.00 0.00 C ATOM 0 H ILE A 34 -6.480 -5.454 1.211 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.643 -6.787 3.794 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.242 -6.911 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.656 -4.780 5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.125 -6.450 5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.917 -4.848 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.120 -4.993 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.414 -3.888 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.937 -6.002 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.808 -7.171 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.332 -5.475 4.932 1.00 0.00 H new ATOM 520 N HIS A 35 -7.294 -4.587 4.852 1.00 0.00 N ATOM 521 CA HIS A 35 -7.851 -3.364 5.411 1.00 0.00 C ATOM 522 C HIS A 35 -6.904 -2.852 6.474 1.00 0.00 C ATOM 523 O HIS A 35 -6.308 -3.638 7.206 1.00 0.00 O ATOM 524 CB HIS A 35 -9.235 -3.613 6.038 1.00 0.00 C ATOM 525 CG HIS A 35 -10.300 -4.057 5.075 1.00 0.00 C ATOM 526 ND1 HIS A 35 -11.642 -4.012 5.373 1.00 0.00 N ATOM 527 CD2 HIS A 35 -10.216 -4.580 3.831 1.00 0.00 C ATOM 528 CE1 HIS A 35 -12.335 -4.488 4.363 1.00 0.00 C ATOM 529 NE2 HIS A 35 -11.497 -4.842 3.410 1.00 0.00 N ATOM 0 H HIS A 35 -7.303 -5.378 5.495 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.972 -2.633 4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.133 -4.369 6.817 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.567 -2.696 6.525 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.309 -4.759 3.272 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.411 -4.574 4.321 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.756 -5.244 2.509 1.00 0.00 H new ATOM 538 N PHE A 36 -6.743 -1.556 6.566 1.00 0.00 N ATOM 539 CA PHE A 36 -5.824 -0.981 7.544 1.00 0.00 C ATOM 540 C PHE A 36 -6.233 0.421 7.920 1.00 0.00 C ATOM 541 O PHE A 36 -6.834 1.137 7.123 1.00 0.00 O ATOM 542 CB PHE A 36 -4.386 -0.969 6.989 1.00 0.00 C ATOM 543 CG PHE A 36 -4.292 -0.494 5.568 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.361 0.855 5.259 1.00 0.00 C ATOM 545 CD2 PHE A 36 -4.147 -1.405 4.541 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.285 1.281 3.952 1.00 0.00 C ATOM 547 CE2 PHE A 36 -4.073 -0.986 3.236 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.142 0.360 2.940 1.00 0.00 C ATOM 0 H PHE A 36 -7.229 -0.874 5.984 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.861 -1.604 8.438 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.768 -0.329 7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.972 -1.975 7.055 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.476 1.580 6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.091 -2.460 4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.337 2.335 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.961 -1.709 2.442 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.084 0.691 1.914 1.00 0.00 H new ATOM 584 N VAL A 38 -4.522 3.738 8.833 1.00 0.00 N ATOM 585 CA VAL A 38 -3.288 4.493 8.878 1.00 0.00 C ATOM 586 C VAL A 38 -3.537 5.923 9.324 1.00 0.00 C ATOM 587 O VAL A 38 -4.660 6.301 9.639 1.00 0.00 O ATOM 588 CB VAL A 38 -2.570 4.500 7.504 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.146 3.094 7.119 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.461 5.107 6.426 1.00 0.00 C ATOM 0 HA VAL A 38 -2.643 3.998 9.605 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.677 5.119 7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.644 3.117 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.464 2.700 7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.026 2.453 7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.934 5.100 5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.377 4.522 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.710 6.133 6.695 1.00 0.00 H new ATOM 600 N LYS A 39 -2.495 6.725 9.319 1.00 0.00 N ATOM 601 CA LYS A 39 -2.582 8.102 9.759 1.00 0.00 C ATOM 602 C LYS A 39 -2.923 8.999 8.584 1.00 0.00 C ATOM 603 O LYS A 39 -2.670 8.640 7.430 1.00 0.00 O ATOM 604 CB LYS A 39 -1.249 8.543 10.374 1.00 0.00 C ATOM 605 CG LYS A 39 -0.735 7.617 11.463 1.00 0.00 C ATOM 606 CD LYS A 39 0.643 8.035 11.958 1.00 0.00 C ATOM 607 CE LYS A 39 1.192 7.034 12.967 1.00 0.00 C ATOM 608 NZ LYS A 39 2.556 7.396 13.438 1.00 0.00 N ATOM 0 H LYS A 39 -1.565 6.443 9.011 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.366 8.182 10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.501 8.609 9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.365 9.545 10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.436 7.614 12.298 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.690 6.597 11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.327 8.116 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.584 9.022 12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.518 6.977 13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.218 6.043 12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.887 6.686 14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.207 7.425 12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.529 8.330 13.894 1.00 0.00 H new ATOM 622 N MET A 40 -3.503 10.163 8.873 1.00 0.00 N ATOM 623 CA MET A 40 -3.838 11.153 7.844 1.00 0.00 C ATOM 624 C MET A 40 -2.620 11.433 6.977 1.00 0.00 C ATOM 625 O MET A 40 -2.708 11.517 5.753 1.00 0.00 O ATOM 626 CB MET A 40 -4.324 12.452 8.501 1.00 0.00 C ATOM 627 CG MET A 40 -4.794 13.539 7.527 1.00 0.00 C ATOM 628 SD MET A 40 -6.370 13.156 6.715 1.00 0.00 S ATOM 629 CE MET A 40 -5.829 12.236 5.272 1.00 0.00 C ATOM 0 H MET A 40 -3.754 10.448 9.820 1.00 0.00 H new ATOM 0 HA MET A 40 -4.636 10.755 7.217 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.144 12.213 9.178 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.516 12.857 9.110 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.893 14.481 8.067 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.029 13.687 6.765 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.451 12.501 4.417 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.789 12.480 5.054 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.918 11.167 5.468 1.00 0.00 H new ATOM 639 N THR A 41 -1.476 11.571 7.612 1.00 0.00 N ATOM 640 CA THR A 41 -0.252 11.774 6.895 1.00 0.00 C ATOM 641 C THR A 41 0.766 10.709 7.326 1.00 0.00 C ATOM 642 O THR A 41 1.144 10.638 8.499 1.00 0.00 O ATOM 643 CB THR A 41 0.307 13.198 7.184 1.00 0.00 C ATOM 644 OG1 THR A 41 0.783 13.274 8.539 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.795 14.240 7.006 1.00 0.00 C ATOM 0 H THR A 41 -1.376 11.545 8.627 1.00 0.00 H new ATOM 0 HA THR A 41 -0.438 11.686 5.825 1.00 0.00 H new ATOM 0 HB THR A 41 1.123 13.393 6.488 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.111 12.394 8.820 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.394 15.233 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.169 14.203 5.983 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.611 14.029 7.698 1.00 0.00 H new ATOM 653 N THR A 42 1.185 9.863 6.393 1.00 0.00 N ATOM 654 CA THR A 42 2.163 8.820 6.680 1.00 0.00 C ATOM 655 C THR A 42 2.567 8.103 5.397 1.00 0.00 C ATOM 656 O THR A 42 1.831 8.124 4.406 1.00 0.00 O ATOM 657 CB THR A 42 1.617 7.777 7.701 1.00 0.00 C ATOM 658 OG1 THR A 42 2.678 6.909 8.141 1.00 0.00 O ATOM 659 CG2 THR A 42 0.515 6.928 7.077 1.00 0.00 C ATOM 0 H THR A 42 0.861 9.879 5.426 1.00 0.00 H new ATOM 0 HA THR A 42 3.032 9.308 7.121 1.00 0.00 H new ATOM 0 HB THR A 42 1.209 8.326 8.550 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.324 6.259 8.783 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.151 6.208 7.810 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.306 7.572 6.762 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.911 6.396 6.212 1.00 0.00 H new ATOM 667 N HIS A 43 3.727 7.474 5.405 1.00 0.00 N ATOM 668 CA HIS A 43 4.174 6.692 4.263 1.00 0.00 C ATOM 669 C HIS A 43 3.318 5.442 4.122 1.00 0.00 C ATOM 670 O HIS A 43 3.135 4.689 5.085 1.00 0.00 O ATOM 671 CB HIS A 43 5.635 6.266 4.422 1.00 0.00 C ATOM 672 CG HIS A 43 6.630 7.383 4.358 1.00 0.00 C ATOM 673 ND1 HIS A 43 7.704 7.482 5.214 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.730 8.434 3.512 1.00 0.00 C ATOM 675 CE1 HIS A 43 8.420 8.543 4.899 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.849 9.137 3.868 1.00 0.00 N ATOM 0 H HIS A 43 4.379 7.488 6.189 1.00 0.00 H new ATOM 0 HA HIS A 43 4.079 7.318 3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.747 5.754 5.378 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.874 5.542 3.643 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.053 8.674 2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.320 8.870 5.399 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.187 9.984 3.410 1.00 0.00 H new ATOM 685 N LEU A 44 2.788 5.209 2.928 1.00 0.00 N ATOM 686 CA LEU A 44 1.979 4.014 2.661 1.00 0.00 C ATOM 687 C LEU A 44 2.814 2.733 2.753 1.00 0.00 C ATOM 688 O LEU A 44 2.286 1.620 2.731 1.00 0.00 O ATOM 689 CB LEU A 44 1.299 4.111 1.296 1.00 0.00 C ATOM 690 CG LEU A 44 0.316 5.272 1.130 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.431 5.155 -0.182 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.661 5.334 2.294 1.00 0.00 C ATOM 0 H LEU A 44 2.901 5.828 2.125 1.00 0.00 H new ATOM 0 HA LEU A 44 1.209 3.965 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.070 4.199 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.768 3.178 1.107 1.00 0.00 H new ATOM 0 HG LEU A 44 0.891 6.198 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.125 5.990 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.280 5.174 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.986 4.217 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.347 6.168 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.227 4.404 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.110 5.475 3.224 1.00 0.00 H new ATOM 704 N LYS A 45 4.122 2.894 2.849 1.00 0.00 N ATOM 705 CA LYS A 45 5.036 1.774 2.982 1.00 0.00 C ATOM 706 C LYS A 45 4.651 0.912 4.200 1.00 0.00 C ATOM 707 O LYS A 45 4.888 -0.293 4.226 1.00 0.00 O ATOM 708 CB LYS A 45 6.475 2.309 3.097 1.00 0.00 C ATOM 709 CG LYS A 45 7.576 1.258 2.978 1.00 0.00 C ATOM 710 CD LYS A 45 7.861 0.553 4.296 1.00 0.00 C ATOM 711 CE LYS A 45 8.297 1.531 5.380 1.00 0.00 C ATOM 712 NZ LYS A 45 8.604 0.844 6.654 1.00 0.00 N ATOM 0 H LYS A 45 4.580 3.805 2.837 1.00 0.00 H new ATOM 0 HA LYS A 45 4.973 1.136 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.628 3.060 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.581 2.815 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.288 0.519 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.489 1.734 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.968 0.022 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.640 -0.195 4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.177 2.079 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.508 2.265 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.009 1.526 7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.731 0.442 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.289 0.081 6.481 1.00 0.00 H new ATOM 726 N LYS A 46 4.030 1.541 5.197 1.00 0.00 N ATOM 727 CA LYS A 46 3.570 0.853 6.381 1.00 0.00 C ATOM 728 C LYS A 46 2.570 -0.244 6.009 1.00 0.00 C ATOM 729 O LYS A 46 2.720 -1.402 6.396 1.00 0.00 O ATOM 730 CB LYS A 46 2.929 1.873 7.335 1.00 0.00 C ATOM 731 CG LYS A 46 2.261 1.268 8.556 1.00 0.00 C ATOM 732 CD LYS A 46 0.789 0.969 8.315 1.00 0.00 C ATOM 733 CE LYS A 46 0.137 0.395 9.554 1.00 0.00 C ATOM 734 NZ LYS A 46 0.778 -0.880 9.983 1.00 0.00 N ATOM 0 H LYS A 46 3.836 2.542 5.197 1.00 0.00 H new ATOM 0 HA LYS A 46 4.416 0.377 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.697 2.572 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.189 2.452 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.777 0.348 8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.358 1.953 9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.273 1.883 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.689 0.265 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.197 1.121 10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.921 0.221 9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.193 -1.334 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.866 -1.516 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.722 -0.681 10.370 1.00 0.00 H new ATOM 748 N LEU A 47 1.534 0.140 5.271 1.00 0.00 N ATOM 749 CA LEU A 47 0.513 -0.802 4.841 1.00 0.00 C ATOM 750 C LEU A 47 1.124 -1.907 3.990 1.00 0.00 C ATOM 751 O LEU A 47 0.646 -3.038 3.997 1.00 0.00 O ATOM 752 CB LEU A 47 -0.628 -0.093 4.104 1.00 0.00 C ATOM 753 CG LEU A 47 -0.341 0.372 2.682 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.750 -0.679 1.668 1.00 0.00 C ATOM 755 CD2 LEU A 47 -1.038 1.679 2.412 1.00 0.00 C ATOM 0 H LEU A 47 1.381 1.099 4.959 1.00 0.00 H new ATOM 0 HA LEU A 47 0.084 -1.262 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.484 -0.767 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.925 0.775 4.692 1.00 0.00 H new ATOM 0 HG LEU A 47 0.734 0.524 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.533 -0.318 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.194 -1.598 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.818 -0.877 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.825 2.001 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.113 1.550 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.681 2.433 3.113 1.00 0.00 H new ATOM 767 N LYS A 48 2.189 -1.581 3.243 1.00 0.00 N ATOM 768 CA LYS A 48 2.901 -2.598 2.466 1.00 0.00 C ATOM 769 C LYS A 48 3.403 -3.691 3.389 1.00 0.00 C ATOM 770 O LYS A 48 3.173 -4.877 3.158 1.00 0.00 O ATOM 771 CB LYS A 48 4.088 -2.009 1.706 1.00 0.00 C ATOM 772 CG LYS A 48 3.781 -1.525 0.303 1.00 0.00 C ATOM 773 CD LYS A 48 2.967 -0.248 0.295 1.00 0.00 C ATOM 774 CE LYS A 48 2.944 0.365 -1.091 1.00 0.00 C ATOM 775 NZ LYS A 48 4.252 0.210 -1.786 1.00 0.00 N ATOM 0 H LYS A 48 2.569 -0.638 3.163 1.00 0.00 H new ATOM 0 HA LYS A 48 2.197 -3.004 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.489 -1.174 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.873 -2.763 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.715 -1.360 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.238 -2.302 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.949 -0.458 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.389 0.463 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.160 -0.106 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.695 1.424 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.342 0.939 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.025 0.315 -1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.303 -0.732 -2.223 1.00 0.00 H new ATOM 789 N GLU A 49 4.101 -3.287 4.444 1.00 0.00 N ATOM 790 CA GLU A 49 4.608 -4.223 5.434 1.00 0.00 C ATOM 791 C GLU A 49 3.480 -5.034 6.006 1.00 0.00 C ATOM 792 O GLU A 49 3.538 -6.248 6.038 1.00 0.00 O ATOM 793 CB GLU A 49 5.314 -3.484 6.551 1.00 0.00 C ATOM 794 CG GLU A 49 6.396 -2.566 6.059 1.00 0.00 C ATOM 795 CD GLU A 49 7.183 -1.943 7.182 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.802 -0.851 7.651 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.197 -2.524 7.595 1.00 0.00 O ATOM 0 H GLU A 49 4.328 -2.311 4.634 1.00 0.00 H new ATOM 0 HA GLU A 49 5.319 -4.888 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.583 -2.904 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.746 -4.208 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.073 -3.123 5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.950 -1.778 5.452 1.00 0.00 H new ATOM 804 N SER A 50 2.433 -4.353 6.432 1.00 0.00 N ATOM 805 CA SER A 50 1.267 -5.008 6.999 1.00 0.00 C ATOM 806 C SER A 50 0.684 -6.032 6.012 1.00 0.00 C ATOM 807 O SER A 50 0.171 -7.075 6.407 1.00 0.00 O ATOM 808 CB SER A 50 0.219 -3.961 7.368 1.00 0.00 C ATOM 809 OG SER A 50 0.799 -2.933 8.164 1.00 0.00 O ATOM 0 H SER A 50 2.365 -3.336 6.396 1.00 0.00 H new ATOM 0 HA SER A 50 1.567 -5.544 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.208 -3.530 6.462 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.599 -4.433 7.913 1.00 0.00 H new ATOM 0 HG SER A 50 1.305 -2.321 7.590 1.00 0.00 H new ATOM 815 N TYR A 51 0.796 -5.738 4.725 1.00 0.00 N ATOM 816 CA TYR A 51 0.300 -6.632 3.684 1.00 0.00 C ATOM 817 C TYR A 51 1.227 -7.849 3.566 1.00 0.00 C ATOM 818 O TYR A 51 0.778 -8.998 3.578 1.00 0.00 O ATOM 819 CB TYR A 51 0.217 -5.888 2.338 1.00 0.00 C ATOM 820 CG TYR A 51 -0.637 -6.570 1.275 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.382 -7.872 0.870 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.696 -5.901 0.681 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.155 -8.486 -0.097 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.477 -6.510 -0.291 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.200 -7.801 -0.673 1.00 0.00 C ATOM 826 OH TYR A 51 -2.968 -8.412 -1.635 1.00 0.00 O ATOM 0 H TYR A 51 1.228 -4.883 4.373 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.701 -6.972 3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.181 -4.889 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.227 -5.763 1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.436 -8.416 1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.917 -4.887 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.940 -9.500 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.297 -5.973 -0.744 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.665 -7.793 -1.939 1.00 0.00 H new ATOM 836 N CYS A 52 2.523 -7.593 3.469 1.00 0.00 N ATOM 837 CA CYS A 52 3.518 -8.657 3.358 1.00 0.00 C ATOM 838 C CYS A 52 3.542 -9.522 4.622 1.00 0.00 C ATOM 839 O CYS A 52 3.755 -10.721 4.563 1.00 0.00 O ATOM 840 CB CYS A 52 4.915 -8.066 3.084 1.00 0.00 C ATOM 841 SG CYS A 52 6.256 -9.281 3.038 1.00 0.00 S ATOM 0 H CYS A 52 2.915 -6.652 3.465 1.00 0.00 H new ATOM 0 HA CYS A 52 3.238 -9.292 2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.890 -7.537 2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.139 -7.327 3.853 1.00 0.00 H new ATOM 0 HG CYS A 52 6.133 -10.023 1.978 1.00 0.00 H new ATOM 847 N GLN A 53 3.316 -8.904 5.762 1.00 0.00 N ATOM 848 CA GLN A 53 3.312 -9.604 7.044 1.00 0.00 C ATOM 849 C GLN A 53 2.066 -10.469 7.213 1.00 0.00 C ATOM 850 O GLN A 53 2.124 -11.560 7.774 1.00 0.00 O ATOM 851 CB GLN A 53 3.402 -8.595 8.190 1.00 0.00 C ATOM 852 CG GLN A 53 4.731 -7.864 8.252 1.00 0.00 C ATOM 853 CD GLN A 53 5.835 -8.721 8.826 1.00 0.00 C ATOM 854 OE1 GLN A 53 6.530 -9.420 8.101 1.00 0.00 O ATOM 855 NE2 GLN A 53 5.994 -8.680 10.128 1.00 0.00 N ATOM 0 H GLN A 53 3.129 -7.904 5.834 1.00 0.00 H new ATOM 0 HA GLN A 53 4.181 -10.262 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.600 -7.865 8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.238 -9.114 9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.011 -7.539 7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.620 -6.965 8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.393 -8.083 10.697 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.719 -9.245 10.571 1.00 0.00 H new ATOM 864 N ARG A 54 0.942 -9.987 6.716 1.00 0.00 N ATOM 865 CA ARG A 54 -0.333 -10.669 6.898 1.00 0.00 C ATOM 866 C ARG A 54 -0.597 -11.704 5.804 1.00 0.00 C ATOM 867 O ARG A 54 -1.082 -12.799 6.077 1.00 0.00 O ATOM 868 CB ARG A 54 -1.445 -9.637 6.936 1.00 0.00 C ATOM 869 CG ARG A 54 -2.798 -10.170 7.359 1.00 0.00 C ATOM 870 CD ARG A 54 -3.686 -9.033 7.822 1.00 0.00 C ATOM 871 NE ARG A 54 -5.030 -9.478 8.176 1.00 0.00 N ATOM 872 CZ ARG A 54 -5.678 -9.121 9.291 1.00 0.00 C ATOM 873 NH1 ARG A 54 -5.058 -8.409 10.235 1.00 0.00 N ATOM 874 NH2 ARG A 54 -6.936 -9.503 9.473 1.00 0.00 N ATOM 0 H ARG A 54 0.883 -9.121 6.180 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.298 -11.214 7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.156 -8.838 7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.540 -9.191 5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.268 -10.692 6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.676 -10.896 8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.229 -8.548 8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.752 -8.284 7.033 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.509 -10.104 7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.084 -8.134 10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.558 -8.140 11.082 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.405 -10.067 8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.433 -9.233 10.322 1.00 0.00 H new ATOM 888 N GLN A 55 -0.285 -11.361 4.565 1.00 0.00 N ATOM 889 CA GLN A 55 -0.516 -12.272 3.449 1.00 0.00 C ATOM 890 C GLN A 55 0.736 -13.074 3.113 1.00 0.00 C ATOM 891 O GLN A 55 0.677 -14.062 2.386 1.00 0.00 O ATOM 892 CB GLN A 55 -1.013 -11.511 2.211 1.00 0.00 C ATOM 893 CG GLN A 55 -2.505 -11.159 2.246 1.00 0.00 C ATOM 894 CD GLN A 55 -2.868 -10.105 3.283 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.978 -9.164 3.518 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.950 -10.131 3.850 1.00 0.00 N flip ATOM 0 H GLN A 55 0.126 -10.465 4.304 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.291 -12.973 3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.437 -10.592 2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.814 -12.113 1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.807 -10.804 1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.077 -12.065 2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.616 -10.875 3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.187 -9.408 4.530 1.00 0.00 H new ATOM 905 N GLY A 56 1.871 -12.643 3.645 1.00 0.00 N ATOM 906 CA GLY A 56 3.128 -13.351 3.421 1.00 0.00 C ATOM 907 C GLY A 56 3.598 -13.316 1.972 1.00 0.00 C ATOM 908 O GLY A 56 4.289 -14.228 1.512 1.00 0.00 O ATOM 0 H GLY A 56 1.950 -11.812 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.899 -12.914 4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.011 -14.389 3.731 1.00 0.00 H new ATOM 912 N VAL A 57 3.246 -12.268 1.249 1.00 0.00 N ATOM 913 CA VAL A 57 3.636 -12.142 -0.153 1.00 0.00 C ATOM 914 C VAL A 57 4.582 -10.956 -0.361 1.00 0.00 C ATOM 915 O VAL A 57 4.505 -9.962 0.366 1.00 0.00 O ATOM 916 CB VAL A 57 2.400 -12.008 -1.087 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.621 -13.313 -1.127 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.501 -10.868 -0.636 1.00 0.00 C ATOM 0 H VAL A 57 2.691 -11.490 1.605 1.00 0.00 H new ATOM 0 HA VAL A 57 4.162 -13.059 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 57 2.756 -11.783 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.759 -13.202 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.264 -14.109 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.281 -13.564 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.644 -10.794 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.154 -11.058 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.060 -9.933 -0.659 1.00 0.00 H new ATOM 928 N PRO A 58 5.493 -11.054 -1.354 1.00 0.00 N ATOM 929 CA PRO A 58 6.485 -10.007 -1.642 1.00 0.00 C ATOM 930 C PRO A 58 5.846 -8.698 -2.106 1.00 0.00 C ATOM 931 O PRO A 58 5.250 -8.625 -3.170 1.00 0.00 O ATOM 932 CB PRO A 58 7.332 -10.614 -2.767 1.00 0.00 C ATOM 933 CG PRO A 58 6.460 -11.645 -3.388 1.00 0.00 C ATOM 934 CD PRO A 58 5.625 -12.197 -2.276 1.00 0.00 C ATOM 0 HA PRO A 58 7.056 -9.741 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.626 -9.856 -3.493 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.249 -11.055 -2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.835 -11.210 -4.168 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.055 -12.429 -3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.654 -12.540 -2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.107 -13.049 -1.795 1.00 0.00 H new ATOM 942 N MET A 59 5.979 -7.669 -1.295 1.00 0.00 N ATOM 943 CA MET A 59 5.407 -6.358 -1.592 1.00 0.00 C ATOM 944 C MET A 59 6.247 -5.548 -2.567 1.00 0.00 C ATOM 945 O MET A 59 5.832 -4.487 -3.021 1.00 0.00 O ATOM 946 CB MET A 59 5.161 -5.574 -0.307 1.00 0.00 C ATOM 947 CG MET A 59 3.901 -5.988 0.426 1.00 0.00 C ATOM 948 SD MET A 59 2.399 -5.693 -0.524 1.00 0.00 S ATOM 949 CE MET A 59 2.141 -7.297 -1.283 1.00 0.00 C ATOM 0 H MET A 59 6.485 -7.711 -0.410 1.00 0.00 H new ATOM 0 HA MET A 59 4.452 -6.540 -2.086 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.016 -5.703 0.357 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.100 -4.512 -0.545 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.964 -7.047 0.674 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.841 -5.443 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.461 -7.194 -2.129 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.095 -7.693 -1.630 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.709 -7.980 -0.552 1.00 0.00 H new ATOM 959 N ASN A 60 7.433 -6.024 -2.876 1.00 0.00 N ATOM 960 CA ASN A 60 8.304 -5.309 -3.800 1.00 0.00 C ATOM 961 C ASN A 60 8.042 -5.717 -5.242 1.00 0.00 C ATOM 962 O ASN A 60 8.098 -4.884 -6.151 1.00 0.00 O ATOM 963 CB ASN A 60 9.767 -5.522 -3.447 1.00 0.00 C ATOM 964 CG ASN A 60 10.138 -4.847 -2.143 1.00 0.00 C ATOM 965 OD1 ASN A 60 10.637 -3.721 -2.128 1.00 0.00 O ATOM 966 ND2 ASN A 60 9.876 -5.516 -1.040 1.00 0.00 N ATOM 0 H ASN A 60 7.819 -6.894 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 60 8.077 -4.247 -3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.971 -6.590 -3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.394 -5.132 -4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.087 -5.104 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.462 -6.447 -1.094 1.00 0.00 H new ATOM 973 N SER A 61 7.784 -7.013 -5.459 1.00 0.00 N ATOM 974 CA SER A 61 7.475 -7.547 -6.797 1.00 0.00 C ATOM 975 C SER A 61 6.353 -6.751 -7.486 1.00 0.00 C ATOM 976 O SER A 61 6.346 -6.572 -8.711 1.00 0.00 O ATOM 977 CB SER A 61 7.077 -9.014 -6.679 1.00 0.00 C ATOM 978 OG SER A 61 8.054 -9.748 -5.959 1.00 0.00 O ATOM 0 H SER A 61 7.783 -7.717 -4.721 1.00 0.00 H new ATOM 0 HA SER A 61 8.369 -7.453 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.113 -9.094 -6.176 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.954 -9.443 -7.674 1.00 0.00 H new ATOM 0 HG SER A 61 7.777 -10.686 -5.894 1.00 0.00 H new ATOM 984 N LEU A 62 5.412 -6.274 -6.706 1.00 0.00 N ATOM 985 CA LEU A 62 4.314 -5.502 -7.230 1.00 0.00 C ATOM 986 C LEU A 62 4.337 -4.081 -6.682 1.00 0.00 C ATOM 987 O LEU A 62 5.055 -3.782 -5.730 1.00 0.00 O ATOM 988 CB LEU A 62 2.940 -6.190 -6.970 1.00 0.00 C ATOM 989 CG LEU A 62 2.701 -6.900 -5.611 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.393 -8.249 -5.562 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.121 -6.029 -4.435 1.00 0.00 C ATOM 0 H LEU A 62 5.387 -6.410 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 62 4.441 -5.448 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.165 -5.432 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.786 -6.927 -7.758 1.00 0.00 H new ATOM 0 HG LEU A 62 1.628 -7.070 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.205 -8.719 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.006 -8.886 -6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.466 -8.113 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.937 -6.563 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.183 -5.795 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.544 -5.104 -4.443 1.00 0.00 H new ATOM 1003 N ARG A 63 3.568 -3.199 -7.279 1.00 0.00 N ATOM 1004 CA ARG A 63 3.506 -1.828 -6.814 1.00 0.00 C ATOM 1005 C ARG A 63 2.083 -1.431 -6.512 1.00 0.00 C ATOM 1006 O ARG A 63 1.142 -2.129 -6.879 1.00 0.00 O ATOM 1007 CB ARG A 63 4.140 -0.840 -7.807 1.00 0.00 C ATOM 1008 CG ARG A 63 3.453 -0.741 -9.163 1.00 0.00 C ATOM 1009 CD ARG A 63 3.924 -1.817 -10.116 1.00 0.00 C ATOM 1010 NE ARG A 63 3.675 -1.441 -11.508 1.00 0.00 N ATOM 1011 CZ ARG A 63 4.602 -0.921 -12.327 1.00 0.00 C ATOM 1012 NH1 ARG A 63 5.851 -0.727 -11.891 1.00 0.00 N ATOM 1013 NH2 ARG A 63 4.283 -0.602 -13.572 1.00 0.00 N ATOM 0 H ARG A 63 2.978 -3.403 -8.085 1.00 0.00 H new ATOM 0 HA ARG A 63 4.091 -1.780 -5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.150 0.150 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.179 -1.128 -7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.374 -0.822 -9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.648 0.239 -9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.990 -1.994 -9.970 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.412 -2.753 -9.893 1.00 0.00 H new ATOM 0 HE ARG A 63 2.736 -1.583 -11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.101 -0.974 -10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.554 -0.332 -12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.332 -0.751 -13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.988 -0.207 -14.194 1.00 0.00 H new ATOM 1027 N PHE A 64 1.915 -0.296 -5.872 1.00 0.00 N ATOM 1028 CA PHE A 64 0.609 0.153 -5.456 1.00 0.00 C ATOM 1029 C PHE A 64 0.209 1.394 -6.223 1.00 0.00 C ATOM 1030 O PHE A 64 0.863 2.442 -6.132 1.00 0.00 O ATOM 1031 CB PHE A 64 0.590 0.425 -3.946 1.00 0.00 C ATOM 1032 CG PHE A 64 0.578 -0.821 -3.094 1.00 0.00 C ATOM 1033 CD1 PHE A 64 1.556 -1.796 -3.237 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.406 -1.007 -2.140 1.00 0.00 C ATOM 1035 CE1 PHE A 64 1.548 -2.926 -2.449 1.00 0.00 C ATOM 1036 CE2 PHE A 64 -0.419 -2.136 -1.349 1.00 0.00 C ATOM 1037 CZ PHE A 64 0.559 -3.096 -1.503 1.00 0.00 C ATOM 0 H PHE A 64 2.676 0.337 -5.627 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.113 -0.635 -5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.464 1.022 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.289 1.024 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.333 -1.667 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.174 -0.258 -2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.314 -3.677 -2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.195 -2.269 -0.609 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.550 -3.980 -0.883 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.837 1.270 -7.000 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.348 2.373 -7.773 1.00 0.00 C ATOM 1049 C LEU A 65 -2.757 2.685 -7.344 1.00 0.00 C ATOM 1050 O LEU A 65 -3.602 1.803 -7.209 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.312 2.064 -9.270 1.00 0.00 C ATOM 1052 CG LEU A 65 0.037 1.585 -9.833 1.00 0.00 C ATOM 1053 CD1 LEU A 65 -0.047 1.391 -11.336 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.148 2.564 -9.491 1.00 0.00 C ATOM 0 H LEU A 65 -1.359 0.401 -7.114 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.712 3.240 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.061 1.301 -9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.610 2.961 -9.812 1.00 0.00 H new ATOM 0 HG LEU A 65 0.270 0.626 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.918 1.052 -11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.808 0.645 -11.565 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.311 2.336 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.091 2.202 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.918 3.540 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.233 2.654 -8.408 1.00 0.00 H new ATOM 1066 N PHE A 66 -3.013 3.927 -7.114 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.319 4.362 -6.700 1.00 0.00 C ATOM 1068 C PHE A 66 -5.007 5.077 -7.836 1.00 0.00 C ATOM 1069 O PHE A 66 -4.720 6.228 -8.105 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.224 5.258 -5.458 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.471 6.042 -5.175 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.712 5.438 -5.230 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.399 7.390 -4.869 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.853 6.154 -4.986 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.540 8.117 -4.621 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.770 7.500 -4.679 1.00 0.00 C ATOM 0 H PHE A 66 -2.328 4.677 -7.205 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.914 3.489 -6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.993 4.638 -4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.392 5.951 -5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.783 4.387 -5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.436 7.877 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.817 5.669 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.472 9.168 -4.382 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.669 8.067 -4.485 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.907 4.368 -8.516 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.657 4.898 -9.670 1.00 0.00 C ATOM 1088 C GLU A 67 -5.748 5.682 -10.646 1.00 0.00 C ATOM 1089 O GLU A 67 -6.159 6.676 -11.256 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.857 5.751 -9.207 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.494 7.033 -8.490 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.699 7.897 -8.221 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -9.552 7.498 -7.389 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.807 8.976 -8.843 1.00 0.00 O ATOM 0 H GLU A 67 -6.143 3.403 -8.286 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.046 4.042 -10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.464 5.999 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.479 5.147 -8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.004 6.793 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.775 7.592 -9.090 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.524 5.202 -10.814 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.568 5.853 -11.695 1.00 0.00 C ATOM 1103 C GLY A 68 -2.468 6.598 -10.945 1.00 0.00 C ATOM 1104 O GLY A 68 -1.527 7.114 -11.553 1.00 0.00 O ATOM 0 H GLY A 68 -4.171 4.364 -10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.113 5.104 -12.343 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.098 6.554 -12.340 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.569 6.644 -9.626 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.579 7.311 -8.797 1.00 0.00 C ATOM 1110 C GLN A 69 -0.405 6.385 -8.559 1.00 0.00 C ATOM 1111 O GLN A 69 -0.577 5.178 -8.419 1.00 0.00 O ATOM 1112 CB GLN A 69 -2.198 7.732 -7.461 1.00 0.00 C ATOM 1113 CG GLN A 69 -3.084 8.964 -7.535 1.00 0.00 C ATOM 1114 CD GLN A 69 -2.294 10.252 -7.551 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -2.024 10.839 -6.505 1.00 0.00 O ATOM 1116 NE2 GLN A 69 -1.899 10.686 -8.719 1.00 0.00 N ATOM 0 H GLN A 69 -3.336 6.222 -9.102 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.230 8.206 -9.313 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.785 6.901 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.396 7.920 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.700 8.910 -8.432 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.763 8.970 -6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.144 10.170 -9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.346 11.541 -8.785 1.00 0.00 H new ATOM 1125 N ARG A 70 0.778 6.943 -8.500 1.00 0.00 N ATOM 1126 CA ARG A 70 1.985 6.168 -8.326 1.00 0.00 C ATOM 1127 C ARG A 70 2.437 6.207 -6.870 1.00 0.00 C ATOM 1128 O ARG A 70 2.826 7.254 -6.357 1.00 0.00 O ATOM 1129 CB ARG A 70 3.078 6.714 -9.247 1.00 0.00 C ATOM 1130 CG ARG A 70 4.432 6.031 -9.102 1.00 0.00 C ATOM 1131 CD ARG A 70 4.361 4.542 -9.421 1.00 0.00 C ATOM 1132 NE ARG A 70 3.881 4.283 -10.784 1.00 0.00 N ATOM 1133 CZ ARG A 70 4.472 3.450 -11.648 1.00 0.00 C ATOM 1134 NH1 ARG A 70 5.586 2.798 -11.308 1.00 0.00 N ATOM 1135 NH2 ARG A 70 3.947 3.264 -12.853 1.00 0.00 N ATOM 0 H ARG A 70 0.934 7.949 -8.571 1.00 0.00 H new ATOM 0 HA ARG A 70 1.787 5.129 -8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.746 6.616 -10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.201 7.779 -9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.152 6.510 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.798 6.166 -8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.349 4.099 -9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.700 4.051 -8.707 1.00 0.00 H new ATOM 0 HE ARG A 70 3.040 4.771 -11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.994 2.933 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.030 2.165 -11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.094 3.756 -13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.397 2.629 -13.513 1.00 0.00 H new ATOM 1149 N ILE A 71 2.364 5.075 -6.190 1.00 0.00 N ATOM 1150 CA ILE A 71 2.773 5.008 -4.802 1.00 0.00 C ATOM 1151 C ILE A 71 3.991 4.100 -4.632 1.00 0.00 C ATOM 1152 O ILE A 71 3.861 2.871 -4.500 1.00 0.00 O ATOM 1153 CB ILE A 71 1.633 4.506 -3.861 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.421 5.460 -3.870 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.151 4.333 -2.437 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.468 5.345 -5.095 1.00 0.00 C ATOM 0 H ILE A 71 2.026 4.194 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 71 3.026 6.029 -4.515 1.00 0.00 H new ATOM 0 HB ILE A 71 1.301 3.540 -4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.181 5.269 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.783 6.486 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.342 3.983 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.961 3.604 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.520 5.289 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.293 6.053 -5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.114 5.567 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.865 4.332 -5.163 1.00 0.00 H new ATOM 1168 N ALA A 72 5.177 4.681 -4.647 1.00 0.00 N ATOM 1169 CA ALA A 72 6.375 3.909 -4.429 1.00 0.00 C ATOM 1170 C ALA A 72 6.859 4.078 -2.996 1.00 0.00 C ATOM 1171 O ALA A 72 7.800 4.814 -2.720 1.00 0.00 O ATOM 1172 CB ALA A 72 7.463 4.291 -5.421 1.00 0.00 C ATOM 0 H ALA A 72 5.331 5.677 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 72 6.138 2.857 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.354 3.692 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.111 4.107 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.705 5.348 -5.307 1.00 0.00 H new ATOM 1178 N ASP A 73 6.161 3.401 -2.086 1.00 0.00 N ATOM 1179 CA ASP A 73 6.492 3.343 -0.647 1.00 0.00 C ATOM 1180 C ASP A 73 6.819 4.700 -0.003 1.00 0.00 C ATOM 1181 O ASP A 73 7.521 4.754 1.002 1.00 0.00 O ATOM 1182 CB ASP A 73 7.632 2.348 -0.403 1.00 0.00 C ATOM 1183 CG ASP A 73 7.219 0.937 -0.725 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.230 0.468 -0.136 1.00 0.00 O ATOM 1185 OD2 ASP A 73 7.863 0.295 -1.574 1.00 0.00 O ATOM 0 H ASP A 73 5.329 2.862 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 73 5.581 3.004 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.492 2.623 -1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.949 2.406 0.638 1.00 0.00 H new ATOM 1190 N ASN A 74 6.276 5.795 -0.529 1.00 0.00 N ATOM 1191 CA ASN A 74 6.571 7.103 0.050 1.00 0.00 C ATOM 1192 C ASN A 74 5.392 8.055 -0.062 1.00 0.00 C ATOM 1193 O ASN A 74 5.307 9.032 0.678 1.00 0.00 O ATOM 1194 CB ASN A 74 7.846 7.726 -0.551 1.00 0.00 C ATOM 1195 CG ASN A 74 7.650 8.337 -1.926 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.362 9.529 -2.054 1.00 0.00 O ATOM 1197 ND2 ASN A 74 7.816 7.540 -2.954 1.00 0.00 N ATOM 0 H ASN A 74 5.647 5.806 -1.332 1.00 0.00 H new ATOM 0 HA ASN A 74 6.757 6.936 1.111 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.216 8.495 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.618 6.959 -0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.707 7.901 -3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.054 6.559 -2.806 1.00 0.00 H new ATOM 1204 N HIS A 75 4.472 7.777 -0.984 1.00 0.00 N ATOM 1205 CA HIS A 75 3.289 8.601 -1.131 1.00 0.00 C ATOM 1206 C HIS A 75 2.435 8.523 0.122 1.00 0.00 C ATOM 1207 O HIS A 75 2.427 7.510 0.829 1.00 0.00 O ATOM 1208 CB HIS A 75 2.464 8.180 -2.350 1.00 0.00 C ATOM 1209 CG HIS A 75 2.159 9.315 -3.283 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.443 9.287 -4.629 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.595 10.519 -3.050 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.070 10.424 -5.179 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.552 11.193 -4.244 1.00 0.00 N ATOM 0 H HIS A 75 4.528 6.992 -1.633 1.00 0.00 H new ATOM 0 HA HIS A 75 3.617 9.630 -1.281 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.004 7.406 -2.895 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.528 7.737 -2.011 1.00 0.00 H new ATOM 0 HD1 HIS A 75 2.875 8.507 -5.124 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.242 10.885 -2.097 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.172 10.683 -6.223 1.00 0.00 H new ATOM 1222 N THR A 76 1.730 9.589 0.401 1.00 0.00 N ATOM 1223 CA THR A 76 0.886 9.668 1.572 1.00 0.00 C ATOM 1224 C THR A 76 -0.587 9.762 1.170 1.00 0.00 C ATOM 1225 O THR A 76 -0.907 10.262 0.087 1.00 0.00 O ATOM 1226 CB THR A 76 1.257 10.894 2.420 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.256 12.059 1.598 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.626 10.727 3.040 1.00 0.00 C ATOM 0 H THR A 76 1.723 10.430 -0.176 1.00 0.00 H new ATOM 0 HA THR A 76 1.041 8.762 2.158 1.00 0.00 H new ATOM 0 HB THR A 76 0.521 10.995 3.218 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.179 12.348 1.439 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.866 11.608 3.635 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.631 9.844 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.370 10.608 2.252 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.504 9.300 2.045 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.952 9.326 1.772 1.00 0.00 C ATOM 1238 C PRO A 77 -3.472 10.746 1.589 1.00 0.00 C ATOM 1239 O PRO A 77 -4.411 10.994 0.831 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.569 8.692 3.036 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.517 8.822 4.084 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.206 8.720 3.366 1.00 0.00 C ATOM 0 HA PRO A 77 -3.203 8.801 0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.484 9.206 3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.831 7.648 2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.603 9.774 4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.614 8.037 4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.420 9.272 3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.869 7.686 3.286 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.822 11.679 2.255 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.216 13.074 2.228 1.00 0.00 C ATOM 1252 C LYS A 78 -2.806 13.716 0.912 1.00 0.00 C ATOM 1253 O LYS A 78 -3.462 14.626 0.407 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.567 13.812 3.413 1.00 0.00 C ATOM 1255 CG LYS A 78 -1.034 13.762 3.420 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.434 14.987 2.758 1.00 0.00 C ATOM 1257 CE LYS A 78 1.082 14.930 2.732 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.671 16.082 2.003 1.00 0.00 N ATOM 0 H LYS A 78 -2.003 11.491 2.832 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.300 13.142 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.885 14.854 3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.938 13.380 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.676 13.690 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.696 12.865 2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.812 15.071 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.755 15.882 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.462 14.915 3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.402 14.001 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.674 16.179 2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.589 15.923 0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.163 16.952 2.260 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.727 13.217 0.348 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.176 13.758 -0.868 1.00 0.00 C ATOM 1274 C GLU A 79 -1.874 13.168 -2.083 1.00 0.00 C ATOM 1275 O GLU A 79 -1.947 13.786 -3.139 1.00 0.00 O ATOM 1276 CB GLU A 79 0.306 13.450 -0.917 1.00 0.00 C ATOM 1277 CG GLU A 79 1.049 14.182 -1.997 1.00 0.00 C ATOM 1278 CD GLU A 79 1.037 15.675 -1.769 1.00 0.00 C ATOM 1279 OE1 GLU A 79 1.701 16.137 -0.815 1.00 0.00 O ATOM 1280 OE2 GLU A 79 0.366 16.394 -2.535 1.00 0.00 O ATOM 0 H GLU A 79 -1.209 12.423 0.724 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.329 14.837 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.750 13.699 0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.439 12.378 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.079 13.828 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.599 13.958 -2.964 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.382 11.963 -1.929 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.079 11.282 -3.008 1.00 0.00 C ATOM 1289 C LEU A 80 -4.494 11.800 -3.141 1.00 0.00 C ATOM 1290 O LEU A 80 -5.177 11.532 -4.128 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.109 9.789 -2.728 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.755 9.104 -2.707 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.846 7.790 -1.972 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.258 8.882 -4.117 1.00 0.00 C ATOM 0 H LEU A 80 -2.326 11.429 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.549 11.473 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.595 9.627 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.730 9.307 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.047 9.748 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.868 7.309 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.171 7.968 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.565 7.142 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.286 8.390 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.966 8.254 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.163 9.842 -4.625 1.00 0.00 H new ATOM 1306 N GLY A 81 -4.945 12.546 -2.142 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.286 13.073 -2.182 1.00 0.00 C ATOM 1308 C GLY A 81 -7.317 12.019 -1.847 1.00 0.00 C ATOM 1309 O GLY A 81 -8.509 12.188 -2.120 1.00 0.00 O ATOM 0 H GLY A 81 -4.407 12.792 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.372 13.901 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.488 13.476 -3.174 1.00 0.00 H new ATOM 1313 N MET A 82 -6.880 10.926 -1.240 1.00 0.00 N ATOM 1314 CA MET A 82 -7.778 9.827 -0.958 1.00 0.00 C ATOM 1315 C MET A 82 -8.266 9.912 0.474 1.00 0.00 C ATOM 1316 O MET A 82 -7.722 10.672 1.283 1.00 0.00 O ATOM 1317 CB MET A 82 -7.119 8.473 -1.247 1.00 0.00 C ATOM 1318 CG MET A 82 -6.027 8.060 -0.278 1.00 0.00 C ATOM 1319 SD MET A 82 -5.223 6.528 -0.791 1.00 0.00 S ATOM 1320 CE MET A 82 -4.302 6.102 0.675 1.00 0.00 C ATOM 0 H MET A 82 -5.917 10.781 -0.937 1.00 0.00 H new ATOM 0 HA MET A 82 -8.639 9.907 -1.622 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.892 7.704 -1.246 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.698 8.500 -2.252 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.284 8.855 -0.207 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.453 7.932 0.717 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.174 5.021 0.723 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.324 6.582 0.643 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.844 6.442 1.557 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.284 9.149 0.799 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.888 9.212 2.117 1.00 0.00 C ATOM 1332 C GLU A 83 -10.145 7.832 2.673 1.00 0.00 C ATOM 1333 O GLU A 83 -9.621 6.843 2.183 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.189 10.008 2.045 1.00 0.00 C ATOM 1335 CG GLU A 83 -10.971 11.480 1.805 1.00 0.00 C ATOM 1336 CD GLU A 83 -12.235 12.204 1.435 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -12.703 12.036 0.295 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -12.757 12.960 2.273 1.00 0.00 O ATOM 0 H GLU A 83 -9.715 8.473 0.168 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.193 9.712 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.811 9.604 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.740 9.876 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.549 11.931 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.238 11.609 1.009 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.931 7.769 3.727 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.280 6.508 4.344 1.00 0.00 C ATOM 1347 C GLU A 84 -12.140 5.660 3.407 1.00 0.00 C ATOM 1348 O GLU A 84 -12.851 6.187 2.548 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.011 6.741 5.661 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.234 7.627 5.542 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.062 7.626 6.799 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -13.544 8.031 7.856 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -15.235 7.209 6.738 1.00 0.00 O ATOM 0 H GLU A 84 -11.344 8.586 4.178 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.356 5.966 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.312 5.778 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.319 7.189 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.921 8.646 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.846 7.288 4.706 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.073 4.346 3.591 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.796 3.373 2.780 1.00 0.00 C ATOM 1362 C GLU A 85 -12.338 3.434 1.321 1.00 0.00 C ATOM 1363 O GLU A 85 -13.051 3.006 0.408 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.312 3.597 2.886 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.145 2.361 2.586 1.00 0.00 C ATOM 1366 CD GLU A 85 -14.944 1.267 3.612 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -15.595 1.322 4.676 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -14.144 0.349 3.367 1.00 0.00 O ATOM 0 H GLU A 85 -11.504 3.919 4.322 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.572 2.377 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.547 3.945 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.600 4.392 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.199 2.636 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.884 1.981 1.598 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.133 3.945 1.092 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.618 4.061 -0.255 1.00 0.00 C ATOM 1377 C ASP A 86 -10.021 2.753 -0.716 1.00 0.00 C ATOM 1378 O ASP A 86 -9.729 1.867 0.093 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.585 5.163 -0.348 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.922 6.148 -1.455 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -10.030 5.717 -2.630 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.107 7.354 -1.155 1.00 0.00 O ATOM 0 H ASP A 86 -10.503 4.282 1.820 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.453 4.314 -0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.526 5.690 0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.603 4.728 -0.533 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.831 2.621 -2.011 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.302 1.400 -2.571 1.00 0.00 C ATOM 1389 C VAL A 87 -8.022 1.647 -3.373 1.00 0.00 C ATOM 1390 O VAL A 87 -7.939 2.558 -4.199 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.356 0.671 -3.449 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.868 1.575 -4.560 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.787 -0.623 -4.022 1.00 0.00 C ATOM 0 H VAL A 87 -10.036 3.348 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.052 0.754 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.201 0.417 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.604 1.037 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.332 2.460 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.036 1.877 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.544 -1.114 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.916 -0.397 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.494 -1.284 -3.206 1.00 0.00 H new ATOM 1403 N ILE A 88 -7.022 0.830 -3.111 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.762 0.901 -3.824 1.00 0.00 C ATOM 1405 C ILE A 88 -5.603 -0.349 -4.672 1.00 0.00 C ATOM 1406 O ILE A 88 -6.003 -1.444 -4.260 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.553 1.025 -2.869 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.778 2.144 -1.835 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.274 1.273 -3.660 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.847 3.528 -2.430 1.00 0.00 C ATOM 0 H ILE A 88 -7.059 0.100 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.782 1.795 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.449 0.084 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.705 1.945 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.971 2.115 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.432 1.358 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.102 0.442 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.372 2.197 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.007 4.258 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.912 3.750 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.672 3.578 -3.140 1.00 0.00 H new ATOM 1422 N GLU A 89 -5.035 -0.201 -5.848 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.882 -1.314 -6.754 1.00 0.00 C ATOM 1424 C GLU A 89 -3.413 -1.694 -6.889 1.00 0.00 C ATOM 1425 O GLU A 89 -2.562 -0.856 -7.175 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.481 -0.955 -8.110 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.802 -0.210 -7.988 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.606 -0.212 -9.262 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -8.415 -1.140 -9.452 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -7.453 0.718 -10.074 1.00 0.00 O ATOM 0 H GLU A 89 -4.670 0.684 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.413 -2.178 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.772 -0.341 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.634 -1.866 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.394 -0.662 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.604 0.820 -7.693 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.112 -2.950 -6.665 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.742 -3.422 -6.723 1.00 0.00 C ATOM 1439 C VAL A 90 -1.471 -4.159 -8.028 1.00 0.00 C ATOM 1440 O VAL A 90 -2.165 -5.116 -8.376 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.419 -4.340 -5.528 1.00 0.00 C ATOM 1442 CG1 VAL A 90 0.007 -4.832 -5.591 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.670 -3.611 -4.227 1.00 0.00 C ATOM 0 H VAL A 90 -3.798 -3.670 -6.439 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.095 -2.546 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.076 -5.208 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.207 -5.477 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.158 -5.394 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.687 -3.980 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.438 -4.270 -3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.036 -2.726 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.717 -3.311 -4.174 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.452 -3.710 -8.748 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.096 -4.298 -10.030 1.00 0.00 C ATOM 1455 C TYR A 91 1.262 -4.968 -9.959 1.00 0.00 C ATOM 1456 O TYR A 91 2.217 -4.402 -9.421 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.068 -3.225 -11.115 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.393 -2.540 -11.351 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -1.812 -1.498 -10.539 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.216 -2.924 -12.398 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.009 -0.858 -10.761 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.421 -2.288 -12.624 1.00 0.00 C ATOM 1463 CZ TYR A 91 -3.810 -1.255 -11.801 1.00 0.00 C ATOM 1464 OH TYR A 91 -4.998 -0.607 -12.026 1.00 0.00 O ATOM 0 H TYR A 91 0.146 -2.935 -8.462 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.849 -5.047 -10.274 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.673 -2.472 -10.845 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.264 -3.679 -12.049 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.187 -1.183 -9.717 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.911 -3.732 -13.046 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.317 -0.046 -10.119 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.054 -2.599 -13.442 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.447 -1.007 -12.800 1.00 0.00 H new ATOM 1474 N GLN A 92 1.354 -6.165 -10.506 1.00 0.00 N ATOM 1475 CA GLN A 92 2.603 -6.920 -10.518 1.00 0.00 C ATOM 1476 C GLN A 92 3.508 -6.433 -11.627 1.00 0.00 C ATOM 1477 O GLN A 92 3.141 -6.464 -12.807 1.00 0.00 O ATOM 1478 CB GLN A 92 2.327 -8.425 -10.678 1.00 0.00 C ATOM 1479 CG GLN A 92 3.574 -9.283 -10.903 1.00 0.00 C ATOM 1480 CD GLN A 92 4.575 -9.202 -9.766 1.00 0.00 C ATOM 1481 OE1 GLN A 92 4.210 -9.010 -8.614 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.847 -9.352 -10.093 1.00 0.00 N ATOM 0 H GLN A 92 0.572 -6.644 -10.954 1.00 0.00 H new ATOM 0 HA GLN A 92 3.105 -6.760 -9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.812 -8.783 -9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.647 -8.569 -11.518 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.272 -10.322 -11.038 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.059 -8.970 -11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.108 -9.510 -11.066 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.567 -9.309 -9.372 1.00 0.00 H new ATOM 1491 N GLU A 93 4.689 -5.976 -11.251 1.00 0.00 N ATOM 1492 CA GLU A 93 5.664 -5.494 -12.204 1.00 0.00 C ATOM 1493 C GLU A 93 6.969 -5.220 -11.508 1.00 0.00 C ATOM 1494 O GLU A 93 7.084 -4.291 -10.701 1.00 0.00 O ATOM 1495 CB GLU A 93 5.170 -4.237 -12.910 1.00 0.00 C ATOM 1496 CG GLU A 93 6.153 -3.659 -13.917 1.00 0.00 C ATOM 1497 CD GLU A 93 6.273 -4.501 -15.168 1.00 0.00 C ATOM 1498 OE1 GLU A 93 7.040 -5.481 -15.161 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.605 -4.176 -16.168 1.00 0.00 O ATOM 0 H GLU A 93 4.995 -5.930 -10.279 1.00 0.00 H new ATOM 0 HA GLU A 93 5.814 -6.266 -12.959 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.235 -4.465 -13.422 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.946 -3.478 -12.161 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.836 -2.653 -14.191 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.134 -3.568 -13.450 1.00 0.00 H new