USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=19 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+ -170:sc= 1.14 (180deg=-0.172) USER MOD Set 1.2: A 50 SER OG : rot 75:sc= 2.03 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.07 K(o=-3.1,f=-4.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 100:sc= 1.25 USER MOD Single : A 35 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -148:sc= -0.565 (180deg=-1.61!) USER MOD Single : A 41 THR OG1 : rot 36:sc= 0.418 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0232 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= 1.19 (180deg=0.517) USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= -1.11! (180deg=-3.65!) USER MOD Single : A 51 TYR OH : rot 96:sc= 1.22 USER MOD Single : A 52 CYS SG : rot 61:sc= 1.14 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.671 F(o=-4!,f=-0.67) USER MOD Single : A 59 MET CE :methyl -144:sc= -5.95! (180deg=-11.1!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.174 F(o=-2.7!,f=-0.17) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 69 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.56) USER MOD Single : A 74 ASN : amide:sc= 1.07 K(o=1.1,f=-0.25) USER MOD Single : A 75 HIS : no HE2:sc= 0.911 K(o=0.91,f=-3.7!) USER MOD Single : A 76 THR OG1 : rot -160:sc= -0.113 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 151:sc= -0.662 (180deg=-3.8!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.514 K(o=0.51,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -7.548 6.679 9.606 1.00 0.00 N ATOM 312 CA ILE A 22 -8.567 6.299 8.674 1.00 0.00 C ATOM 313 C ILE A 22 -8.325 4.884 8.203 1.00 0.00 C ATOM 314 O ILE A 22 -7.194 4.397 8.202 1.00 0.00 O ATOM 315 CB ILE A 22 -8.605 7.223 7.450 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.234 7.292 6.794 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.095 8.611 7.840 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.305 7.484 5.310 1.00 0.00 C ATOM 0 HA ILE A 22 -9.523 6.377 9.192 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.308 6.811 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.667 8.112 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.687 6.374 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.115 9.251 6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.099 8.538 8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.423 9.039 8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.296 7.525 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.845 6.651 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.825 8.416 5.088 1.00 0.00 H new ATOM 330 N LYS A 23 -9.369 4.221 7.805 1.00 0.00 N ATOM 331 CA LYS A 23 -9.260 2.867 7.326 1.00 0.00 C ATOM 332 C LYS A 23 -9.351 2.864 5.825 1.00 0.00 C ATOM 333 O LYS A 23 -10.031 3.690 5.246 1.00 0.00 O ATOM 334 CB LYS A 23 -10.374 2.007 7.917 1.00 0.00 C ATOM 335 CG LYS A 23 -11.753 2.440 7.470 1.00 0.00 C ATOM 336 CD LYS A 23 -12.842 1.671 8.171 1.00 0.00 C ATOM 337 CE LYS A 23 -14.195 2.097 7.655 1.00 0.00 C ATOM 338 NZ LYS A 23 -15.302 1.497 8.433 1.00 0.00 N ATOM 0 H LYS A 23 -10.317 4.597 7.801 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.300 2.452 7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.214 0.968 7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.320 2.049 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.879 3.505 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.846 2.299 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.703 0.602 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.784 1.842 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.272 3.184 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.290 1.809 6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.212 1.816 8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.245 0.460 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.227 1.792 9.427 1.00 0.00 H new ATOM 352 N LEU A 24 -8.638 1.978 5.191 1.00 0.00 N ATOM 353 CA LEU A 24 -8.685 1.853 3.752 1.00 0.00 C ATOM 354 C LEU A 24 -8.591 0.391 3.358 1.00 0.00 C ATOM 355 O LEU A 24 -8.437 -0.493 4.222 1.00 0.00 O ATOM 356 CB LEU A 24 -7.563 2.651 3.067 1.00 0.00 C ATOM 357 CG LEU A 24 -7.384 4.098 3.514 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.473 4.177 4.724 1.00 0.00 C ATOM 359 CD2 LEU A 24 -6.840 4.935 2.382 1.00 0.00 C ATOM 0 H LEU A 24 -8.007 1.321 5.650 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.636 2.267 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.622 2.125 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.749 2.647 1.993 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.359 4.494 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.359 5.218 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.908 3.606 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.497 3.763 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.718 5.965 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.874 4.539 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.534 4.907 1.542 1.00 0.00 H new ATOM 371 N LYS A 25 -8.650 0.131 2.072 1.00 0.00 N ATOM 372 CA LYS A 25 -8.618 -1.216 1.559 1.00 0.00 C ATOM 373 C LYS A 25 -7.869 -1.251 0.245 1.00 0.00 C ATOM 374 O LYS A 25 -8.016 -0.370 -0.592 1.00 0.00 O ATOM 375 CB LYS A 25 -10.041 -1.739 1.374 1.00 0.00 C ATOM 376 CG LYS A 25 -10.138 -3.086 0.660 1.00 0.00 C ATOM 377 CD LYS A 25 -10.869 -2.960 -0.669 1.00 0.00 C ATOM 378 CE LYS A 25 -12.273 -2.406 -0.469 1.00 0.00 C ATOM 379 NZ LYS A 25 -13.054 -2.329 -1.733 1.00 0.00 N ATOM 0 H LYS A 25 -8.722 0.850 1.352 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.101 -1.857 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.511 -1.828 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.614 -1.002 0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.137 -3.482 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.659 -3.800 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.308 -2.306 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.925 -3.936 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.807 -3.034 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.206 -1.411 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.000 -1.945 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.563 -1.708 -2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.146 -3.280 -2.143 1.00 0.00 H new ATOM 393 N VAL A 26 -7.069 -2.264 0.055 1.00 0.00 N ATOM 394 CA VAL A 26 -6.286 -2.386 -1.160 1.00 0.00 C ATOM 395 C VAL A 26 -6.324 -3.819 -1.649 1.00 0.00 C ATOM 396 O VAL A 26 -6.317 -4.759 -0.848 1.00 0.00 O ATOM 397 CB VAL A 26 -4.806 -1.919 -0.972 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.736 -0.641 -0.165 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.967 -2.984 -0.322 1.00 0.00 C ATOM 0 H VAL A 26 -6.937 -3.023 0.724 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.733 -1.726 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.403 -1.728 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.695 -0.340 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.286 0.146 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.176 -0.807 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.945 -2.623 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.379 -3.224 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.968 -3.879 -0.945 1.00 0.00 H new ATOM 409 N ILE A 27 -6.413 -3.999 -2.948 1.00 0.00 N ATOM 410 CA ILE A 27 -6.479 -5.323 -3.529 1.00 0.00 C ATOM 411 C ILE A 27 -5.359 -5.520 -4.519 1.00 0.00 C ATOM 412 O ILE A 27 -5.040 -4.624 -5.304 1.00 0.00 O ATOM 413 CB ILE A 27 -7.820 -5.529 -4.254 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.964 -5.169 -3.325 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.961 -6.973 -4.731 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.254 -4.856 -4.038 1.00 0.00 C ATOM 0 H ILE A 27 -6.442 -3.239 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.386 -6.047 -2.720 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.849 -4.878 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.133 -5.996 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.674 -4.307 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.916 -7.096 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.149 -7.210 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.918 -7.645 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.023 -4.608 -3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.104 -4.009 -4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.570 -5.724 -4.617 1.00 0.00 H new ATOM 428 N GLY A 28 -4.753 -6.676 -4.487 1.00 0.00 N ATOM 429 CA GLY A 28 -3.702 -6.963 -5.414 1.00 0.00 C ATOM 430 C GLY A 28 -4.084 -8.045 -6.379 1.00 0.00 C ATOM 431 O GLY A 28 -5.098 -8.725 -6.198 1.00 0.00 O ATOM 0 H GLY A 28 -4.970 -7.427 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.448 -6.058 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.808 -7.264 -4.867 1.00 0.00 H new ATOM 435 N GLN A 29 -3.264 -8.237 -7.402 1.00 0.00 N ATOM 436 CA GLN A 29 -3.506 -9.256 -8.429 1.00 0.00 C ATOM 437 C GLN A 29 -3.398 -10.673 -7.851 1.00 0.00 C ATOM 438 O GLN A 29 -3.608 -11.667 -8.546 1.00 0.00 O ATOM 439 CB GLN A 29 -2.524 -9.079 -9.597 1.00 0.00 C ATOM 440 CG GLN A 29 -1.087 -9.535 -9.326 1.00 0.00 C ATOM 441 CD GLN A 29 -0.420 -8.813 -8.164 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.128 -7.737 -8.323 1.00 0.00 O ATOM 443 NE2 GLN A 29 -0.428 -9.429 -7.004 1.00 0.00 N ATOM 0 H GLN A 29 -2.412 -7.695 -7.549 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.523 -9.124 -8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.906 -9.631 -10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.506 -8.026 -9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.088 -10.606 -9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.492 -9.382 -10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.897 -10.330 -6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.035 -9.007 -6.199 1.00 0.00 H new ATOM 452 N ASP A 30 -3.068 -10.753 -6.571 1.00 0.00 N ATOM 453 CA ASP A 30 -2.948 -12.019 -5.864 1.00 0.00 C ATOM 454 C ASP A 30 -4.330 -12.462 -5.382 1.00 0.00 C ATOM 455 O ASP A 30 -4.487 -13.518 -4.768 1.00 0.00 O ATOM 456 CB ASP A 30 -1.993 -11.844 -4.665 1.00 0.00 C ATOM 457 CG ASP A 30 -1.707 -13.136 -3.918 1.00 0.00 C ATOM 458 OD1 ASP A 30 -0.860 -13.924 -4.388 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.312 -13.359 -2.847 1.00 0.00 O ATOM 0 H ASP A 30 -2.875 -9.937 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.545 -12.781 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.052 -11.424 -5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.423 -11.121 -3.972 1.00 0.00 H new ATOM 464 N SER A 31 -5.344 -11.626 -5.681 1.00 0.00 N ATOM 465 CA SER A 31 -6.733 -11.860 -5.262 1.00 0.00 C ATOM 466 C SER A 31 -6.859 -11.726 -3.753 1.00 0.00 C ATOM 467 O SER A 31 -7.841 -12.150 -3.146 1.00 0.00 O ATOM 468 CB SER A 31 -7.227 -13.232 -5.738 1.00 0.00 C ATOM 469 OG SER A 31 -7.057 -13.372 -7.145 1.00 0.00 O ATOM 0 H SER A 31 -5.219 -10.770 -6.221 1.00 0.00 H new ATOM 0 HA SER A 31 -7.365 -11.103 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.679 -14.020 -5.221 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.279 -13.354 -5.481 1.00 0.00 H new ATOM 0 HG SER A 31 -7.377 -14.254 -7.427 1.00 0.00 H new ATOM 475 N SER A 32 -5.865 -11.110 -3.154 1.00 0.00 N ATOM 476 CA SER A 32 -5.841 -10.896 -1.738 1.00 0.00 C ATOM 477 C SER A 32 -5.919 -9.411 -1.454 1.00 0.00 C ATOM 478 O SER A 32 -5.266 -8.611 -2.115 1.00 0.00 O ATOM 479 CB SER A 32 -4.562 -11.484 -1.145 1.00 0.00 C ATOM 480 OG SER A 32 -4.471 -12.878 -1.407 1.00 0.00 O ATOM 0 H SER A 32 -5.049 -10.744 -3.645 1.00 0.00 H new ATOM 0 HA SER A 32 -6.696 -11.392 -1.279 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.695 -10.974 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.543 -11.311 -0.069 1.00 0.00 H new ATOM 0 HG SER A 32 -3.874 -13.029 -2.169 1.00 0.00 H new ATOM 486 N GLU A 33 -6.755 -9.039 -0.532 1.00 0.00 N ATOM 487 CA GLU A 33 -6.901 -7.652 -0.145 1.00 0.00 C ATOM 488 C GLU A 33 -6.549 -7.463 1.319 1.00 0.00 C ATOM 489 O GLU A 33 -6.506 -8.421 2.088 1.00 0.00 O ATOM 490 CB GLU A 33 -8.339 -7.163 -0.400 1.00 0.00 C ATOM 491 CG GLU A 33 -9.399 -7.810 0.488 1.00 0.00 C ATOM 492 CD GLU A 33 -9.729 -9.232 0.087 1.00 0.00 C ATOM 493 OE1 GLU A 33 -8.984 -10.159 0.471 1.00 0.00 O ATOM 494 OE2 GLU A 33 -10.739 -9.432 -0.615 1.00 0.00 O ATOM 0 H GLU A 33 -7.360 -9.683 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.215 -7.062 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.372 -6.083 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.593 -7.352 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.052 -7.802 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.308 -7.210 0.453 1.00 0.00 H new ATOM 501 N ILE A 34 -6.302 -6.233 1.708 1.00 0.00 N ATOM 502 CA ILE A 34 -6.006 -5.931 3.087 1.00 0.00 C ATOM 503 C ILE A 34 -6.720 -4.658 3.537 1.00 0.00 C ATOM 504 O ILE A 34 -6.861 -3.693 2.767 1.00 0.00 O ATOM 505 CB ILE A 34 -4.481 -5.813 3.364 1.00 0.00 C ATOM 506 CG1 ILE A 34 -4.244 -5.632 4.858 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.882 -4.657 2.594 1.00 0.00 C ATOM 508 CD1 ILE A 34 -2.846 -5.937 5.296 1.00 0.00 C ATOM 0 H ILE A 34 -6.301 -5.425 1.086 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.378 -6.774 3.669 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.993 -6.729 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.483 -4.604 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.933 -6.275 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.814 -4.594 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.033 -4.814 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.366 -3.728 2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.760 -5.784 6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.608 -6.973 5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.150 -5.276 4.779 1.00 0.00 H new ATOM 520 N HIS A 35 -7.220 -4.677 4.760 1.00 0.00 N ATOM 521 CA HIS A 35 -7.855 -3.515 5.364 1.00 0.00 C ATOM 522 C HIS A 35 -6.951 -3.003 6.462 1.00 0.00 C ATOM 523 O HIS A 35 -6.513 -3.771 7.323 1.00 0.00 O ATOM 524 CB HIS A 35 -9.222 -3.866 5.975 1.00 0.00 C ATOM 525 CG HIS A 35 -10.259 -4.380 5.009 1.00 0.00 C ATOM 526 ND1 HIS A 35 -11.558 -4.639 5.382 1.00 0.00 N ATOM 527 CD2 HIS A 35 -10.187 -4.683 3.691 1.00 0.00 C ATOM 528 CE1 HIS A 35 -12.237 -5.081 4.345 1.00 0.00 C ATOM 529 NE2 HIS A 35 -11.430 -5.116 3.306 1.00 0.00 N ATOM 0 H HIS A 35 -7.198 -5.498 5.364 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.014 -2.764 4.590 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.070 -4.617 6.750 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.619 -2.977 6.466 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.314 -4.599 3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.279 -5.366 4.346 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.688 -5.417 2.366 1.00 0.00 H new ATOM 538 N PHE A 36 -6.666 -1.728 6.456 1.00 0.00 N ATOM 539 CA PHE A 36 -5.761 -1.165 7.450 1.00 0.00 C ATOM 540 C PHE A 36 -6.211 0.197 7.917 1.00 0.00 C ATOM 541 O PHE A 36 -6.947 0.898 7.222 1.00 0.00 O ATOM 542 CB PHE A 36 -4.322 -1.084 6.907 1.00 0.00 C ATOM 543 CG PHE A 36 -4.225 -0.531 5.518 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.304 0.831 5.282 1.00 0.00 C ATOM 545 CD2 PHE A 36 -4.052 -1.382 4.449 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.211 1.327 4.003 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.959 -0.893 3.171 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.040 0.464 2.945 1.00 0.00 C ATOM 0 H PHE A 36 -7.038 -1.056 5.785 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.779 -1.838 8.307 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.726 -0.463 7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.882 -2.081 6.921 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.440 1.510 6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.989 -2.447 4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.272 2.391 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.822 -1.571 2.342 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.969 0.850 1.939 1.00 0.00 H new ATOM 584 N VAL A 38 -4.601 3.620 8.898 1.00 0.00 N ATOM 585 CA VAL A 38 -3.398 4.436 8.899 1.00 0.00 C ATOM 586 C VAL A 38 -3.710 5.858 9.321 1.00 0.00 C ATOM 587 O VAL A 38 -4.854 6.203 9.580 1.00 0.00 O ATOM 588 CB VAL A 38 -2.691 4.447 7.521 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.207 3.057 7.155 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.606 5.003 6.441 1.00 0.00 C ATOM 0 HA VAL A 38 -2.718 3.983 9.621 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.823 5.102 7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.714 3.088 6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.502 2.707 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.057 2.376 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.084 4.999 5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.501 4.385 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.890 6.024 6.695 1.00 0.00 H new ATOM 600 N LYS A 39 -2.698 6.685 9.371 1.00 0.00 N ATOM 601 CA LYS A 39 -2.855 8.055 9.810 1.00 0.00 C ATOM 602 C LYS A 39 -3.151 8.959 8.622 1.00 0.00 C ATOM 603 O LYS A 39 -2.891 8.591 7.473 1.00 0.00 O ATOM 604 CB LYS A 39 -1.576 8.514 10.514 1.00 0.00 C ATOM 605 CG LYS A 39 -1.085 7.529 11.564 1.00 0.00 C ATOM 606 CD LYS A 39 0.273 7.917 12.120 1.00 0.00 C ATOM 607 CE LYS A 39 0.806 6.836 13.051 1.00 0.00 C ATOM 608 NZ LYS A 39 2.122 7.197 13.632 1.00 0.00 N ATOM 0 H LYS A 39 -1.744 6.433 9.111 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.692 8.114 10.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.793 8.663 9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.755 9.480 10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.808 7.477 12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.026 6.533 11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.974 8.076 11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.194 8.861 12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.090 6.666 13.855 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.898 5.899 12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.446 6.433 14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.813 7.334 12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.031 8.077 14.178 1.00 0.00 H new ATOM 622 N MET A 40 -3.709 10.141 8.895 1.00 0.00 N ATOM 623 CA MET A 40 -4.003 11.128 7.851 1.00 0.00 C ATOM 624 C MET A 40 -2.737 11.440 7.075 1.00 0.00 C ATOM 625 O MET A 40 -2.742 11.575 5.851 1.00 0.00 O ATOM 626 CB MET A 40 -4.561 12.408 8.483 1.00 0.00 C ATOM 627 CG MET A 40 -4.932 13.515 7.493 1.00 0.00 C ATOM 628 SD MET A 40 -6.433 13.167 6.534 1.00 0.00 S ATOM 629 CE MET A 40 -5.775 12.268 5.125 1.00 0.00 C ATOM 0 H MET A 40 -3.968 10.440 9.835 1.00 0.00 H new ATOM 0 HA MET A 40 -4.749 10.719 7.169 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.446 12.151 9.065 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.823 12.800 9.183 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.070 14.448 8.040 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.100 13.669 6.805 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.383 12.477 4.244 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.748 12.583 4.940 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.795 11.198 5.334 1.00 0.00 H new ATOM 639 N THR A 41 -1.653 11.561 7.796 1.00 0.00 N ATOM 640 CA THR A 41 -0.381 11.789 7.187 1.00 0.00 C ATOM 641 C THR A 41 0.618 10.747 7.661 1.00 0.00 C ATOM 642 O THR A 41 0.920 10.650 8.852 1.00 0.00 O ATOM 643 CB THR A 41 0.117 13.206 7.512 1.00 0.00 C ATOM 644 OG1 THR A 41 0.170 13.384 8.939 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.835 14.235 6.919 1.00 0.00 C ATOM 0 H THR A 41 -1.633 11.504 8.814 1.00 0.00 H new ATOM 0 HA THR A 41 -0.485 11.702 6.105 1.00 0.00 H new ATOM 0 HB THR A 41 1.112 13.339 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.447 12.545 9.363 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.478 15.238 7.152 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.880 14.108 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.830 14.097 7.342 1.00 0.00 H new ATOM 653 N THR A 42 1.119 9.957 6.727 1.00 0.00 N ATOM 654 CA THR A 42 2.071 8.913 7.027 1.00 0.00 C ATOM 655 C THR A 42 2.583 8.310 5.723 1.00 0.00 C ATOM 656 O THR A 42 2.076 8.625 4.641 1.00 0.00 O ATOM 657 CB THR A 42 1.427 7.801 7.910 1.00 0.00 C ATOM 658 OG1 THR A 42 2.433 6.916 8.427 1.00 0.00 O ATOM 659 CG2 THR A 42 0.409 6.993 7.110 1.00 0.00 C ATOM 0 H THR A 42 0.874 10.025 5.739 1.00 0.00 H new ATOM 0 HA THR A 42 2.900 9.347 7.586 1.00 0.00 H new ATOM 0 HB THR A 42 0.920 8.292 8.740 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.009 6.226 8.980 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.027 6.223 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.379 7.655 6.750 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.904 6.523 6.260 1.00 0.00 H new ATOM 667 N HIS A 43 3.568 7.444 5.811 1.00 0.00 N ATOM 668 CA HIS A 43 4.103 6.787 4.637 1.00 0.00 C ATOM 669 C HIS A 43 3.363 5.489 4.384 1.00 0.00 C ATOM 670 O HIS A 43 3.272 4.630 5.262 1.00 0.00 O ATOM 671 CB HIS A 43 5.594 6.511 4.798 1.00 0.00 C ATOM 672 CG HIS A 43 6.420 7.747 4.932 1.00 0.00 C ATOM 673 ND1 HIS A 43 7.310 7.949 5.959 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.492 8.851 4.153 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.893 9.121 5.810 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.414 9.689 4.721 1.00 0.00 N ATOM 0 H HIS A 43 4.017 7.177 6.687 1.00 0.00 H new ATOM 0 HA HIS A 43 3.966 7.451 3.784 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.746 5.885 5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.944 5.941 3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.927 9.037 3.251 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.637 9.545 6.468 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.686 10.604 4.360 1.00 0.00 H new ATOM 685 N LEU A 44 2.836 5.333 3.176 1.00 0.00 N ATOM 686 CA LEU A 44 2.079 4.127 2.807 1.00 0.00 C ATOM 687 C LEU A 44 2.939 2.859 2.860 1.00 0.00 C ATOM 688 O LEU A 44 2.428 1.739 2.766 1.00 0.00 O ATOM 689 CB LEU A 44 1.443 4.283 1.426 1.00 0.00 C ATOM 690 CG LEU A 44 0.447 5.439 1.283 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.268 5.366 -0.050 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.555 5.448 2.430 1.00 0.00 C ATOM 0 H LEU A 44 2.915 6.023 2.429 1.00 0.00 H new ATOM 0 HA LEU A 44 1.288 4.013 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.238 4.419 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.932 3.354 1.174 1.00 0.00 H new ATOM 0 HG LEU A 44 1.009 6.372 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.971 6.195 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.461 5.427 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.810 4.423 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.248 6.279 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.110 4.510 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.025 5.561 3.376 1.00 0.00 H new ATOM 704 N LYS A 45 4.243 3.030 3.008 1.00 0.00 N ATOM 705 CA LYS A 45 5.154 1.905 3.120 1.00 0.00 C ATOM 706 C LYS A 45 4.742 1.016 4.303 1.00 0.00 C ATOM 707 O LYS A 45 4.935 -0.197 4.288 1.00 0.00 O ATOM 708 CB LYS A 45 6.592 2.424 3.285 1.00 0.00 C ATOM 709 CG LYS A 45 7.682 1.367 3.125 1.00 0.00 C ATOM 710 CD LYS A 45 7.970 0.623 4.421 1.00 0.00 C ATOM 711 CE LYS A 45 8.477 1.560 5.509 1.00 0.00 C ATOM 712 NZ LYS A 45 8.797 0.839 6.763 1.00 0.00 N ATOM 0 H LYS A 45 4.695 3.943 3.053 1.00 0.00 H new ATOM 0 HA LYS A 45 5.109 1.301 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.763 3.214 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.688 2.877 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.380 0.652 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.597 1.844 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.063 0.125 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.711 -0.155 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.367 2.080 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.723 2.321 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.367 1.452 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.915 0.581 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.334 -0.023 6.540 1.00 0.00 H new ATOM 726 N LYS A 46 4.129 1.633 5.312 1.00 0.00 N ATOM 727 CA LYS A 46 3.648 0.931 6.476 1.00 0.00 C ATOM 728 C LYS A 46 2.631 -0.145 6.086 1.00 0.00 C ATOM 729 O LYS A 46 2.695 -1.288 6.559 1.00 0.00 O ATOM 730 CB LYS A 46 3.025 1.943 7.446 1.00 0.00 C ATOM 731 CG LYS A 46 2.277 1.323 8.607 1.00 0.00 C ATOM 732 CD LYS A 46 0.801 1.122 8.292 1.00 0.00 C ATOM 733 CE LYS A 46 0.050 0.573 9.488 1.00 0.00 C ATOM 734 NZ LYS A 46 0.575 -0.750 9.929 1.00 0.00 N ATOM 0 H LYS A 46 3.957 2.638 5.335 1.00 0.00 H new ATOM 0 HA LYS A 46 4.483 0.428 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.815 2.583 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.341 2.585 6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.728 0.363 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.377 1.961 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.360 2.071 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.697 0.438 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.119 1.282 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.006 0.477 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.070 -1.162 10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.645 -1.387 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.517 -0.626 10.352 1.00 0.00 H new ATOM 748 N LEU A 47 1.686 0.215 5.227 1.00 0.00 N ATOM 749 CA LEU A 47 0.661 -0.721 4.793 1.00 0.00 C ATOM 750 C LEU A 47 1.270 -1.806 3.926 1.00 0.00 C ATOM 751 O LEU A 47 0.788 -2.931 3.908 1.00 0.00 O ATOM 752 CB LEU A 47 -0.482 -0.002 4.065 1.00 0.00 C ATOM 753 CG LEU A 47 -0.204 0.463 2.639 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.615 -0.594 1.627 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.908 1.762 2.372 1.00 0.00 C ATOM 0 H LEU A 47 1.609 1.147 4.819 1.00 0.00 H new ATOM 0 HA LEU A 47 0.233 -1.191 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.344 -0.669 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.768 0.868 4.656 1.00 0.00 H new ATOM 0 HG LEU A 47 0.869 0.620 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.405 -0.234 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.054 -1.510 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.682 -0.796 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.702 2.084 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.982 1.627 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.552 2.519 3.070 1.00 0.00 H new ATOM 767 N LYS A 48 2.344 -1.469 3.196 1.00 0.00 N ATOM 768 CA LYS A 48 3.058 -2.473 2.403 1.00 0.00 C ATOM 769 C LYS A 48 3.530 -3.593 3.308 1.00 0.00 C ATOM 770 O LYS A 48 3.297 -4.774 3.039 1.00 0.00 O ATOM 771 CB LYS A 48 4.270 -1.877 1.687 1.00 0.00 C ATOM 772 CG LYS A 48 4.002 -1.362 0.287 1.00 0.00 C ATOM 773 CD LYS A 48 3.279 -0.031 0.287 1.00 0.00 C ATOM 774 CE LYS A 48 3.260 0.567 -1.110 1.00 0.00 C ATOM 775 NZ LYS A 48 4.554 0.340 -1.821 1.00 0.00 N ATOM 0 H LYS A 48 2.729 -0.526 3.140 1.00 0.00 H new ATOM 0 HA LYS A 48 2.365 -2.850 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.662 -1.058 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.051 -2.636 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.947 -1.258 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.407 -2.095 -0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.258 -0.165 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.770 0.656 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.446 0.126 -1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.062 1.637 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.793 1.181 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.307 0.165 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.465 -0.484 -2.449 1.00 0.00 H new ATOM 789 N GLU A 49 4.196 -3.217 4.392 1.00 0.00 N ATOM 790 CA GLU A 49 4.676 -4.173 5.375 1.00 0.00 C ATOM 791 C GLU A 49 3.525 -4.972 5.916 1.00 0.00 C ATOM 792 O GLU A 49 3.557 -6.193 5.935 1.00 0.00 O ATOM 793 CB GLU A 49 5.362 -3.445 6.516 1.00 0.00 C ATOM 794 CG GLU A 49 6.422 -2.484 6.051 1.00 0.00 C ATOM 795 CD GLU A 49 7.156 -1.822 7.191 1.00 0.00 C ATOM 796 OE1 GLU A 49 8.133 -2.409 7.687 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.767 -0.700 7.588 1.00 0.00 O ATOM 0 H GLU A 49 4.417 -2.246 4.612 1.00 0.00 H new ATOM 0 HA GLU A 49 5.389 -4.843 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.615 -2.901 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.812 -4.176 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.138 -3.016 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.962 -1.717 5.428 1.00 0.00 H new ATOM 804 N SER A 50 2.487 -4.271 6.328 1.00 0.00 N ATOM 805 CA SER A 50 1.297 -4.895 6.885 1.00 0.00 C ATOM 806 C SER A 50 0.707 -5.912 5.895 1.00 0.00 C ATOM 807 O SER A 50 0.187 -6.951 6.285 1.00 0.00 O ATOM 808 CB SER A 50 0.259 -3.818 7.217 1.00 0.00 C ATOM 809 OG SER A 50 0.854 -2.727 7.928 1.00 0.00 O ATOM 0 H SER A 50 2.442 -3.253 6.287 1.00 0.00 H new ATOM 0 HA SER A 50 1.571 -5.425 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.195 -3.451 6.297 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.541 -4.253 7.816 1.00 0.00 H new ATOM 0 HG SER A 50 1.380 -2.180 7.308 1.00 0.00 H new ATOM 815 N TYR A 51 0.829 -5.617 4.612 1.00 0.00 N ATOM 816 CA TYR A 51 0.303 -6.478 3.561 1.00 0.00 C ATOM 817 C TYR A 51 1.180 -7.728 3.437 1.00 0.00 C ATOM 818 O TYR A 51 0.689 -8.856 3.438 1.00 0.00 O ATOM 819 CB TYR A 51 0.278 -5.704 2.234 1.00 0.00 C ATOM 820 CG TYR A 51 -0.599 -6.284 1.131 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.503 -7.612 0.744 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.497 -5.477 0.452 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.284 -8.113 -0.285 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.265 -5.971 -0.586 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.153 -7.283 -0.943 1.00 0.00 C ATOM 826 OH TYR A 51 -2.897 -7.763 -1.982 1.00 0.00 O ATOM 0 H TYR A 51 1.294 -4.777 4.268 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.713 -6.787 3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.056 -4.687 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.299 -5.635 1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.191 -8.265 1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.599 -4.441 0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.208 -9.153 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.950 -5.322 -1.111 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.785 -8.019 -1.657 1.00 0.00 H new ATOM 836 N CYS A 52 2.479 -7.518 3.346 1.00 0.00 N ATOM 837 CA CYS A 52 3.437 -8.613 3.229 1.00 0.00 C ATOM 838 C CYS A 52 3.411 -9.498 4.479 1.00 0.00 C ATOM 839 O CYS A 52 3.551 -10.715 4.404 1.00 0.00 O ATOM 840 CB CYS A 52 4.848 -8.056 2.994 1.00 0.00 C ATOM 841 SG CYS A 52 6.096 -9.307 2.629 1.00 0.00 S ATOM 0 H CYS A 52 2.904 -6.591 3.351 1.00 0.00 H new ATOM 0 HA CYS A 52 3.154 -9.228 2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.811 -7.346 2.168 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.157 -7.500 3.879 1.00 0.00 H new ATOM 0 HG CYS A 52 5.771 -9.939 1.540 1.00 0.00 H new ATOM 847 N GLN A 53 3.217 -8.878 5.624 1.00 0.00 N ATOM 848 CA GLN A 53 3.170 -9.588 6.899 1.00 0.00 C ATOM 849 C GLN A 53 1.868 -10.374 7.057 1.00 0.00 C ATOM 850 O GLN A 53 1.830 -11.415 7.706 1.00 0.00 O ATOM 851 CB GLN A 53 3.337 -8.603 8.057 1.00 0.00 C ATOM 852 CG GLN A 53 4.693 -7.912 8.084 1.00 0.00 C ATOM 853 CD GLN A 53 5.791 -8.792 8.644 1.00 0.00 C ATOM 854 OE1 GLN A 53 6.042 -8.800 9.848 1.00 0.00 O ATOM 855 NE2 GLN A 53 6.459 -9.529 7.779 1.00 0.00 N ATOM 0 H GLN A 53 3.087 -7.870 5.704 1.00 0.00 H new ATOM 0 HA GLN A 53 3.993 -10.302 6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.555 -7.846 7.994 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.191 -9.134 8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.960 -7.606 7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.621 -7.004 8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.220 -9.494 6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.215 -10.134 8.101 1.00 0.00 H new ATOM 864 N ARG A 54 0.793 -9.868 6.473 1.00 0.00 N ATOM 865 CA ARG A 54 -0.509 -10.500 6.602 1.00 0.00 C ATOM 866 C ARG A 54 -0.726 -11.554 5.516 1.00 0.00 C ATOM 867 O ARG A 54 -1.042 -12.707 5.802 1.00 0.00 O ATOM 868 CB ARG A 54 -1.605 -9.436 6.524 1.00 0.00 C ATOM 869 CG ARG A 54 -2.973 -9.901 6.985 1.00 0.00 C ATOM 870 CD ARG A 54 -2.955 -10.277 8.457 1.00 0.00 C ATOM 871 NE ARG A 54 -4.298 -10.494 8.988 1.00 0.00 N ATOM 872 CZ ARG A 54 -4.596 -11.359 9.959 1.00 0.00 C ATOM 873 NH1 ARG A 54 -3.654 -12.151 10.466 1.00 0.00 N ATOM 874 NH2 ARG A 54 -5.841 -11.440 10.417 1.00 0.00 N ATOM 0 H ARG A 54 0.797 -9.021 5.905 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.552 -11.002 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.305 -8.580 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.682 -9.088 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.705 -9.111 6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.288 -10.759 6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.362 -11.182 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.465 -9.487 9.026 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.061 -9.947 8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.699 -12.098 10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.887 -12.810 11.208 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.568 -10.841 10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.069 -12.101 11.159 1.00 0.00 H new ATOM 888 N GLN A 55 -0.530 -11.163 4.268 1.00 0.00 N ATOM 889 CA GLN A 55 -0.771 -12.054 3.137 1.00 0.00 C ATOM 890 C GLN A 55 0.439 -12.917 2.822 1.00 0.00 C ATOM 891 O GLN A 55 0.335 -13.902 2.094 1.00 0.00 O ATOM 892 CB GLN A 55 -1.183 -11.255 1.895 1.00 0.00 C ATOM 893 CG GLN A 55 -2.645 -10.808 1.891 1.00 0.00 C ATOM 894 CD GLN A 55 -2.969 -9.741 2.928 1.00 0.00 C ATOM 895 OE1 GLN A 55 -2.036 -8.843 3.186 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -4.061 -9.712 3.471 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.204 -10.232 4.008 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.587 -12.718 3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.546 -10.374 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.998 -11.862 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.895 -10.426 0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.280 -11.676 2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.760 -10.421 3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.275 -8.979 4.147 1.00 0.00 H new ATOM 905 N GLY A 56 1.587 -12.554 3.374 1.00 0.00 N ATOM 906 CA GLY A 56 2.804 -13.315 3.148 1.00 0.00 C ATOM 907 C GLY A 56 3.180 -13.404 1.680 1.00 0.00 C ATOM 908 O GLY A 56 3.503 -14.475 1.171 1.00 0.00 O ATOM 0 H GLY A 56 1.700 -11.741 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.623 -12.854 3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.677 -14.321 3.547 1.00 0.00 H new ATOM 912 N VAL A 57 3.123 -12.280 0.992 1.00 0.00 N ATOM 913 CA VAL A 57 3.464 -12.221 -0.422 1.00 0.00 C ATOM 914 C VAL A 57 4.525 -11.149 -0.670 1.00 0.00 C ATOM 915 O VAL A 57 4.676 -10.229 0.135 1.00 0.00 O ATOM 916 CB VAL A 57 2.212 -11.937 -1.294 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.305 -13.155 -1.335 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.451 -10.736 -0.763 1.00 0.00 C ATOM 0 H VAL A 57 2.841 -11.385 1.392 1.00 0.00 H new ATOM 0 HA VAL A 57 3.864 -13.194 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 57 2.546 -11.715 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.432 -12.938 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.848 -13.999 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.983 -13.403 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.577 -10.554 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.131 -10.932 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.098 -9.859 -0.779 1.00 0.00 H new ATOM 928 N PRO A 58 5.295 -11.270 -1.770 1.00 0.00 N ATOM 929 CA PRO A 58 6.350 -10.305 -2.108 1.00 0.00 C ATOM 930 C PRO A 58 5.790 -8.931 -2.468 1.00 0.00 C ATOM 931 O PRO A 58 5.250 -8.730 -3.544 1.00 0.00 O ATOM 932 CB PRO A 58 7.036 -10.932 -3.322 1.00 0.00 C ATOM 933 CG PRO A 58 6.010 -11.831 -3.917 1.00 0.00 C ATOM 934 CD PRO A 58 5.210 -12.357 -2.764 1.00 0.00 C ATOM 0 HA PRO A 58 7.020 -10.129 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.355 -10.170 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.927 -11.488 -3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.375 -11.290 -4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.477 -12.644 -4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.178 -12.561 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.624 -13.289 -2.378 1.00 0.00 H new ATOM 942 N MET A 59 5.923 -7.989 -1.558 1.00 0.00 N ATOM 943 CA MET A 59 5.423 -6.634 -1.758 1.00 0.00 C ATOM 944 C MET A 59 6.296 -5.843 -2.721 1.00 0.00 C ATOM 945 O MET A 59 5.951 -4.738 -3.118 1.00 0.00 O ATOM 946 CB MET A 59 5.293 -5.905 -0.422 1.00 0.00 C ATOM 947 CG MET A 59 3.850 -5.724 0.069 1.00 0.00 C ATOM 948 SD MET A 59 2.912 -7.265 0.209 1.00 0.00 S ATOM 949 CE MET A 59 2.252 -7.446 -1.446 1.00 0.00 C ATOM 0 H MET A 59 6.380 -8.135 -0.658 1.00 0.00 H new ATOM 0 HA MET A 59 4.434 -6.715 -2.209 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.854 -6.456 0.333 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.758 -4.923 -0.512 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.869 -5.234 1.042 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.327 -5.055 -0.615 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.251 -7.875 -1.394 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.203 -6.469 -1.927 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.899 -8.104 -2.026 1.00 0.00 H new ATOM 959 N ASN A 60 7.441 -6.398 -3.081 1.00 0.00 N ATOM 960 CA ASN A 60 8.362 -5.722 -3.989 1.00 0.00 C ATOM 961 C ASN A 60 8.054 -6.057 -5.449 1.00 0.00 C ATOM 962 O ASN A 60 8.115 -5.186 -6.317 1.00 0.00 O ATOM 963 CB ASN A 60 9.822 -6.075 -3.666 1.00 0.00 C ATOM 964 CG ASN A 60 10.313 -5.514 -2.332 1.00 0.00 C ATOM 965 OD1 ASN A 60 9.423 -5.399 -1.362 1.00 0.00 O flip ATOM 966 ND2 ASN A 60 11.494 -5.191 -2.182 1.00 0.00 N flip ATOM 0 H ASN A 60 7.758 -7.313 -2.761 1.00 0.00 H new ATOM 0 HA ASN A 60 8.224 -4.650 -3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.930 -7.160 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.462 -5.700 -4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.153 -5.294 -2.954 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.812 -4.821 -1.286 1.00 0.00 H new ATOM 973 N SER A 61 7.763 -7.335 -5.726 1.00 0.00 N ATOM 974 CA SER A 61 7.410 -7.792 -7.079 1.00 0.00 C ATOM 975 C SER A 61 6.292 -6.937 -7.696 1.00 0.00 C ATOM 976 O SER A 61 6.256 -6.701 -8.903 1.00 0.00 O ATOM 977 CB SER A 61 6.987 -9.264 -7.045 1.00 0.00 C ATOM 978 OG SER A 61 7.989 -10.070 -6.445 1.00 0.00 O ATOM 0 H SER A 61 7.765 -8.077 -5.026 1.00 0.00 H new ATOM 0 HA SER A 61 8.295 -7.683 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.054 -9.365 -6.490 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.794 -9.614 -8.059 1.00 0.00 H new ATOM 0 HG SER A 61 7.694 -11.004 -6.434 1.00 0.00 H new ATOM 984 N LEU A 62 5.382 -6.477 -6.879 1.00 0.00 N ATOM 985 CA LEU A 62 4.296 -5.655 -7.355 1.00 0.00 C ATOM 986 C LEU A 62 4.377 -4.248 -6.779 1.00 0.00 C ATOM 987 O LEU A 62 5.146 -3.986 -5.861 1.00 0.00 O ATOM 988 CB LEU A 62 2.906 -6.302 -7.079 1.00 0.00 C ATOM 989 CG LEU A 62 2.679 -7.039 -5.744 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.298 -8.425 -5.770 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.191 -6.230 -4.562 1.00 0.00 C ATOM 0 H LEU A 62 5.370 -6.658 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 62 4.402 -5.581 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.156 -5.515 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.706 -7.009 -7.884 1.00 0.00 H new ATOM 0 HG LEU A 62 1.603 -7.156 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.122 -8.920 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.846 -9.010 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.371 -8.341 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.013 -6.782 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.260 -6.052 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.667 -5.275 -4.520 1.00 0.00 H new ATOM 1003 N ARG A 63 3.596 -3.342 -7.320 1.00 0.00 N ATOM 1004 CA ARG A 63 3.582 -1.980 -6.832 1.00 0.00 C ATOM 1005 C ARG A 63 2.172 -1.547 -6.502 1.00 0.00 C ATOM 1006 O ARG A 63 1.208 -2.206 -6.875 1.00 0.00 O ATOM 1007 CB ARG A 63 4.242 -0.994 -7.814 1.00 0.00 C ATOM 1008 CG ARG A 63 3.604 -0.905 -9.198 1.00 0.00 C ATOM 1009 CD ARG A 63 4.045 -2.039 -10.099 1.00 0.00 C ATOM 1010 NE ARG A 63 3.816 -1.718 -11.506 1.00 0.00 N ATOM 1011 CZ ARG A 63 4.788 -1.432 -12.382 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.068 -1.502 -12.015 1.00 0.00 N ATOM 1013 NH2 ARG A 63 4.480 -1.100 -13.624 1.00 0.00 N ATOM 0 H ARG A 63 2.962 -3.522 -8.098 1.00 0.00 H new ATOM 0 HA ARG A 63 4.178 -1.962 -5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.230 -0.001 -7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.288 -1.276 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.519 -0.922 -9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.867 0.047 -9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.103 -2.244 -9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.501 -2.947 -9.838 1.00 0.00 H new ATOM 0 HE ARG A 63 2.853 -1.711 -11.843 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.311 -1.775 -11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.804 -1.283 -12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.503 -1.062 -13.914 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.219 -0.882 -14.292 1.00 0.00 H new ATOM 1027 N PHE A 64 2.046 -0.423 -5.832 1.00 0.00 N ATOM 1028 CA PHE A 64 0.755 0.049 -5.382 1.00 0.00 C ATOM 1029 C PHE A 64 0.353 1.291 -6.148 1.00 0.00 C ATOM 1030 O PHE A 64 1.046 2.318 -6.116 1.00 0.00 O ATOM 1031 CB PHE A 64 0.778 0.321 -3.870 1.00 0.00 C ATOM 1032 CG PHE A 64 0.858 -0.929 -3.015 1.00 0.00 C ATOM 1033 CD1 PHE A 64 1.919 -1.819 -3.143 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.124 -1.205 -2.079 1.00 0.00 C ATOM 1035 CE1 PHE A 64 1.994 -2.953 -2.357 1.00 0.00 C ATOM 1036 CE2 PHE A 64 -0.054 -2.341 -1.291 1.00 0.00 C ATOM 1037 CZ PHE A 64 1.008 -3.215 -1.432 1.00 0.00 C ATOM 0 H PHE A 64 2.827 0.185 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 64 0.014 -0.726 -5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.630 0.960 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.120 0.877 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.695 -1.621 -3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.955 -0.525 -1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.825 -3.633 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.829 -2.544 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.064 -4.102 -0.818 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.752 1.193 -6.852 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.256 2.286 -7.645 1.00 0.00 C ATOM 1049 C LEU A 65 -2.671 2.631 -7.230 1.00 0.00 C ATOM 1050 O LEU A 65 -3.515 1.760 -7.025 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.225 1.946 -9.141 1.00 0.00 C ATOM 1052 CG LEU A 65 0.116 1.428 -9.699 1.00 0.00 C ATOM 1053 CD1 LEU A 65 -0.003 1.140 -11.185 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.238 2.423 -9.444 1.00 0.00 C ATOM 0 H LEU A 65 -1.326 0.351 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.610 3.147 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.990 1.194 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.506 2.839 -9.700 1.00 0.00 H new ATOM 0 HG LEU A 65 0.360 0.502 -9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.952 0.775 -11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.771 0.384 -11.349 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.276 2.054 -11.712 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.171 2.031 -9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.002 3.370 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.346 2.582 -8.371 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.930 3.895 -7.097 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.247 4.373 -6.724 1.00 0.00 C ATOM 1068 C PHE A 66 -4.895 5.031 -7.910 1.00 0.00 C ATOM 1069 O PHE A 66 -4.536 6.137 -8.267 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.154 5.361 -5.552 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.423 6.126 -5.279 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.658 5.499 -5.332 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.376 7.478 -4.976 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.813 6.201 -5.092 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.533 8.187 -4.732 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.754 7.548 -4.790 1.00 0.00 C ATOM 0 H PHE A 66 -2.241 4.633 -7.242 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.854 3.526 -6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.874 4.813 -4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.353 6.071 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.712 4.446 -5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.422 7.982 -4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.769 5.700 -5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.483 9.240 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.663 8.100 -4.600 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.838 4.329 -8.540 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.560 4.822 -9.730 1.00 0.00 C ATOM 1088 C GLU A 67 -5.594 5.416 -10.784 1.00 0.00 C ATOM 1089 O GLU A 67 -5.951 6.316 -11.541 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.664 5.841 -9.339 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.159 7.163 -8.776 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.248 8.201 -8.674 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -9.095 8.099 -7.759 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.269 9.126 -9.514 1.00 0.00 O ATOM 0 H GLU A 67 -6.129 3.397 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.049 3.963 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.272 6.049 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.319 5.377 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.730 6.993 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.358 7.542 -9.411 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.383 4.868 -10.846 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.383 5.356 -11.781 1.00 0.00 C ATOM 1103 C GLY A 68 -2.278 6.163 -11.109 1.00 0.00 C ATOM 1104 O GLY A 68 -1.343 6.620 -11.764 1.00 0.00 O ATOM 0 H GLY A 68 -4.075 4.090 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.939 4.509 -12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.870 5.975 -12.534 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.371 6.335 -9.798 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.367 7.075 -9.045 1.00 0.00 C ATOM 1110 C GLN A 69 -0.216 6.180 -8.661 1.00 0.00 C ATOM 1111 O GLN A 69 -0.403 5.015 -8.338 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.968 7.695 -7.784 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.792 8.941 -8.025 1.00 0.00 C ATOM 1114 CD GLN A 69 -2.035 9.987 -8.816 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -2.158 10.072 -10.038 1.00 0.00 O ATOM 1116 NE2 GLN A 69 -1.200 10.746 -8.139 1.00 0.00 N ATOM 0 H GLN A 69 -3.136 5.970 -9.231 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.001 7.873 -9.691 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.594 6.951 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.160 7.938 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.703 8.673 -8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.097 9.363 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.126 10.646 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.627 11.434 -8.627 1.00 0.00 H new ATOM 1125 N ARG A 70 0.971 6.731 -8.676 1.00 0.00 N ATOM 1126 CA ARG A 70 2.171 6.004 -8.338 1.00 0.00 C ATOM 1127 C ARG A 70 2.489 6.144 -6.857 1.00 0.00 C ATOM 1128 O ARG A 70 2.785 7.232 -6.376 1.00 0.00 O ATOM 1129 CB ARG A 70 3.336 6.532 -9.179 1.00 0.00 C ATOM 1130 CG ARG A 70 4.714 6.038 -8.743 1.00 0.00 C ATOM 1131 CD ARG A 70 4.820 4.518 -8.772 1.00 0.00 C ATOM 1132 NE ARG A 70 4.774 3.970 -10.133 1.00 0.00 N ATOM 1133 CZ ARG A 70 5.665 3.095 -10.616 1.00 0.00 C ATOM 1134 NH1 ARG A 70 6.706 2.725 -9.874 1.00 0.00 N ATOM 1135 NH2 ARG A 70 5.526 2.606 -11.843 1.00 0.00 N ATOM 0 H ARG A 70 1.135 7.706 -8.925 1.00 0.00 H new ATOM 0 HA ARG A 70 2.015 4.947 -8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.175 6.246 -10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.328 7.621 -9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.474 6.465 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.923 6.395 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.751 4.214 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.007 4.090 -8.185 1.00 0.00 H new ATOM 0 HE ARG A 70 4.018 4.274 -10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.826 3.108 -8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.384 2.058 -10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.738 2.897 -12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.207 1.940 -12.207 1.00 0.00 H new ATOM 1149 N ILE A 71 2.412 5.052 -6.123 1.00 0.00 N ATOM 1150 CA ILE A 71 2.756 5.076 -4.717 1.00 0.00 C ATOM 1151 C ILE A 71 4.019 4.258 -4.470 1.00 0.00 C ATOM 1152 O ILE A 71 3.965 3.029 -4.306 1.00 0.00 O ATOM 1153 CB ILE A 71 1.611 4.539 -3.799 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.369 5.451 -3.848 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.102 4.398 -2.360 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.470 5.308 -5.101 1.00 0.00 C ATOM 0 H ILE A 71 2.116 4.142 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 71 2.922 6.122 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 71 1.322 3.558 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.257 5.237 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.692 6.488 -3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.292 4.023 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.939 3.700 -2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.426 5.370 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.321 5.987 -5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.135 5.552 -5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.829 4.282 -5.184 1.00 0.00 H new ATOM 1168 N ALA A 72 5.167 4.915 -4.459 1.00 0.00 N ATOM 1169 CA ALA A 72 6.402 4.207 -4.215 1.00 0.00 C ATOM 1170 C ALA A 72 6.838 4.361 -2.765 1.00 0.00 C ATOM 1171 O ALA A 72 7.773 5.085 -2.449 1.00 0.00 O ATOM 1172 CB ALA A 72 7.493 4.688 -5.162 1.00 0.00 C ATOM 0 H ALA A 72 5.265 5.918 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 72 6.229 3.147 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.415 4.142 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.184 4.512 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.662 5.754 -5.011 1.00 0.00 H new ATOM 1178 N ASP A 73 6.133 3.654 -1.888 1.00 0.00 N ATOM 1179 CA ASP A 73 6.438 3.560 -0.441 1.00 0.00 C ATOM 1180 C ASP A 73 6.724 4.905 0.255 1.00 0.00 C ATOM 1181 O ASP A 73 7.314 4.930 1.329 1.00 0.00 O ATOM 1182 CB ASP A 73 7.590 2.585 -0.220 1.00 0.00 C ATOM 1183 CG ASP A 73 7.247 1.218 -0.738 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.510 0.496 -0.047 1.00 0.00 O ATOM 1185 OD2 ASP A 73 7.645 0.887 -1.867 1.00 0.00 O ATOM 0 H ASP A 73 5.311 3.113 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 73 5.527 3.192 0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.484 2.954 -0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.823 2.527 0.843 1.00 0.00 H new ATOM 1190 N ASN A 74 6.277 6.014 -0.316 1.00 0.00 N ATOM 1191 CA ASN A 74 6.513 7.320 0.307 1.00 0.00 C ATOM 1192 C ASN A 74 5.370 8.279 0.037 1.00 0.00 C ATOM 1193 O ASN A 74 5.314 9.367 0.602 1.00 0.00 O ATOM 1194 CB ASN A 74 7.854 7.941 -0.140 1.00 0.00 C ATOM 1195 CG ASN A 74 7.824 8.522 -1.543 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.501 9.695 -1.741 1.00 0.00 O ATOM 1197 ND2 ASN A 74 8.164 7.717 -2.520 1.00 0.00 N ATOM 0 H ASN A 74 5.758 6.044 -1.193 1.00 0.00 H new ATOM 0 HA ASN A 74 6.569 7.147 1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.132 8.727 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.631 7.179 -0.089 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.167 8.056 -3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.426 6.752 -2.318 1.00 0.00 H new ATOM 1204 N HIS A 75 4.444 7.879 -0.829 1.00 0.00 N ATOM 1205 CA HIS A 75 3.300 8.703 -1.120 1.00 0.00 C ATOM 1206 C HIS A 75 2.385 8.714 0.093 1.00 0.00 C ATOM 1207 O HIS A 75 2.323 7.737 0.842 1.00 0.00 O ATOM 1208 CB HIS A 75 2.559 8.192 -2.357 1.00 0.00 C ATOM 1209 CG HIS A 75 2.154 9.283 -3.307 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.435 9.255 -4.658 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.483 10.438 -3.098 1.00 0.00 C ATOM 1212 CE1 HIS A 75 1.962 10.341 -5.229 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.380 11.073 -4.307 1.00 0.00 N ATOM 0 H HIS A 75 4.472 6.993 -1.333 1.00 0.00 H new ATOM 0 HA HIS A 75 3.630 9.719 -1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.195 7.480 -2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.669 7.649 -2.039 1.00 0.00 H new ATOM 0 HD1 HIS A 75 2.933 8.507 -5.140 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.099 10.794 -2.153 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.039 10.589 -6.277 1.00 0.00 H new ATOM 1222 N THR A 76 1.692 9.799 0.297 1.00 0.00 N ATOM 1223 CA THR A 76 0.848 9.951 1.460 1.00 0.00 C ATOM 1224 C THR A 76 -0.628 10.015 1.077 1.00 0.00 C ATOM 1225 O THR A 76 -0.972 10.454 -0.027 1.00 0.00 O ATOM 1226 CB THR A 76 1.225 11.223 2.238 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.151 12.360 1.370 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.631 11.110 2.798 1.00 0.00 C ATOM 0 H THR A 76 1.692 10.602 -0.332 1.00 0.00 H new ATOM 0 HA THR A 76 1.006 9.076 2.090 1.00 0.00 H new ATOM 0 HB THR A 76 0.524 11.343 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.678 13.095 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.879 12.020 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.687 10.255 3.472 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.339 10.974 1.980 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.520 9.581 1.991 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.971 9.605 1.764 1.00 0.00 C ATOM 1238 C PRO A 77 -3.490 11.025 1.542 1.00 0.00 C ATOM 1239 O PRO A 77 -4.476 11.245 0.838 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.560 9.003 3.062 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.466 9.089 4.070 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.176 9.022 3.312 1.00 0.00 C ATOM 0 HA PRO A 77 -3.254 9.052 0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.440 9.558 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.873 7.970 2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.534 10.018 4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.536 8.272 4.788 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.393 9.602 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.811 7.998 3.231 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.787 11.994 2.113 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.168 13.396 2.010 1.00 0.00 C ATOM 1252 C LYS A 78 -2.823 13.938 0.623 1.00 0.00 C ATOM 1253 O LYS A 78 -3.535 14.767 0.064 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.435 14.224 3.081 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.921 14.161 2.951 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.242 15.396 3.507 1.00 0.00 C ATOM 1257 CE LYS A 78 1.254 15.341 3.256 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.950 16.553 3.743 1.00 0.00 N ATOM 0 H LYS A 78 -1.940 11.831 2.658 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.244 13.474 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.757 15.263 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.724 13.866 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.550 13.279 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.654 14.044 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.662 16.289 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.434 15.473 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.671 14.463 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.437 15.224 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.968 16.470 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.572 17.390 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.799 16.652 4.767 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.735 13.440 0.061 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.246 13.898 -1.223 1.00 0.00 C ATOM 1274 C GLU A 79 -2.049 13.279 -2.354 1.00 0.00 C ATOM 1275 O GLU A 79 -2.276 13.898 -3.390 1.00 0.00 O ATOM 1276 CB GLU A 79 0.221 13.517 -1.367 1.00 0.00 C ATOM 1277 CG GLU A 79 0.876 14.015 -2.640 1.00 0.00 C ATOM 1278 CD GLU A 79 1.088 15.512 -2.645 1.00 0.00 C ATOM 1279 OE1 GLU A 79 2.156 15.953 -2.186 1.00 0.00 O ATOM 1280 OE2 GLU A 79 0.189 16.252 -3.112 1.00 0.00 O ATOM 0 H GLU A 79 -1.167 12.706 0.484 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.354 14.981 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.771 13.910 -0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.307 12.431 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.837 13.516 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.257 13.738 -3.494 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.486 12.053 -2.145 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.234 11.322 -3.155 1.00 0.00 C ATOM 1289 C LEU A 80 -4.647 11.854 -3.299 1.00 0.00 C ATOM 1290 O LEU A 80 -5.344 11.537 -4.264 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.280 9.853 -2.782 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.934 9.151 -2.747 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -2.037 7.875 -1.956 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.452 8.860 -4.157 1.00 0.00 C ATOM 0 H LEU A 80 -2.336 11.537 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.728 11.452 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.746 9.758 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.924 9.334 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.210 9.807 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.066 7.379 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.348 8.103 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.771 7.217 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.486 8.357 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.174 8.219 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.350 9.796 -4.707 1.00 0.00 H new ATOM 1306 N GLY A 81 -5.085 12.670 -2.348 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.415 13.212 -2.445 1.00 0.00 C ATOM 1308 C GLY A 81 -7.465 12.197 -2.064 1.00 0.00 C ATOM 1309 O GLY A 81 -8.631 12.341 -2.414 1.00 0.00 O ATOM 0 H GLY A 81 -4.551 12.958 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.500 14.084 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.594 13.555 -3.464 1.00 0.00 H new ATOM 1313 N MET A 82 -7.062 11.155 -1.343 1.00 0.00 N ATOM 1314 CA MET A 82 -7.981 10.080 -1.027 1.00 0.00 C ATOM 1315 C MET A 82 -8.441 10.185 0.426 1.00 0.00 C ATOM 1316 O MET A 82 -7.944 11.020 1.187 1.00 0.00 O ATOM 1317 CB MET A 82 -7.350 8.712 -1.319 1.00 0.00 C ATOM 1318 CG MET A 82 -6.231 8.301 -0.380 1.00 0.00 C ATOM 1319 SD MET A 82 -5.451 6.762 -0.904 1.00 0.00 S ATOM 1320 CE MET A 82 -4.444 6.375 0.517 1.00 0.00 C ATOM 0 H MET A 82 -6.119 11.037 -0.974 1.00 0.00 H new ATOM 0 HA MET A 82 -8.858 10.175 -1.667 1.00 0.00 H new ATOM 0 HB2 MET A 82 -8.132 7.954 -1.280 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.963 8.719 -2.338 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.482 9.092 -0.338 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.627 8.183 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.322 5.295 0.593 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.466 6.844 0.408 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.928 6.750 1.419 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.377 9.337 0.813 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.956 9.390 2.150 1.00 0.00 C ATOM 1332 C GLU A 83 -10.102 7.996 2.733 1.00 0.00 C ATOM 1333 O GLU A 83 -9.500 7.042 2.254 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.324 10.077 2.100 1.00 0.00 C ATOM 1335 CG GLU A 83 -11.249 11.553 1.815 1.00 0.00 C ATOM 1336 CD GLU A 83 -12.610 12.189 1.684 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -13.307 11.914 0.690 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -12.992 12.974 2.577 1.00 0.00 O ATOM 0 H GLU A 83 -9.756 8.599 0.220 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.285 9.963 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.933 9.598 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.832 9.925 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.697 12.046 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.687 11.713 0.895 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.889 7.883 3.787 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.144 6.598 4.406 1.00 0.00 C ATOM 1347 C GLU A 84 -12.024 5.738 3.495 1.00 0.00 C ATOM 1348 O GLU A 84 -12.705 6.256 2.603 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.799 6.778 5.782 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.181 7.405 5.739 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.781 7.558 7.115 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.220 6.543 7.692 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.823 8.693 7.625 1.00 0.00 O ATOM 0 H GLU A 84 -11.363 8.669 4.232 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.192 6.088 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.869 5.805 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.151 7.398 6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.120 8.382 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.838 6.790 5.124 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.991 4.421 3.711 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.743 3.453 2.917 1.00 0.00 C ATOM 1362 C GLU A 85 -12.291 3.500 1.450 1.00 0.00 C ATOM 1363 O GLU A 85 -13.009 3.080 0.538 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.256 3.716 3.047 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.139 2.574 2.561 1.00 0.00 C ATOM 1366 CD GLU A 85 -14.870 1.273 3.289 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -15.113 1.210 4.510 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -14.435 0.299 2.635 1.00 0.00 O ATOM 0 H GLU A 85 -11.434 3.994 4.451 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.543 2.451 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.488 3.919 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.505 4.616 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.186 2.849 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.980 2.427 1.493 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.073 3.984 1.223 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.550 4.112 -0.124 1.00 0.00 C ATOM 1377 C ASP A 86 -9.995 2.802 -0.623 1.00 0.00 C ATOM 1378 O ASP A 86 -9.661 1.915 0.165 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.478 5.171 -0.178 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.787 6.215 -1.229 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.657 5.912 -2.432 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.197 7.340 -0.857 1.00 0.00 O ATOM 0 H ASP A 86 -10.435 4.292 1.956 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.377 4.405 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.388 5.650 0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.516 4.707 -0.396 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.890 2.669 -1.933 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.387 1.457 -2.525 1.00 0.00 C ATOM 1389 C VAL A 87 -8.116 1.707 -3.348 1.00 0.00 C ATOM 1390 O VAL A 87 -8.050 2.619 -4.183 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.465 0.748 -3.395 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.966 1.661 -4.507 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.925 -0.558 -3.967 1.00 0.00 C ATOM 0 H VAL A 87 -10.149 3.392 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.129 0.794 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.312 0.514 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.718 1.137 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.407 2.557 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.132 1.943 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.695 -1.036 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.053 -0.350 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.640 -1.222 -3.151 1.00 0.00 H new ATOM 1403 N ILE A 88 -7.117 0.886 -3.100 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.849 0.958 -3.805 1.00 0.00 C ATOM 1405 C ILE A 88 -5.657 -0.334 -4.582 1.00 0.00 C ATOM 1406 O ILE A 88 -6.133 -1.394 -4.161 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.654 1.154 -2.839 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.919 2.312 -1.858 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.364 1.389 -3.619 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -5.036 3.665 -2.514 1.00 0.00 C ATOM 0 H ILE A 88 -7.159 0.145 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.877 1.820 -4.471 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.539 0.241 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.839 2.106 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.112 2.344 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.537 1.524 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.163 0.529 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.469 2.282 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.222 4.423 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.109 3.897 -3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.862 3.654 -3.225 1.00 0.00 H new ATOM 1422 N GLU A 89 -4.983 -0.266 -5.707 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.807 -1.430 -6.544 1.00 0.00 C ATOM 1424 C GLU A 89 -3.334 -1.782 -6.676 1.00 0.00 C ATOM 1425 O GLU A 89 -2.488 -0.915 -6.868 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.425 -1.168 -7.907 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.771 -0.481 -7.809 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.527 -0.472 -9.106 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -7.904 -1.558 -9.590 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -7.762 0.625 -9.647 1.00 0.00 O ATOM 0 H GLU A 89 -4.547 0.584 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.309 -2.281 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.748 -0.551 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.540 -2.113 -8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.372 -0.981 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.624 0.546 -7.475 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.025 -3.050 -6.557 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.655 -3.506 -6.641 1.00 0.00 C ATOM 1439 C VAL A 90 -1.410 -4.257 -7.945 1.00 0.00 C ATOM 1440 O VAL A 90 -2.076 -5.252 -8.243 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.295 -4.400 -5.438 1.00 0.00 C ATOM 1442 CG1 VAL A 90 0.135 -4.865 -5.519 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.536 -3.657 -4.143 1.00 0.00 C ATOM 0 H VAL A 90 -3.708 -3.791 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.012 -2.626 -6.621 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.938 -5.280 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.362 -5.494 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.280 -5.438 -6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.799 -4.001 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.278 -4.300 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.917 -2.760 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.587 -3.375 -4.075 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.448 -3.777 -8.721 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.129 -4.367 -10.018 1.00 0.00 C ATOM 1455 C TYR A 91 1.239 -5.035 -9.983 1.00 0.00 C ATOM 1456 O TYR A 91 2.199 -4.476 -9.454 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.163 -3.296 -11.106 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.522 -2.660 -11.302 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -1.931 -1.597 -10.510 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.394 -3.116 -12.284 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.164 -1.008 -10.683 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.633 -2.532 -12.464 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.011 -1.477 -11.660 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.244 -0.887 -11.834 1.00 0.00 O ATOM 0 H TYR A 91 0.130 -2.974 -8.474 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.878 -5.126 -10.244 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.559 -2.518 -10.858 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.158 -3.740 -12.048 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.269 -1.224 -9.742 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.098 -3.940 -12.916 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.464 -0.182 -10.055 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.301 -2.899 -13.229 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.720 -1.334 -12.565 1.00 0.00 H new ATOM 1474 N GLN A 92 1.333 -6.219 -10.565 1.00 0.00 N ATOM 1475 CA GLN A 92 2.567 -7.008 -10.537 1.00 0.00 C ATOM 1476 C GLN A 92 3.485 -6.625 -11.679 1.00 0.00 C ATOM 1477 O GLN A 92 3.170 -6.856 -12.852 1.00 0.00 O ATOM 1478 CB GLN A 92 2.229 -8.507 -10.601 1.00 0.00 C ATOM 1479 CG GLN A 92 3.267 -9.451 -9.973 1.00 0.00 C ATOM 1480 CD GLN A 92 4.562 -9.568 -10.761 1.00 0.00 C ATOM 1481 OE1 GLN A 92 4.681 -10.390 -11.665 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.546 -8.776 -10.402 1.00 0.00 N ATOM 0 H GLN A 92 0.565 -6.664 -11.069 1.00 0.00 H new ATOM 0 HA GLN A 92 3.089 -6.798 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.272 -8.667 -10.104 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.096 -8.787 -11.646 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.498 -9.101 -8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.826 -10.442 -9.872 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.411 -8.105 -9.646 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.446 -8.832 -10.879 1.00 0.00 H new ATOM 1491 N GLU A 93 4.621 -6.035 -11.332 1.00 0.00 N ATOM 1492 CA GLU A 93 5.638 -5.648 -12.294 1.00 0.00 C ATOM 1493 C GLU A 93 6.822 -5.027 -11.575 1.00 0.00 C ATOM 1494 O GLU A 93 6.661 -4.326 -10.567 1.00 0.00 O ATOM 1495 CB GLU A 93 5.089 -4.685 -13.361 1.00 0.00 C ATOM 1496 CG GLU A 93 6.123 -4.302 -14.410 1.00 0.00 C ATOM 1497 CD GLU A 93 5.546 -3.517 -15.563 1.00 0.00 C ATOM 1498 OE1 GLU A 93 4.668 -4.048 -16.270 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.987 -2.369 -15.784 1.00 0.00 O ATOM 0 H GLU A 93 4.862 -5.811 -10.367 1.00 0.00 H new ATOM 0 HA GLU A 93 5.963 -6.550 -12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.234 -5.148 -13.854 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.724 -3.781 -12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.909 -3.713 -13.937 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.591 -5.208 -14.795 1.00 0.00 H new