USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 TYR OH : rot -52:sc= 0.274 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= 0.278 F(o=-0.23,f=0.55) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 2.35 (180deg=2.24) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 1.09 (180deg=-0.137) USER MOD Single : A 29 GLN : amide:sc= -4.51! C(o=-4.5!,f=-11!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-7.5!) USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0702) USER MOD Single : A 40 MET CE :methyl -146:sc= -1.8! (180deg=-3.82!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 1.16 (180deg=0.374) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= -0.015 (180deg=-0.122) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= -0.324 (180deg=-2.73!) USER MOD Single : A 50 SER OG : rot 76:sc= 1.17 USER MOD Single : A 52 CYS SG : rot 50:sc= 0.0935 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 55 GLN : amide:sc= -0.0339 K(o=-0.034,f=-0.79) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.17) USER MOD Single : A 61 SER OG : rot -39:sc= 0.0519 USER MOD Single : A 69 GLN : amide:sc= -1.94 X(o=-1.9,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= 0.352 K(o=0.35,f=-5.1!) USER MOD Single : A 75 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-6.8!) USER MOD Single : A 76 THR OG1 : rot -143:sc= -3.22! USER MOD Single : A 78 LYS NZ :NH3+ -123:sc= 0.924 (180deg=-0.0965) USER MOD Single : A 82 MET CE :methyl 180:sc= -3.92! (180deg=-3.92!) USER MOD Single : A 91 TYR OH : rot 60:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.450 7.081 7.269 1.00 0.00 N ATOM 312 CA ILE A 22 -10.501 6.979 5.830 1.00 0.00 C ATOM 313 C ILE A 22 -10.340 5.520 5.414 1.00 0.00 C ATOM 314 O ILE A 22 -9.644 4.758 6.062 1.00 0.00 O ATOM 315 CB ILE A 22 -9.402 7.880 5.158 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.971 7.337 3.787 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.199 8.051 6.071 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.983 8.225 3.058 1.00 0.00 C ATOM 0 HA ILE A 22 -11.471 7.340 5.487 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.851 8.860 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.528 6.350 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.856 7.207 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.456 8.679 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.513 8.522 7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.764 7.075 6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.727 7.774 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.429 9.205 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.080 8.335 3.659 1.00 0.00 H new ATOM 330 N LYS A 23 -11.021 5.113 4.375 1.00 0.00 N ATOM 331 CA LYS A 23 -10.900 3.755 3.902 1.00 0.00 C ATOM 332 C LYS A 23 -10.233 3.742 2.542 1.00 0.00 C ATOM 333 O LYS A 23 -10.434 4.648 1.742 1.00 0.00 O ATOM 334 CB LYS A 23 -12.273 3.082 3.840 1.00 0.00 C ATOM 335 CG LYS A 23 -13.242 3.740 2.878 1.00 0.00 C ATOM 336 CD LYS A 23 -14.574 3.027 2.887 1.00 0.00 C ATOM 337 CE LYS A 23 -15.437 3.453 1.721 1.00 0.00 C ATOM 338 NZ LYS A 23 -15.925 4.850 1.846 1.00 0.00 N ATOM 0 H LYS A 23 -11.663 5.698 3.841 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.281 3.191 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.142 2.039 3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.712 3.083 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.382 4.785 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.825 3.729 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.412 1.950 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.094 3.236 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.867 3.354 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.291 2.780 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.678 5.018 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.300 5.002 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.139 5.509 1.673 1.00 0.00 H new ATOM 352 N LEU A 24 -9.422 2.743 2.282 1.00 0.00 N ATOM 353 CA LEU A 24 -8.739 2.635 1.000 1.00 0.00 C ATOM 354 C LEU A 24 -8.818 1.225 0.462 1.00 0.00 C ATOM 355 O LEU A 24 -8.904 0.256 1.225 1.00 0.00 O ATOM 356 CB LEU A 24 -7.276 3.065 1.121 1.00 0.00 C ATOM 357 CG LEU A 24 -7.033 4.561 1.337 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.553 4.831 1.525 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.575 5.365 0.160 1.00 0.00 C ATOM 0 H LEU A 24 -9.215 1.989 2.937 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.243 3.304 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.825 2.520 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.752 2.759 0.216 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.561 4.872 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.394 5.899 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.191 4.282 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.008 4.506 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.394 6.426 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.073 5.053 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.647 5.191 0.063 1.00 0.00 H new ATOM 371 N LYS A 25 -8.793 1.096 -0.849 1.00 0.00 N ATOM 372 CA LYS A 25 -8.846 -0.196 -1.475 1.00 0.00 C ATOM 373 C LYS A 25 -7.641 -0.426 -2.351 1.00 0.00 C ATOM 374 O LYS A 25 -7.260 0.416 -3.163 1.00 0.00 O ATOM 375 CB LYS A 25 -10.168 -0.373 -2.249 1.00 0.00 C ATOM 376 CG LYS A 25 -10.207 -1.534 -3.267 1.00 0.00 C ATOM 377 CD LYS A 25 -9.759 -1.082 -4.652 1.00 0.00 C ATOM 378 CE LYS A 25 -10.410 -1.892 -5.767 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.891 -1.758 -5.791 1.00 0.00 N ATOM 0 H LYS A 25 -8.736 1.880 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.821 -0.957 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.971 -0.522 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.383 0.555 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.563 -2.343 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.219 -1.935 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.002 -0.028 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.675 -1.171 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.006 -1.570 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.147 -2.943 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.251 -2.047 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.306 -2.365 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.153 -0.768 -5.610 1.00 0.00 H new ATOM 393 N VAL A 26 -7.027 -1.559 -2.170 1.00 0.00 N ATOM 394 CA VAL A 26 -5.907 -1.957 -2.973 1.00 0.00 C ATOM 395 C VAL A 26 -6.397 -2.933 -4.026 1.00 0.00 C ATOM 396 O VAL A 26 -7.136 -3.870 -3.716 1.00 0.00 O ATOM 397 CB VAL A 26 -4.790 -2.606 -2.112 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.696 -3.184 -2.986 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.207 -1.591 -1.144 1.00 0.00 C ATOM 0 H VAL A 26 -7.291 -2.238 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.475 -1.075 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.236 -3.420 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.927 -3.632 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.118 -3.946 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.255 -2.390 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.426 -2.063 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.783 -0.757 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.993 -1.224 -0.485 1.00 0.00 H new ATOM 409 N ILE A 27 -6.028 -2.706 -5.269 1.00 0.00 N ATOM 410 CA ILE A 27 -6.478 -3.550 -6.352 1.00 0.00 C ATOM 411 C ILE A 27 -5.295 -4.089 -7.148 1.00 0.00 C ATOM 412 O ILE A 27 -4.280 -3.416 -7.313 1.00 0.00 O ATOM 413 CB ILE A 27 -7.463 -2.793 -7.291 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.077 -3.749 -8.324 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.774 -1.623 -7.979 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.084 -3.094 -9.248 1.00 0.00 C ATOM 0 H ILE A 27 -5.416 -1.941 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.012 -4.391 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.270 -2.393 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.277 -4.182 -8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.562 -4.572 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.485 -1.113 -8.628 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.404 -0.926 -7.227 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.939 -1.992 -8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.471 -3.835 -9.948 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.906 -2.686 -8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.600 -2.290 -9.802 1.00 0.00 H new ATOM 428 N GLY A 28 -5.418 -5.309 -7.620 1.00 0.00 N ATOM 429 CA GLY A 28 -4.368 -5.914 -8.395 1.00 0.00 C ATOM 430 C GLY A 28 -4.828 -6.219 -9.799 1.00 0.00 C ATOM 431 O GLY A 28 -6.031 -6.231 -10.079 1.00 0.00 O ATOM 0 H GLY A 28 -6.238 -5.900 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.507 -5.246 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.039 -6.833 -7.910 1.00 0.00 H new ATOM 435 N GLN A 29 -3.884 -6.490 -10.693 1.00 0.00 N ATOM 436 CA GLN A 29 -4.208 -6.787 -12.099 1.00 0.00 C ATOM 437 C GLN A 29 -5.038 -8.071 -12.244 1.00 0.00 C ATOM 438 O GLN A 29 -5.574 -8.358 -13.310 1.00 0.00 O ATOM 439 CB GLN A 29 -2.938 -6.897 -12.960 1.00 0.00 C ATOM 440 CG GLN A 29 -2.074 -8.129 -12.684 1.00 0.00 C ATOM 441 CD GLN A 29 -1.134 -7.945 -11.513 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.028 -7.450 -11.676 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.533 -8.399 -10.346 1.00 0.00 N ATOM 0 H GLN A 29 -2.887 -6.512 -10.478 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.807 -5.949 -12.455 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.229 -6.904 -14.010 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.332 -6.005 -12.803 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.722 -8.984 -12.491 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.493 -8.365 -13.575 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.463 -8.806 -10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.912 -8.345 -9.538 1.00 0.00 H new ATOM 452 N ASP A 30 -5.153 -8.834 -11.167 1.00 0.00 N ATOM 453 CA ASP A 30 -5.904 -10.086 -11.191 1.00 0.00 C ATOM 454 C ASP A 30 -7.323 -9.856 -10.710 1.00 0.00 C ATOM 455 O ASP A 30 -8.035 -10.797 -10.347 1.00 0.00 O ATOM 456 CB ASP A 30 -5.222 -11.141 -10.314 1.00 0.00 C ATOM 457 CG ASP A 30 -3.808 -11.440 -10.757 1.00 0.00 C ATOM 458 OD1 ASP A 30 -2.895 -10.703 -10.350 1.00 0.00 O ATOM 459 OD2 ASP A 30 -3.605 -12.414 -11.528 1.00 0.00 O ATOM 0 H ASP A 30 -4.736 -8.610 -10.263 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.930 -10.449 -12.218 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.209 -10.796 -9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.808 -12.060 -10.336 1.00 0.00 H new ATOM 464 N SER A 31 -7.732 -8.581 -10.702 1.00 0.00 N ATOM 465 CA SER A 31 -9.073 -8.171 -10.267 1.00 0.00 C ATOM 466 C SER A 31 -9.250 -8.363 -8.761 1.00 0.00 C ATOM 467 O SER A 31 -10.369 -8.370 -8.243 1.00 0.00 O ATOM 468 CB SER A 31 -10.161 -8.925 -11.048 1.00 0.00 C ATOM 469 OG SER A 31 -10.032 -8.698 -12.445 1.00 0.00 O ATOM 0 H SER A 31 -7.141 -7.804 -10.997 1.00 0.00 H new ATOM 0 HA SER A 31 -9.179 -7.108 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.089 -9.993 -10.841 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.146 -8.601 -10.712 1.00 0.00 H new ATOM 0 HG SER A 31 -10.733 -9.189 -12.922 1.00 0.00 H new ATOM 475 N SER A 32 -8.141 -8.513 -8.062 1.00 0.00 N ATOM 476 CA SER A 32 -8.151 -8.676 -6.626 1.00 0.00 C ATOM 477 C SER A 32 -8.313 -7.317 -5.953 1.00 0.00 C ATOM 478 O SER A 32 -7.697 -6.339 -6.363 1.00 0.00 O ATOM 479 CB SER A 32 -6.838 -9.320 -6.181 1.00 0.00 C ATOM 480 OG SER A 32 -6.518 -10.430 -7.003 1.00 0.00 O ATOM 0 H SER A 32 -7.209 -8.525 -8.476 1.00 0.00 H new ATOM 0 HA SER A 32 -8.985 -9.316 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.034 -8.585 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.919 -9.642 -5.143 1.00 0.00 H new ATOM 0 HG SER A 32 -5.674 -10.827 -6.703 1.00 0.00 H new ATOM 486 N GLU A 33 -9.148 -7.250 -4.934 1.00 0.00 N ATOM 487 CA GLU A 33 -9.347 -6.006 -4.224 1.00 0.00 C ATOM 488 C GLU A 33 -9.550 -6.220 -2.743 1.00 0.00 C ATOM 489 O GLU A 33 -10.191 -7.179 -2.311 1.00 0.00 O ATOM 490 CB GLU A 33 -10.500 -5.202 -4.805 1.00 0.00 C ATOM 491 CG GLU A 33 -11.869 -5.805 -4.609 1.00 0.00 C ATOM 492 CD GLU A 33 -12.949 -4.899 -5.134 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.159 -3.816 -4.542 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.567 -5.242 -6.158 1.00 0.00 O ATOM 0 H GLU A 33 -9.694 -8.037 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.430 -5.431 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.491 -4.209 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.328 -5.071 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.920 -6.767 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.036 -5.996 -3.549 1.00 0.00 H new ATOM 501 N ILE A 34 -8.995 -5.319 -1.966 1.00 0.00 N ATOM 502 CA ILE A 34 -9.104 -5.354 -0.521 1.00 0.00 C ATOM 503 C ILE A 34 -9.413 -3.966 0.009 1.00 0.00 C ATOM 504 O ILE A 34 -8.759 -2.991 -0.358 1.00 0.00 O ATOM 505 CB ILE A 34 -7.798 -5.866 0.127 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.585 -5.198 -0.535 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.708 -7.386 0.032 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.259 -5.573 0.074 1.00 0.00 C ATOM 0 H ILE A 34 -8.450 -4.533 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.912 -6.039 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.803 -5.600 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.573 -5.461 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.705 -4.116 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.781 -7.725 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.556 -7.834 0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.722 -7.687 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.457 -5.057 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.247 -5.284 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.113 -6.650 -0.008 1.00 0.00 H new ATOM 520 N HIS A 35 -10.427 -3.862 0.845 1.00 0.00 N ATOM 521 CA HIS A 35 -10.811 -2.578 1.421 1.00 0.00 C ATOM 522 C HIS A 35 -10.427 -2.537 2.886 1.00 0.00 C ATOM 523 O HIS A 35 -10.952 -3.300 3.698 1.00 0.00 O ATOM 524 CB HIS A 35 -12.322 -2.328 1.265 1.00 0.00 C ATOM 525 CG HIS A 35 -12.795 -2.197 -0.159 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.618 -1.181 -0.586 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.573 -2.975 -1.249 1.00 0.00 C ATOM 528 CE1 HIS A 35 -13.881 -1.340 -1.868 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.260 -2.420 -2.293 1.00 0.00 N ATOM 0 H HIS A 35 -11.003 -4.649 1.144 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.281 -1.791 0.885 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.863 -3.147 1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.584 -1.418 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.966 -3.867 -1.285 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.502 -0.692 -2.469 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.287 -2.784 -3.246 1.00 0.00 H new ATOM 538 N PHE A 36 -9.512 -1.660 3.232 1.00 0.00 N ATOM 539 CA PHE A 36 -9.044 -1.563 4.605 1.00 0.00 C ATOM 540 C PHE A 36 -9.360 -0.216 5.222 1.00 0.00 C ATOM 541 O PHE A 36 -9.600 0.776 4.521 1.00 0.00 O ATOM 542 CB PHE A 36 -7.542 -1.841 4.697 1.00 0.00 C ATOM 543 CG PHE A 36 -7.192 -3.301 4.649 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.279 -4.079 5.790 1.00 0.00 C ATOM 545 CD2 PHE A 36 -6.774 -3.893 3.471 1.00 0.00 C ATOM 546 CE1 PHE A 36 -6.956 -5.421 5.758 1.00 0.00 C ATOM 547 CE2 PHE A 36 -6.450 -5.235 3.436 1.00 0.00 C ATOM 548 CZ PHE A 36 -6.541 -5.998 4.579 1.00 0.00 C ATOM 0 H PHE A 36 -9.075 -1.003 2.586 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.580 -2.324 5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.036 -1.329 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.159 -1.415 5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.604 -3.631 6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.700 -3.301 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.029 -6.017 6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.125 -5.687 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.287 -7.047 4.550 1.00 0.00 H new ATOM 558 N LYS A 37 -9.362 -0.185 6.539 1.00 0.00 N ATOM 559 CA LYS A 37 -9.629 1.022 7.286 1.00 0.00 C ATOM 560 C LYS A 37 -8.324 1.649 7.738 1.00 0.00 C ATOM 561 O LYS A 37 -7.521 1.014 8.420 1.00 0.00 O ATOM 562 CB LYS A 37 -10.507 0.703 8.496 1.00 0.00 C ATOM 563 CG LYS A 37 -10.926 1.925 9.306 1.00 0.00 C ATOM 564 CD LYS A 37 -11.736 2.913 8.472 1.00 0.00 C ATOM 565 CE LYS A 37 -12.949 2.254 7.826 1.00 0.00 C ATOM 566 NZ LYS A 37 -13.832 1.587 8.822 1.00 0.00 N ATOM 0 H LYS A 37 -9.177 -1.001 7.122 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.156 1.729 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.402 0.184 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.970 0.015 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.517 1.606 10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.038 2.423 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.065 3.737 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.100 3.340 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.522 3.006 7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.613 1.520 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.707 1.273 8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.340 0.764 9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.067 2.257 9.582 1.00 0.00 H new ATOM 580 N VAL A 38 -8.104 2.886 7.357 1.00 0.00 N ATOM 581 CA VAL A 38 -6.884 3.582 7.698 1.00 0.00 C ATOM 582 C VAL A 38 -7.190 4.959 8.289 1.00 0.00 C ATOM 583 O VAL A 38 -8.349 5.389 8.343 1.00 0.00 O ATOM 584 CB VAL A 38 -5.953 3.733 6.456 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.521 2.370 5.940 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.635 4.525 5.347 1.00 0.00 C ATOM 0 H VAL A 38 -8.762 3.436 6.805 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.365 2.984 8.447 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.067 4.285 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.872 2.498 5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.980 1.839 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.401 1.794 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.961 4.613 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.544 4.010 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.888 5.520 5.713 1.00 0.00 H new ATOM 622 N MET A 40 -5.194 9.085 8.891 1.00 0.00 N ATOM 623 CA MET A 40 -4.584 10.105 8.059 1.00 0.00 C ATOM 624 C MET A 40 -3.096 9.802 7.842 1.00 0.00 C ATOM 625 O MET A 40 -2.555 10.015 6.761 1.00 0.00 O ATOM 626 CB MET A 40 -4.769 11.489 8.699 1.00 0.00 C ATOM 627 CG MET A 40 -4.309 12.670 7.845 1.00 0.00 C ATOM 628 SD MET A 40 -5.534 13.236 6.621 1.00 0.00 S ATOM 629 CE MET A 40 -5.614 11.858 5.474 1.00 0.00 C ATOM 0 HA MET A 40 -5.076 10.104 7.086 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.824 11.623 8.937 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.224 11.510 9.643 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.059 13.503 8.503 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.394 12.390 7.323 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.788 12.234 4.466 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.673 11.308 5.499 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.430 11.194 5.760 1.00 0.00 H new ATOM 639 N THR A 41 -2.451 9.270 8.863 1.00 0.00 N ATOM 640 CA THR A 41 -1.023 8.991 8.810 1.00 0.00 C ATOM 641 C THR A 41 -0.706 7.489 8.839 1.00 0.00 C ATOM 642 O THR A 41 0.362 7.076 9.306 1.00 0.00 O ATOM 643 CB THR A 41 -0.308 9.683 9.975 1.00 0.00 C ATOM 644 OG1 THR A 41 -1.027 9.441 11.193 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.219 11.173 9.725 1.00 0.00 C ATOM 0 H THR A 41 -2.895 9.020 9.747 1.00 0.00 H new ATOM 0 HA THR A 41 -0.664 9.382 7.858 1.00 0.00 H new ATOM 0 HB THR A 41 0.701 9.279 10.060 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.568 9.883 11.937 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.291 11.652 10.561 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.339 11.355 8.806 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.223 11.586 9.628 1.00 0.00 H new ATOM 653 N THR A 42 -1.611 6.668 8.332 1.00 0.00 N ATOM 654 CA THR A 42 -1.380 5.230 8.296 1.00 0.00 C ATOM 655 C THR A 42 -0.327 4.871 7.260 1.00 0.00 C ATOM 656 O THR A 42 -0.454 5.219 6.084 1.00 0.00 O ATOM 657 CB THR A 42 -2.665 4.445 7.971 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.663 4.734 8.936 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.393 2.948 7.964 1.00 0.00 C ATOM 0 H THR A 42 -2.505 6.967 7.943 1.00 0.00 H new ATOM 0 HA THR A 42 -1.036 4.953 9.292 1.00 0.00 H new ATOM 0 HB THR A 42 -3.010 4.747 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.341 4.027 8.927 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.313 2.412 7.732 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.640 2.719 7.210 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.030 2.639 8.945 1.00 0.00 H new ATOM 667 N HIS A 43 0.720 4.187 7.696 1.00 0.00 N ATOM 668 CA HIS A 43 1.746 3.710 6.784 1.00 0.00 C ATOM 669 C HIS A 43 1.133 2.635 5.910 1.00 0.00 C ATOM 670 O HIS A 43 0.860 1.524 6.367 1.00 0.00 O ATOM 671 CB HIS A 43 2.953 3.147 7.555 1.00 0.00 C ATOM 672 CG HIS A 43 3.681 4.162 8.398 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.871 3.895 9.035 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.376 5.447 8.704 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.265 4.964 9.700 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.377 5.922 9.514 1.00 0.00 N ATOM 0 H HIS A 43 0.881 3.950 8.675 1.00 0.00 H new ATOM 0 HA HIS A 43 2.107 4.537 6.173 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.612 2.336 8.198 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.655 2.714 6.842 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.507 5.995 8.372 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.162 5.042 10.296 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.426 6.862 9.908 1.00 0.00 H new ATOM 685 N LEU A 44 0.908 2.951 4.653 1.00 0.00 N ATOM 686 CA LEU A 44 0.198 2.050 3.766 1.00 0.00 C ATOM 687 C LEU A 44 1.026 0.853 3.365 1.00 0.00 C ATOM 688 O LEU A 44 0.490 -0.141 2.882 1.00 0.00 O ATOM 689 CB LEU A 44 -0.290 2.786 2.535 1.00 0.00 C ATOM 690 CG LEU A 44 -1.357 3.841 2.785 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.676 4.572 1.504 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.616 3.206 3.365 1.00 0.00 C ATOM 0 H LEU A 44 1.206 3.825 4.220 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.659 1.674 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.564 3.264 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.684 2.056 1.828 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.972 4.558 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.441 5.325 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.775 5.057 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.042 3.863 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.367 3.977 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.007 2.468 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.375 2.718 4.309 1.00 0.00 H new ATOM 704 N LYS A 45 2.328 0.929 3.559 1.00 0.00 N ATOM 705 CA LYS A 45 3.199 -0.164 3.240 1.00 0.00 C ATOM 706 C LYS A 45 2.846 -1.368 4.102 1.00 0.00 C ATOM 707 O LYS A 45 2.904 -2.514 3.656 1.00 0.00 O ATOM 708 CB LYS A 45 4.640 0.256 3.451 1.00 0.00 C ATOM 709 CG LYS A 45 5.652 -0.749 2.964 1.00 0.00 C ATOM 710 CD LYS A 45 6.286 -1.513 4.101 1.00 0.00 C ATOM 711 CE LYS A 45 7.314 -2.470 3.563 1.00 0.00 C ATOM 712 NZ LYS A 45 8.011 -3.220 4.636 1.00 0.00 N ATOM 0 H LYS A 45 2.801 1.748 3.940 1.00 0.00 H new ATOM 0 HA LYS A 45 3.074 -0.444 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.810 1.203 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.803 0.434 4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.168 -1.449 2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.428 -0.236 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.753 -0.820 4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.522 -2.059 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.830 -3.175 2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.047 -1.917 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.959 -3.494 4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.097 -2.619 5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.466 -4.074 4.873 1.00 0.00 H new ATOM 726 N LYS A 46 2.431 -1.093 5.333 1.00 0.00 N ATOM 727 CA LYS A 46 2.046 -2.131 6.272 1.00 0.00 C ATOM 728 C LYS A 46 0.752 -2.821 5.802 1.00 0.00 C ATOM 729 O LYS A 46 0.517 -4.004 6.082 1.00 0.00 O ATOM 730 CB LYS A 46 1.887 -1.517 7.683 1.00 0.00 C ATOM 731 CG LYS A 46 1.634 -2.524 8.805 1.00 0.00 C ATOM 732 CD LYS A 46 0.150 -2.816 8.987 1.00 0.00 C ATOM 733 CE LYS A 46 -0.082 -3.890 10.038 1.00 0.00 C ATOM 734 NZ LYS A 46 0.448 -3.500 11.373 1.00 0.00 N ATOM 0 H LYS A 46 2.353 -0.146 5.704 1.00 0.00 H new ATOM 0 HA LYS A 46 2.824 -2.893 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.789 -0.952 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.061 -0.806 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.162 -3.452 8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.044 -2.138 9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.369 -1.903 9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.278 -3.137 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.150 -4.091 10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.394 -4.817 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.135 -4.190 12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.487 -3.482 11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.093 -2.556 11.625 1.00 0.00 H new ATOM 748 N LEU A 47 -0.074 -2.088 5.052 1.00 0.00 N ATOM 749 CA LEU A 47 -1.305 -2.637 4.517 1.00 0.00 C ATOM 750 C LEU A 47 -0.940 -3.639 3.443 1.00 0.00 C ATOM 751 O LEU A 47 -1.480 -4.740 3.379 1.00 0.00 O ATOM 752 CB LEU A 47 -2.185 -1.500 3.926 1.00 0.00 C ATOM 753 CG LEU A 47 -3.598 -1.883 3.412 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.419 -0.636 3.144 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.532 -2.717 2.141 1.00 0.00 C ATOM 0 H LEU A 47 0.095 -1.113 4.806 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.878 -3.127 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.302 -0.733 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.638 -1.046 3.100 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.071 -2.480 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.407 -0.922 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.520 -0.062 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.920 -0.027 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.542 -2.964 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.027 -2.150 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.980 -3.636 2.337 1.00 0.00 H new ATOM 767 N LYS A 48 0.001 -3.249 2.602 1.00 0.00 N ATOM 768 CA LYS A 48 0.448 -4.094 1.522 1.00 0.00 C ATOM 769 C LYS A 48 1.075 -5.375 2.053 1.00 0.00 C ATOM 770 O LYS A 48 0.815 -6.450 1.535 1.00 0.00 O ATOM 771 CB LYS A 48 1.414 -3.350 0.609 1.00 0.00 C ATOM 772 CG LYS A 48 0.727 -2.435 -0.403 1.00 0.00 C ATOM 773 CD LYS A 48 -0.056 -1.322 0.261 1.00 0.00 C ATOM 774 CE LYS A 48 -0.720 -0.434 -0.761 1.00 0.00 C ATOM 775 NZ LYS A 48 -1.498 0.663 -0.129 1.00 0.00 N ATOM 0 H LYS A 48 0.470 -2.345 2.652 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.425 -4.370 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.092 -2.755 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.024 -4.076 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.477 -2.002 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.055 -3.026 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.812 -1.749 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.611 -0.727 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.039 -0.008 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.382 -1.034 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.430 0.735 -0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.622 0.462 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.987 1.561 -0.243 1.00 0.00 H new ATOM 789 N GLU A 49 1.929 -5.266 3.077 1.00 0.00 N ATOM 790 CA GLU A 49 2.500 -6.452 3.729 1.00 0.00 C ATOM 791 C GLU A 49 1.393 -7.408 4.170 1.00 0.00 C ATOM 792 O GLU A 49 1.479 -8.621 3.964 1.00 0.00 O ATOM 793 CB GLU A 49 3.347 -6.050 4.936 1.00 0.00 C ATOM 794 CG GLU A 49 4.492 -5.116 4.599 1.00 0.00 C ATOM 795 CD GLU A 49 5.321 -4.750 5.810 1.00 0.00 C ATOM 796 OE1 GLU A 49 4.778 -4.124 6.737 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.528 -5.064 5.824 1.00 0.00 O ATOM 0 H GLU A 49 2.238 -4.377 3.470 1.00 0.00 H new ATOM 0 HA GLU A 49 3.138 -6.959 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.705 -5.570 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.750 -6.950 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.133 -5.587 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.094 -4.207 4.148 1.00 0.00 H new ATOM 804 N SER A 50 0.340 -6.852 4.762 1.00 0.00 N ATOM 805 CA SER A 50 -0.806 -7.639 5.197 1.00 0.00 C ATOM 806 C SER A 50 -1.467 -8.319 3.988 1.00 0.00 C ATOM 807 O SER A 50 -1.934 -9.454 4.062 1.00 0.00 O ATOM 808 CB SER A 50 -1.807 -6.737 5.924 1.00 0.00 C ATOM 809 OG SER A 50 -1.168 -6.016 6.977 1.00 0.00 O ATOM 0 H SER A 50 0.258 -5.853 4.952 1.00 0.00 H new ATOM 0 HA SER A 50 -0.471 -8.414 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.253 -6.038 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.618 -7.340 6.331 1.00 0.00 H new ATOM 0 HG SER A 50 -0.638 -5.284 6.598 1.00 0.00 H new ATOM 815 N TYR A 51 -1.480 -7.616 2.868 1.00 0.00 N ATOM 816 CA TYR A 51 -2.014 -8.138 1.624 1.00 0.00 C ATOM 817 C TYR A 51 -1.125 -9.253 1.075 1.00 0.00 C ATOM 818 O TYR A 51 -1.617 -10.256 0.565 1.00 0.00 O ATOM 819 CB TYR A 51 -2.164 -6.992 0.602 1.00 0.00 C ATOM 820 CG TYR A 51 -1.864 -7.373 -0.832 1.00 0.00 C ATOM 821 CD1 TYR A 51 -2.806 -8.020 -1.624 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.631 -7.083 -1.391 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.516 -8.367 -2.930 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.336 -7.427 -2.688 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.277 -8.067 -3.454 1.00 0.00 C ATOM 826 OH TYR A 51 -0.970 -8.419 -4.746 1.00 0.00 O ATOM 0 H TYR A 51 -1.119 -6.665 2.797 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.997 -8.568 1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.183 -6.609 0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.501 -6.177 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.777 -8.254 -1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.114 -6.576 -0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.255 -8.870 -3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.634 -7.194 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.162 -9.371 -4.880 1.00 0.00 H new ATOM 836 N CYS A 52 0.182 -9.092 1.193 1.00 0.00 N ATOM 837 CA CYS A 52 1.115 -10.075 0.672 1.00 0.00 C ATOM 838 C CYS A 52 1.009 -11.381 1.437 1.00 0.00 C ATOM 839 O CYS A 52 0.954 -12.448 0.844 1.00 0.00 O ATOM 840 CB CYS A 52 2.546 -9.549 0.734 1.00 0.00 C ATOM 841 SG CYS A 52 2.783 -7.955 -0.080 1.00 0.00 S ATOM 0 H CYS A 52 0.621 -8.290 1.645 1.00 0.00 H new ATOM 0 HA CYS A 52 0.855 -10.261 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.843 -9.459 1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.211 -10.281 0.275 1.00 0.00 H new ATOM 0 HG CYS A 52 1.885 -7.115 0.341 1.00 0.00 H new ATOM 847 N GLN A 53 0.953 -11.299 2.755 1.00 0.00 N ATOM 848 CA GLN A 53 0.873 -12.497 3.583 1.00 0.00 C ATOM 849 C GLN A 53 -0.472 -13.199 3.417 1.00 0.00 C ATOM 850 O GLN A 53 -0.544 -14.427 3.399 1.00 0.00 O ATOM 851 CB GLN A 53 1.126 -12.172 5.057 1.00 0.00 C ATOM 852 CG GLN A 53 0.173 -11.151 5.642 1.00 0.00 C ATOM 853 CD GLN A 53 0.306 -11.027 7.140 1.00 0.00 C ATOM 854 OE1 GLN A 53 1.378 -11.250 7.697 1.00 0.00 O ATOM 855 NE2 GLN A 53 -0.779 -10.675 7.801 1.00 0.00 N ATOM 0 H GLN A 53 0.961 -10.422 3.276 1.00 0.00 H new ATOM 0 HA GLN A 53 1.655 -13.176 3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.055 -13.092 5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.146 -11.804 5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.359 -10.180 5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.851 -11.430 5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.648 -10.499 7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.749 -10.578 8.816 1.00 0.00 H new ATOM 864 N ARG A 54 -1.540 -12.420 3.297 1.00 0.00 N ATOM 865 CA ARG A 54 -2.878 -12.972 3.116 1.00 0.00 C ATOM 866 C ARG A 54 -3.003 -13.658 1.763 1.00 0.00 C ATOM 867 O ARG A 54 -3.671 -14.682 1.626 1.00 0.00 O ATOM 868 CB ARG A 54 -3.913 -11.867 3.238 1.00 0.00 C ATOM 869 CG ARG A 54 -5.344 -12.355 3.176 1.00 0.00 C ATOM 870 CD ARG A 54 -6.312 -11.226 3.466 1.00 0.00 C ATOM 871 NE ARG A 54 -6.026 -10.589 4.756 1.00 0.00 N ATOM 872 CZ ARG A 54 -6.826 -9.713 5.367 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.993 -9.362 4.819 1.00 0.00 N ATOM 874 NH2 ARG A 54 -6.456 -9.187 6.528 1.00 0.00 N ATOM 0 H ARG A 54 -1.506 -11.401 3.322 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.053 -13.716 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.759 -11.342 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.752 -11.143 2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.549 -12.771 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.490 -13.159 3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.254 -10.482 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.332 -11.611 3.468 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.151 -10.834 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.279 -9.764 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.598 -8.692 5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.565 -9.453 6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.062 -8.517 7.001 1.00 0.00 H new ATOM 888 N GLN A 55 -2.356 -13.092 0.763 1.00 0.00 N ATOM 889 CA GLN A 55 -2.387 -13.645 -0.583 1.00 0.00 C ATOM 890 C GLN A 55 -1.257 -14.656 -0.769 1.00 0.00 C ATOM 891 O GLN A 55 -1.148 -15.311 -1.801 1.00 0.00 O ATOM 892 CB GLN A 55 -2.280 -12.518 -1.616 1.00 0.00 C ATOM 893 CG GLN A 55 -3.601 -11.804 -1.938 1.00 0.00 C ATOM 894 CD GLN A 55 -4.508 -11.595 -0.732 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.353 -12.431 -0.423 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.333 -10.487 -0.047 1.00 0.00 N ATOM 0 H GLN A 55 -1.798 -12.243 0.856 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.335 -14.162 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.565 -11.780 -1.253 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.873 -12.930 -2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.378 -10.834 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.140 -12.382 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.620 -9.816 -0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.910 -10.298 0.773 1.00 0.00 H new ATOM 905 N GLY A 56 -0.420 -14.761 0.249 1.00 0.00 N ATOM 906 CA GLY A 56 0.692 -15.696 0.240 1.00 0.00 C ATOM 907 C GLY A 56 1.719 -15.395 -0.839 1.00 0.00 C ATOM 908 O GLY A 56 2.282 -16.308 -1.444 1.00 0.00 O ATOM 0 H GLY A 56 -0.491 -14.204 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.182 -15.678 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.308 -16.706 0.095 1.00 0.00 H new ATOM 912 N VAL A 57 1.975 -14.121 -1.082 1.00 0.00 N ATOM 913 CA VAL A 57 2.941 -13.719 -2.095 1.00 0.00 C ATOM 914 C VAL A 57 4.123 -12.979 -1.498 1.00 0.00 C ATOM 915 O VAL A 57 3.978 -12.216 -0.540 1.00 0.00 O ATOM 916 CB VAL A 57 2.319 -12.840 -3.209 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.708 -13.702 -4.295 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.287 -11.881 -2.637 1.00 0.00 C ATOM 0 H VAL A 57 1.528 -13.346 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 57 3.284 -14.654 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 57 3.118 -12.246 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.277 -13.064 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.480 -14.334 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.927 -14.329 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.867 -11.277 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.491 -12.448 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.763 -11.229 -1.904 1.00 0.00 H new ATOM 928 N PRO A 58 5.317 -13.218 -2.053 1.00 0.00 N ATOM 929 CA PRO A 58 6.540 -12.532 -1.642 1.00 0.00 C ATOM 930 C PRO A 58 6.475 -11.034 -1.941 1.00 0.00 C ATOM 931 O PRO A 58 6.153 -10.617 -3.063 1.00 0.00 O ATOM 932 CB PRO A 58 7.631 -13.189 -2.495 1.00 0.00 C ATOM 933 CG PRO A 58 6.900 -13.802 -3.644 1.00 0.00 C ATOM 934 CD PRO A 58 5.566 -14.205 -3.114 1.00 0.00 C ATOM 0 HA PRO A 58 6.714 -12.617 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.361 -12.455 -2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.177 -13.942 -1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.796 -13.091 -4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.441 -14.664 -4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.798 -14.169 -3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.578 -15.223 -2.723 1.00 0.00 H new ATOM 942 N MET A 59 6.808 -10.230 -0.949 1.00 0.00 N ATOM 943 CA MET A 59 6.775 -8.775 -1.062 1.00 0.00 C ATOM 944 C MET A 59 7.764 -8.264 -2.115 1.00 0.00 C ATOM 945 O MET A 59 7.582 -7.198 -2.690 1.00 0.00 O ATOM 946 CB MET A 59 7.070 -8.120 0.295 1.00 0.00 C ATOM 947 CG MET A 59 8.432 -8.476 0.876 1.00 0.00 C ATOM 948 SD MET A 59 8.514 -10.166 1.502 1.00 0.00 S ATOM 949 CE MET A 59 10.208 -10.219 2.075 1.00 0.00 C ATOM 0 H MET A 59 7.112 -10.565 -0.035 1.00 0.00 H new ATOM 0 HA MET A 59 5.770 -8.499 -1.382 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.006 -7.037 0.185 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.296 -8.415 1.004 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.194 -8.342 0.108 1.00 0.00 H new ATOM 0 HG3 MET A 59 8.668 -7.784 1.684 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.420 -11.203 2.493 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.881 -10.027 1.239 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.357 -9.459 2.842 1.00 0.00 H new ATOM 959 N ASN A 60 8.808 -9.027 -2.365 1.00 0.00 N ATOM 960 CA ASN A 60 9.826 -8.629 -3.335 1.00 0.00 C ATOM 961 C ASN A 60 9.393 -8.910 -4.779 1.00 0.00 C ATOM 962 O ASN A 60 9.982 -8.379 -5.724 1.00 0.00 O ATOM 963 CB ASN A 60 11.162 -9.330 -3.046 1.00 0.00 C ATOM 964 CG ASN A 60 11.080 -10.841 -3.180 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.204 -11.382 -4.275 1.00 0.00 O ATOM 966 ND2 ASN A 60 10.900 -11.529 -2.067 1.00 0.00 N ATOM 0 H ASN A 60 8.980 -9.926 -1.915 1.00 0.00 H new ATOM 0 HA ASN A 60 9.955 -7.552 -3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.921 -8.951 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.488 -9.077 -2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.860 -12.548 -2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.801 -11.042 -1.176 1.00 0.00 H new ATOM 973 N SER A 61 8.366 -9.730 -4.960 1.00 0.00 N ATOM 974 CA SER A 61 7.926 -10.094 -6.303 1.00 0.00 C ATOM 975 C SER A 61 6.726 -9.256 -6.743 1.00 0.00 C ATOM 976 O SER A 61 6.355 -9.234 -7.912 1.00 0.00 O ATOM 977 CB SER A 61 7.581 -11.585 -6.359 1.00 0.00 C ATOM 978 OG SER A 61 7.439 -12.041 -7.696 1.00 0.00 O ATOM 0 H SER A 61 7.827 -10.152 -4.204 1.00 0.00 H new ATOM 0 HA SER A 61 8.746 -9.891 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.362 -12.158 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.655 -11.765 -5.813 1.00 0.00 H new ATOM 0 HG SER A 61 6.990 -11.353 -8.230 1.00 0.00 H new ATOM 984 N LEU A 62 6.108 -8.577 -5.809 1.00 0.00 N ATOM 985 CA LEU A 62 4.972 -7.754 -6.128 1.00 0.00 C ATOM 986 C LEU A 62 5.293 -6.272 -5.857 1.00 0.00 C ATOM 987 O LEU A 62 6.194 -5.950 -5.084 1.00 0.00 O ATOM 988 CB LEU A 62 3.703 -8.284 -5.380 1.00 0.00 C ATOM 989 CG LEU A 62 3.279 -7.635 -4.052 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.426 -7.521 -3.088 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.601 -6.312 -4.290 1.00 0.00 C ATOM 0 H LEU A 62 6.373 -8.579 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 62 4.744 -7.817 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.861 -8.201 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.856 -9.346 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 62 2.550 -8.295 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.080 -7.057 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.818 -8.514 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.213 -6.909 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.311 -5.875 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.287 -5.639 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.713 -6.463 -4.904 1.00 0.00 H new ATOM 1003 N ARG A 63 4.584 -5.387 -6.516 1.00 0.00 N ATOM 1004 CA ARG A 63 4.821 -3.959 -6.371 1.00 0.00 C ATOM 1005 C ARG A 63 3.530 -3.179 -6.180 1.00 0.00 C ATOM 1006 O ARG A 63 2.483 -3.525 -6.733 1.00 0.00 O ATOM 1007 CB ARG A 63 5.576 -3.435 -7.573 1.00 0.00 C ATOM 1008 CG ARG A 63 4.841 -3.636 -8.873 1.00 0.00 C ATOM 1009 CD ARG A 63 5.727 -3.331 -10.042 1.00 0.00 C ATOM 1010 NE ARG A 63 6.186 -1.942 -10.041 1.00 0.00 N ATOM 1011 CZ ARG A 63 6.291 -1.183 -11.135 1.00 0.00 C ATOM 1012 NH1 ARG A 63 5.913 -1.657 -12.316 1.00 0.00 N ATOM 1013 NH2 ARG A 63 6.765 0.048 -11.043 1.00 0.00 N ATOM 0 H ARG A 63 3.833 -5.626 -7.163 1.00 0.00 H new ATOM 0 HA ARG A 63 5.421 -3.816 -5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.772 -2.372 -7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.544 -3.933 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.486 -4.665 -8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.961 -2.993 -8.901 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.590 -3.997 -10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.187 -3.533 -10.967 1.00 0.00 H new ATOM 0 HE ARG A 63 6.443 -1.526 -9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.541 -2.604 -12.390 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.995 -1.074 -13.149 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.051 0.418 -10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.845 0.627 -11.879 1.00 0.00 H new ATOM 1027 N PHE A 64 3.613 -2.124 -5.390 1.00 0.00 N ATOM 1028 CA PHE A 64 2.461 -1.277 -5.084 1.00 0.00 C ATOM 1029 C PHE A 64 2.716 0.165 -5.463 1.00 0.00 C ATOM 1030 O PHE A 64 3.627 0.810 -4.941 1.00 0.00 O ATOM 1031 CB PHE A 64 2.111 -1.348 -3.594 1.00 0.00 C ATOM 1032 CG PHE A 64 3.081 -2.144 -2.768 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.924 -3.505 -2.645 1.00 0.00 C ATOM 1034 CD2 PHE A 64 4.140 -1.532 -2.115 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.793 -4.257 -1.892 1.00 0.00 C ATOM 1036 CE2 PHE A 64 5.020 -2.278 -1.353 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.846 -3.646 -1.244 1.00 0.00 C ATOM 0 H PHE A 64 4.478 -1.825 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 64 1.625 -1.654 -5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.059 -0.334 -3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.118 -1.783 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.102 -3.991 -3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.279 -0.464 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.652 -5.324 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.841 -1.794 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.533 -4.234 -0.653 1.00 0.00 H new ATOM 1047 N LEU A 65 1.910 0.678 -6.358 1.00 0.00 N ATOM 1048 CA LEU A 65 2.037 2.052 -6.784 1.00 0.00 C ATOM 1049 C LEU A 65 0.681 2.751 -6.905 1.00 0.00 C ATOM 1050 O LEU A 65 -0.367 2.116 -6.969 1.00 0.00 O ATOM 1051 CB LEU A 65 2.842 2.140 -8.100 1.00 0.00 C ATOM 1052 CG LEU A 65 2.520 1.089 -9.171 1.00 0.00 C ATOM 1053 CD1 LEU A 65 1.141 1.306 -9.753 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.569 1.111 -10.264 1.00 0.00 C ATOM 0 H LEU A 65 1.154 0.163 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 65 2.589 2.585 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.682 3.128 -8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.902 2.066 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 65 2.531 0.108 -8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.941 0.546 -10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.396 1.234 -8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.090 2.294 -10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.327 0.360 -11.016 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.589 2.097 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.547 0.892 -9.835 1.00 0.00 H new ATOM 1066 N PHE A 66 0.716 4.060 -6.906 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.469 4.874 -7.063 1.00 0.00 C ATOM 1068 C PHE A 66 -0.127 6.082 -7.900 1.00 0.00 C ATOM 1069 O PHE A 66 0.795 6.819 -7.575 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.020 5.312 -5.700 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.163 6.282 -5.802 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.368 5.888 -6.348 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -2.027 7.590 -5.360 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.419 6.772 -6.453 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -3.076 8.480 -5.462 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.273 8.070 -6.008 1.00 0.00 C ATOM 0 H PHE A 66 1.575 4.598 -6.797 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.241 4.286 -7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.349 4.431 -5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.217 5.768 -5.121 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.488 4.873 -6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.090 7.915 -4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.356 6.450 -6.883 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.959 9.496 -5.115 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.096 8.764 -6.088 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.857 6.282 -8.989 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.623 7.394 -9.917 1.00 0.00 C ATOM 1088 C GLU A 67 0.830 7.452 -10.402 1.00 0.00 C ATOM 1089 O GLU A 67 1.333 8.505 -10.791 1.00 0.00 O ATOM 1090 CB GLU A 67 -1.044 8.719 -9.284 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.513 8.760 -8.894 1.00 0.00 C ATOM 1092 CD GLU A 67 -3.449 8.478 -10.055 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -3.620 7.287 -10.419 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -4.032 9.442 -10.597 1.00 0.00 O ATOM 0 H GLU A 67 -1.633 5.678 -9.260 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.241 7.217 -10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.435 8.900 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.838 9.529 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.693 8.030 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.745 9.741 -8.479 1.00 0.00 H new ATOM 1101 N GLY A 68 1.500 6.311 -10.379 1.00 0.00 N ATOM 1102 CA GLY A 68 2.847 6.229 -10.893 1.00 0.00 C ATOM 1103 C GLY A 68 3.908 6.371 -9.822 1.00 0.00 C ATOM 1104 O GLY A 68 5.078 6.585 -10.126 1.00 0.00 O ATOM 0 H GLY A 68 1.130 5.435 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.977 5.272 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.990 7.008 -11.642 1.00 0.00 H new ATOM 1108 N GLN A 69 3.517 6.269 -8.562 1.00 0.00 N ATOM 1109 CA GLN A 69 4.480 6.349 -7.477 1.00 0.00 C ATOM 1110 C GLN A 69 4.360 5.138 -6.582 1.00 0.00 C ATOM 1111 O GLN A 69 3.259 4.736 -6.205 1.00 0.00 O ATOM 1112 CB GLN A 69 4.277 7.632 -6.668 1.00 0.00 C ATOM 1113 CG GLN A 69 3.031 7.643 -5.808 1.00 0.00 C ATOM 1114 CD GLN A 69 2.697 9.026 -5.295 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.586 9.835 -5.017 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.414 9.315 -5.189 1.00 0.00 N ATOM 0 H GLN A 69 2.550 6.132 -8.268 1.00 0.00 H new ATOM 0 HA GLN A 69 5.482 6.370 -7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.146 7.784 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.236 8.477 -7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.190 7.260 -6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.170 6.969 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.712 8.615 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.124 10.238 -4.866 1.00 0.00 H new ATOM 1125 N ARG A 70 5.476 4.540 -6.258 1.00 0.00 N ATOM 1126 CA ARG A 70 5.488 3.383 -5.389 1.00 0.00 C ATOM 1127 C ARG A 70 5.169 3.778 -3.962 1.00 0.00 C ATOM 1128 O ARG A 70 5.613 4.819 -3.465 1.00 0.00 O ATOM 1129 CB ARG A 70 6.830 2.652 -5.468 1.00 0.00 C ATOM 1130 CG ARG A 70 8.037 3.512 -5.143 1.00 0.00 C ATOM 1131 CD ARG A 70 9.323 2.743 -5.367 1.00 0.00 C ATOM 1132 NE ARG A 70 10.508 3.562 -5.134 1.00 0.00 N ATOM 1133 CZ ARG A 70 11.748 3.181 -5.435 1.00 0.00 C ATOM 1134 NH1 ARG A 70 11.964 1.984 -5.979 1.00 0.00 N ATOM 1135 NH2 ARG A 70 12.769 3.990 -5.190 1.00 0.00 N ATOM 0 H ARG A 70 6.397 4.834 -6.583 1.00 0.00 H new ATOM 0 HA ARG A 70 4.713 2.697 -5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.808 1.805 -4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.949 2.246 -6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.030 4.406 -5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.983 3.845 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.346 1.878 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.343 2.362 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 70 10.379 4.483 -4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.179 1.359 -6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.914 1.692 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.605 4.905 -4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.718 3.697 -5.421 1.00 0.00 H new ATOM 1149 N ILE A 71 4.356 2.988 -3.309 1.00 0.00 N ATOM 1150 CA ILE A 71 3.997 3.264 -1.946 1.00 0.00 C ATOM 1151 C ILE A 71 5.141 2.895 -1.006 1.00 0.00 C ATOM 1152 O ILE A 71 5.357 1.724 -0.687 1.00 0.00 O ATOM 1153 CB ILE A 71 2.711 2.517 -1.522 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.656 2.556 -2.647 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.147 3.148 -0.259 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.210 3.955 -3.038 1.00 0.00 C ATOM 0 H ILE A 71 3.931 2.148 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 71 3.801 4.334 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 71 2.963 1.475 -1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.062 2.057 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.784 1.984 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.241 2.620 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.884 3.082 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.911 4.195 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.468 3.891 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.771 4.452 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.070 4.527 -3.388 1.00 0.00 H new ATOM 1168 N ALA A 72 5.895 3.907 -0.592 1.00 0.00 N ATOM 1169 CA ALA A 72 7.011 3.736 0.324 1.00 0.00 C ATOM 1170 C ALA A 72 6.534 3.280 1.700 1.00 0.00 C ATOM 1171 O ALA A 72 5.332 3.268 1.989 1.00 0.00 O ATOM 1172 CB ALA A 72 7.783 5.038 0.446 1.00 0.00 C ATOM 0 H ALA A 72 5.747 4.873 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 72 7.665 2.963 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.618 4.903 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.163 5.329 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.123 5.818 0.825 1.00 0.00 H new ATOM 1178 N ASP A 73 7.480 2.957 2.571 1.00 0.00 N ATOM 1179 CA ASP A 73 7.168 2.455 3.904 1.00 0.00 C ATOM 1180 C ASP A 73 6.645 3.567 4.784 1.00 0.00 C ATOM 1181 O ASP A 73 5.965 3.327 5.777 1.00 0.00 O ATOM 1182 CB ASP A 73 8.399 1.805 4.553 1.00 0.00 C ATOM 1183 CG ASP A 73 9.446 2.815 4.985 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.150 3.360 4.109 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.572 3.063 6.205 1.00 0.00 O ATOM 0 H ASP A 73 8.478 3.034 2.377 1.00 0.00 H new ATOM 0 HA ASP A 73 6.394 1.695 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.082 1.225 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.847 1.105 3.848 1.00 0.00 H new ATOM 1190 N ASN A 74 6.937 4.792 4.406 1.00 0.00 N ATOM 1191 CA ASN A 74 6.525 5.950 5.166 1.00 0.00 C ATOM 1192 C ASN A 74 5.424 6.691 4.428 1.00 0.00 C ATOM 1193 O ASN A 74 4.989 7.767 4.844 1.00 0.00 O ATOM 1194 CB ASN A 74 7.716 6.887 5.395 1.00 0.00 C ATOM 1195 CG ASN A 74 8.300 7.432 4.098 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.259 6.782 3.052 1.00 0.00 O ATOM 1197 ND2 ASN A 74 8.848 8.620 4.156 1.00 0.00 N ATOM 0 H ASN A 74 7.467 5.013 3.563 1.00 0.00 H new ATOM 0 HA ASN A 74 6.147 5.616 6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.401 7.720 6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.493 6.352 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.258 9.034 3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.865 9.131 5.038 1.00 0.00 H new ATOM 1204 N HIS A 75 4.965 6.118 3.316 1.00 0.00 N ATOM 1205 CA HIS A 75 3.920 6.750 2.547 1.00 0.00 C ATOM 1206 C HIS A 75 2.575 6.519 3.192 1.00 0.00 C ATOM 1207 O HIS A 75 2.261 5.414 3.647 1.00 0.00 O ATOM 1208 CB HIS A 75 3.910 6.257 1.101 1.00 0.00 C ATOM 1209 CG HIS A 75 4.661 7.148 0.158 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.811 6.876 -1.186 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.281 8.333 0.367 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.485 7.853 -1.756 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.785 8.746 -0.838 1.00 0.00 N ATOM 0 H HIS A 75 5.301 5.231 2.940 1.00 0.00 H new ATOM 0 HA HIS A 75 4.123 7.821 2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.342 5.257 1.064 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.878 6.171 0.762 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.363 8.856 1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.748 7.911 -2.802 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.308 9.607 -0.998 1.00 0.00 H new ATOM 1222 N THR A 76 1.776 7.556 3.217 1.00 0.00 N ATOM 1223 CA THR A 76 0.476 7.519 3.845 1.00 0.00 C ATOM 1224 C THR A 76 -0.540 8.185 2.938 1.00 0.00 C ATOM 1225 O THR A 76 -0.157 8.845 1.962 1.00 0.00 O ATOM 1226 CB THR A 76 0.524 8.299 5.178 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.856 9.661 4.920 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.569 7.725 6.095 1.00 0.00 C ATOM 0 H THR A 76 2.010 8.457 2.800 1.00 0.00 H new ATOM 0 HA THR A 76 0.197 6.481 4.027 1.00 0.00 H new ATOM 0 HB THR A 76 -0.455 8.224 5.652 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.434 9.998 5.636 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.585 8.290 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.334 6.682 6.307 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.546 7.787 5.617 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.847 8.026 3.216 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.887 8.706 2.456 1.00 0.00 C ATOM 1238 C PRO A 77 -2.704 10.217 2.480 1.00 0.00 C ATOM 1239 O PRO A 77 -2.955 10.900 1.486 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.192 8.306 3.163 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.771 7.739 4.476 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.416 7.148 4.252 1.00 0.00 C ATOM 0 HA PRO A 77 -2.871 8.426 1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.846 9.167 3.298 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.747 7.573 2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.738 8.513 5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.476 6.981 4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.816 7.154 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.476 6.113 3.917 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.227 10.747 3.611 1.00 0.00 N ATOM 1251 CA LYS A 78 -2.000 12.178 3.736 1.00 0.00 C ATOM 1252 C LYS A 78 -0.781 12.578 2.913 1.00 0.00 C ATOM 1253 O LYS A 78 -0.753 13.631 2.287 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.764 12.583 5.210 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.331 12.362 5.672 1.00 0.00 C ATOM 1256 CD LYS A 78 0.016 13.146 6.910 1.00 0.00 C ATOM 1257 CE LYS A 78 1.516 13.080 7.171 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.252 14.163 6.479 1.00 0.00 N ATOM 0 H LYS A 78 -1.994 10.206 4.444 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.889 12.691 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.021 13.635 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.437 12.011 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.177 11.300 5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.351 12.641 4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.295 14.184 6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.528 12.747 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.700 13.146 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.899 12.114 6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.977 13.749 5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.588 14.724 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.708 14.777 7.183 1.00 0.00 H new ATOM 1272 N GLU A 79 0.221 11.701 2.891 1.00 0.00 N ATOM 1273 CA GLU A 79 1.481 11.996 2.254 1.00 0.00 C ATOM 1274 C GLU A 79 1.319 12.011 0.754 1.00 0.00 C ATOM 1275 O GLU A 79 1.864 12.860 0.052 1.00 0.00 O ATOM 1276 CB GLU A 79 2.517 10.955 2.651 1.00 0.00 C ATOM 1277 CG GLU A 79 3.911 11.517 2.828 1.00 0.00 C ATOM 1278 CD GLU A 79 3.954 12.668 3.807 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.969 12.412 5.022 1.00 0.00 O ATOM 1280 OE2 GLU A 79 3.981 13.833 3.365 1.00 0.00 O ATOM 0 H GLU A 79 0.173 10.774 3.314 1.00 0.00 H new ATOM 0 HA GLU A 79 1.817 12.980 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.205 10.482 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.544 10.174 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.576 10.726 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.289 11.852 1.862 1.00 0.00 H new ATOM 1287 N LEU A 80 0.555 11.066 0.265 1.00 0.00 N ATOM 1288 CA LEU A 80 0.311 10.928 -1.147 1.00 0.00 C ATOM 1289 C LEU A 80 -0.788 11.878 -1.613 1.00 0.00 C ATOM 1290 O LEU A 80 -0.989 12.074 -2.809 1.00 0.00 O ATOM 1291 CB LEU A 80 -0.061 9.484 -1.444 1.00 0.00 C ATOM 1292 CG LEU A 80 1.013 8.464 -1.081 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.453 7.065 -1.085 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.174 8.567 -2.040 1.00 0.00 C ATOM 0 H LEU A 80 0.083 10.368 0.839 1.00 0.00 H new ATOM 0 HA LEU A 80 1.217 11.191 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.974 9.239 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.287 9.392 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 80 1.366 8.684 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.240 6.357 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.356 6.995 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.069 6.830 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.934 7.834 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.826 8.373 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.601 9.569 -1.988 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.503 12.470 -0.665 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.561 13.400 -1.010 1.00 0.00 C ATOM 1308 C GLY A 81 -3.757 12.706 -1.627 1.00 0.00 C ATOM 1309 O GLY A 81 -4.404 13.236 -2.532 1.00 0.00 O ATOM 0 H GLY A 81 -1.370 12.323 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.877 13.936 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.175 14.143 -1.708 1.00 0.00 H new ATOM 1313 N MET A 82 -4.045 11.510 -1.159 1.00 0.00 N ATOM 1314 CA MET A 82 -5.172 10.745 -1.659 1.00 0.00 C ATOM 1315 C MET A 82 -6.431 11.061 -0.868 1.00 0.00 C ATOM 1316 O MET A 82 -6.392 11.777 0.132 1.00 0.00 O ATOM 1317 CB MET A 82 -4.884 9.250 -1.561 1.00 0.00 C ATOM 1318 CG MET A 82 -3.627 8.823 -2.281 1.00 0.00 C ATOM 1319 SD MET A 82 -3.375 7.041 -2.250 1.00 0.00 S ATOM 1320 CE MET A 82 -3.235 6.761 -0.500 1.00 0.00 C ATOM 0 H MET A 82 -3.511 11.042 -0.427 1.00 0.00 H new ATOM 0 HA MET A 82 -5.326 11.020 -2.702 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.801 8.974 -0.510 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.731 8.699 -1.970 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.675 9.160 -3.316 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.768 9.315 -1.825 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.075 5.699 -0.313 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.392 7.330 -0.107 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.152 7.082 -0.006 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.545 10.517 -1.309 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.807 10.694 -0.625 1.00 0.00 C ATOM 1332 C GLU A 83 -9.365 9.335 -0.248 1.00 0.00 C ATOM 1333 O GLU A 83 -8.769 8.307 -0.568 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.794 11.478 -1.487 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.345 12.902 -1.778 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.367 13.690 -2.554 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.265 14.285 -1.928 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.278 13.726 -3.799 1.00 0.00 O ATOM 0 H GLU A 83 -7.601 9.941 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.644 11.275 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.939 10.951 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.761 11.505 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.138 13.412 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.411 12.876 -2.339 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.495 9.303 0.429 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.042 8.040 0.879 1.00 0.00 C ATOM 1347 C GLU A 84 -11.772 7.303 -0.237 1.00 0.00 C ATOM 1348 O GLU A 84 -12.220 7.907 -1.219 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.933 8.227 2.130 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.188 9.067 1.931 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.316 8.296 1.281 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.620 7.175 1.744 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.917 8.811 0.313 1.00 0.00 O ATOM 0 H GLU A 84 -11.046 10.125 0.677 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.202 7.409 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.231 7.243 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.332 8.686 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.523 9.445 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.945 9.934 1.316 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.843 5.984 -0.094 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.519 5.092 -1.037 1.00 0.00 C ATOM 1362 C GLU A 85 -11.747 5.004 -2.362 1.00 0.00 C ATOM 1363 O GLU A 85 -12.208 4.395 -3.330 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.985 5.533 -1.255 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.902 4.438 -1.787 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.369 4.828 -1.733 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.872 5.134 -0.624 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -17.032 4.810 -2.784 1.00 0.00 O ATOM 0 H GLU A 85 -11.425 5.492 0.696 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.539 4.090 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.386 5.897 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.999 6.371 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.628 4.209 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.750 3.528 -1.207 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.549 5.593 -2.389 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.717 5.578 -3.588 1.00 0.00 C ATOM 1377 C ASP A 86 -9.089 4.200 -3.789 1.00 0.00 C ATOM 1378 O ASP A 86 -9.272 3.286 -2.963 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.630 6.659 -3.524 1.00 0.00 C ATOM 1380 CG ASP A 86 -8.362 7.291 -4.885 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.965 6.569 -5.825 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -8.562 8.520 -5.020 1.00 0.00 O ATOM 0 H ASP A 86 -10.137 6.084 -1.596 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.358 5.797 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.932 7.434 -2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.708 6.222 -3.141 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.328 4.043 -4.860 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.775 2.749 -5.198 1.00 0.00 C ATOM 1389 C VAL A 87 -6.268 2.810 -5.466 1.00 0.00 C ATOM 1390 O VAL A 87 -5.767 3.704 -6.148 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.505 2.116 -6.427 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.012 2.111 -6.217 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.158 2.847 -7.719 1.00 0.00 C ATOM 0 H VAL A 87 -8.082 4.794 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.936 2.115 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.159 1.086 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.499 1.666 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.253 1.529 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.365 3.134 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.683 2.381 -8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.460 3.891 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.083 2.792 -7.891 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.547 1.862 -4.898 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.115 1.731 -5.122 1.00 0.00 C ATOM 1405 C ILE A 88 -3.877 0.591 -6.103 1.00 0.00 C ATOM 1406 O ILE A 88 -4.566 -0.428 -6.048 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.331 1.474 -3.781 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.125 2.784 -2.996 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.984 0.801 -4.034 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.399 3.435 -2.509 1.00 0.00 C ATOM 0 H ILE A 88 -5.935 1.160 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.739 2.668 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.942 0.799 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.486 2.580 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.591 3.492 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.473 0.641 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.143 -0.158 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.372 1.439 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.156 4.350 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.034 3.675 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.927 2.750 -1.846 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.902 0.740 -6.980 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.651 -0.247 -8.017 1.00 0.00 C ATOM 1424 C GLU A 89 -1.505 -1.168 -7.606 1.00 0.00 C ATOM 1425 O GLU A 89 -0.431 -0.707 -7.200 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.304 0.458 -9.328 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.059 -0.482 -10.487 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.325 -0.883 -11.197 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.266 -1.351 -10.535 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.382 -0.717 -12.436 1.00 0.00 O ATOM 0 H GLU A 89 -2.267 1.538 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.550 -0.847 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.116 1.136 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.415 1.069 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.385 -0.005 -11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.555 -1.377 -10.122 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.720 -2.460 -7.695 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.707 -3.421 -7.330 1.00 0.00 C ATOM 1439 C VAL A 90 -0.472 -4.436 -8.438 1.00 0.00 C ATOM 1440 O VAL A 90 -1.413 -4.972 -9.036 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.066 -4.156 -6.006 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.282 -5.444 -5.872 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.786 -3.262 -4.814 1.00 0.00 C ATOM 0 H VAL A 90 -2.595 -2.872 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 90 0.215 -2.860 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.129 -4.396 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.551 -5.938 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.515 -6.100 -6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.785 -5.222 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.042 -3.790 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.271 -2.998 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.386 -2.355 -4.891 1.00 0.00 H new ATOM 1453 N TYR A 91 0.787 -4.697 -8.715 1.00 0.00 N ATOM 1454 CA TYR A 91 1.166 -5.675 -9.701 1.00 0.00 C ATOM 1455 C TYR A 91 1.962 -6.771 -9.033 1.00 0.00 C ATOM 1456 O TYR A 91 2.845 -6.500 -8.236 1.00 0.00 O ATOM 1457 CB TYR A 91 1.975 -5.028 -10.825 1.00 0.00 C ATOM 1458 CG TYR A 91 1.219 -3.941 -11.550 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.118 -4.245 -12.337 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.597 -2.612 -11.436 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.584 -3.258 -12.993 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.897 -1.619 -12.089 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.190 -1.944 -12.866 1.00 0.00 C ATOM 1464 OH TYR A 91 -0.891 -0.950 -13.515 1.00 0.00 O ATOM 0 H TYR A 91 1.574 -4.235 -8.260 1.00 0.00 H new ATOM 0 HA TYR A 91 0.267 -6.102 -10.145 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.892 -4.610 -10.410 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.270 -5.796 -11.540 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.194 -5.274 -12.437 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.451 -2.351 -10.828 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.438 -3.513 -13.603 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.202 -0.588 -11.990 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.819 -0.946 -13.201 1.00 0.00 H new ATOM 1474 N GLN A 92 1.651 -8.008 -9.333 1.00 0.00 N ATOM 1475 CA GLN A 92 2.316 -9.117 -8.691 1.00 0.00 C ATOM 1476 C GLN A 92 2.952 -10.051 -9.712 1.00 0.00 C ATOM 1477 O GLN A 92 2.289 -10.586 -10.597 1.00 0.00 O ATOM 1478 CB GLN A 92 1.339 -9.887 -7.774 1.00 0.00 C ATOM 1479 CG GLN A 92 0.239 -10.649 -8.515 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.735 -11.358 -7.590 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -1.025 -10.759 -6.451 1.00 0.00 O flip ATOM 1482 NE2 GLN A 92 -1.245 -12.425 -7.913 1.00 0.00 N flip ATOM 0 H GLN A 92 0.942 -8.273 -10.017 1.00 0.00 H new ATOM 0 HA GLN A 92 3.116 -8.710 -8.073 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.908 -10.593 -7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.874 -9.181 -7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.313 -9.952 -9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.699 -11.383 -9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.998 -12.860 -8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.917 -12.878 -7.293 1.00 0.00 H new