USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 949 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 115 ASN : amide:sc= -6.62 K(o=-18,f=-24!) USER MOD Set 1.2: A 117 ASN : amide:sc= -4.76 K(o=-18,f=-28!) USER MOD Set 1.3: A 131 GLN : amide:sc= -5.19 K(o=-18,f=-20!) USER MOD Set 1.4: A 134 GLN : amide:sc= -1.47 K(o=-18,f=-21!) USER MOD Set 2.1: A 47 HIS : no HD1:sc= -11.4! C(o=-13!,f=-11!) USER MOD Set 2.2: A 78 ASN : amide:sc= -1.65 K(o=-13,f=-15!) USER MOD Set 3.1: A 24 HIS : no HE2:sc= -8.21! C(o=-9.9!,f=-13!) USER MOD Set 3.2: A 136 MET CE :methyl -163:sc= -1.7 (180deg=-2.34) USER MOD Single : A 22 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.44) USER MOD Single : A 27 THR OG1 : rot 79:sc= 1.01 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -110:sc= -1.29 (180deg=-6.06!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -130:sc= -1.34 USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.178 (180deg=-0.699) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 170:sc= -4.83! USER MOD Single : A 65 THR OG1 : rot 180:sc=0.000736 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.263 USER MOD Single : A 72 HIS : no HD1:sc= -0.315 X(o=-0.31,f=0.019) USER MOD Single : A 73 ASN : amide:sc= -6.32! C(o=-6.3!,f=-14!) USER MOD Single : A 76 MET CE :methyl -148:sc= -2.86 (180deg=-7.08!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -34:sc= -0.531! USER MOD Single : A 96 TYR OH : rot -64:sc= -1.11 USER MOD Single : A 106 SER OG : rot 180:sc= -0.344 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 119 ASN : amide:sc= -1 X(o=-1,f=-0.97) USER MOD Single : A 121 SER OG : rot 66:sc= 1.18 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 144:sc= 0.142 (180deg=-0.0906) USER MOD Single : A 124 TYR OH : rot 45:sc= -1.24 USER MOD Single : A 126 TYR OH : rot -173:sc= -0.544 USER MOD Single : A 128 SER OG : rot 180:sc= -0.589 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -2.43 K(o=-2.4,f=-3.8!) USER MOD Single : A 144 THR OG1 : rot -38:sc= 0.0821 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -9.630 0.688 -10.382 1.00 0.00 N ATOM 309 CA HIS A 22 -9.932 -0.300 -9.349 1.00 0.00 C ATOM 310 C HIS A 22 -8.785 -1.298 -9.221 1.00 0.00 C ATOM 311 O HIS A 22 -8.785 -2.343 -9.871 1.00 0.00 O ATOM 312 CB HIS A 22 -11.231 -1.035 -9.678 1.00 0.00 C ATOM 313 CG HIS A 22 -11.319 -1.488 -11.102 1.00 0.00 C ATOM 314 ND1 HIS A 22 -11.980 -0.775 -12.081 1.00 0.00 N ATOM 315 CD2 HIS A 22 -10.824 -2.592 -11.715 1.00 0.00 C ATOM 316 CE1 HIS A 22 -11.890 -1.419 -13.231 1.00 0.00 C ATOM 317 NE2 HIS A 22 -11.192 -2.522 -13.035 1.00 0.00 N ATOM 0 HA HIS A 22 -10.055 0.220 -8.399 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.324 -1.902 -9.023 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.074 -0.380 -9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.248 -3.379 -11.251 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.315 -1.098 -14.171 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.963 -3.212 -13.750 1.00 0.00 H new ATOM 326 N ILE A 23 -7.800 -0.957 -8.396 1.00 0.00 N ATOM 327 CA ILE A 23 -6.633 -1.807 -8.202 1.00 0.00 C ATOM 328 C ILE A 23 -6.175 -1.802 -6.731 1.00 0.00 C ATOM 329 O ILE A 23 -6.657 -2.602 -5.915 1.00 0.00 O ATOM 330 CB ILE A 23 -5.488 -1.343 -9.140 1.00 0.00 C ATOM 331 CG1 ILE A 23 -5.785 -1.750 -10.586 1.00 0.00 C ATOM 332 CG2 ILE A 23 -4.141 -1.890 -8.702 1.00 0.00 C ATOM 333 CD1 ILE A 23 -5.761 -0.587 -11.555 1.00 0.00 C ATOM 0 H ILE A 23 -7.788 -0.095 -7.850 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.904 -2.832 -8.453 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.435 -0.256 -9.080 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.054 -2.493 -10.904 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.764 -2.228 -10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.367 -1.541 -9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.918 -1.542 -7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.170 -2.980 -8.712 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.979 -0.947 -12.561 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.511 0.147 -11.261 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.775 -0.123 -11.542 1.00 0.00 H new ATOM 345 N HIS A 24 -5.256 -0.895 -6.389 1.00 0.00 N ATOM 346 CA HIS A 24 -4.759 -0.797 -5.020 1.00 0.00 C ATOM 347 C HIS A 24 -5.648 0.135 -4.202 1.00 0.00 C ATOM 348 O HIS A 24 -5.179 0.844 -3.313 1.00 0.00 O ATOM 349 CB HIS A 24 -3.312 -0.305 -4.996 1.00 0.00 C ATOM 350 CG HIS A 24 -2.443 -0.946 -6.033 1.00 0.00 C ATOM 351 ND1 HIS A 24 -2.415 -2.306 -6.254 1.00 0.00 N ATOM 352 CD2 HIS A 24 -1.568 -0.405 -6.915 1.00 0.00 C ATOM 353 CE1 HIS A 24 -1.559 -2.575 -7.224 1.00 0.00 C ATOM 354 NE2 HIS A 24 -1.032 -1.438 -7.643 1.00 0.00 N ATOM 0 H HIS A 24 -4.845 -0.224 -7.038 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.786 -1.792 -4.576 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.302 0.775 -5.143 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.888 -0.497 -4.010 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -2.969 -2.997 -5.748 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.336 0.644 -7.025 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.329 -3.557 -7.609 1.00 0.00 H new ATOM 363 N TRP A 25 -6.939 0.118 -4.522 1.00 0.00 N ATOM 364 CA TRP A 25 -7.925 0.950 -3.846 1.00 0.00 C ATOM 365 C TRP A 25 -9.309 0.301 -3.867 1.00 0.00 C ATOM 366 O TRP A 25 -10.237 0.798 -3.229 1.00 0.00 O ATOM 367 CB TRP A 25 -7.998 2.319 -4.517 1.00 0.00 C ATOM 368 CG TRP A 25 -7.443 2.315 -5.902 1.00 0.00 C ATOM 369 CD1 TRP A 25 -8.144 2.155 -7.055 1.00 0.00 C ATOM 370 CD2 TRP A 25 -6.068 2.457 -6.282 1.00 0.00 C ATOM 371 NE1 TRP A 25 -7.293 2.200 -8.129 1.00 0.00 N ATOM 372 CE2 TRP A 25 -6.018 2.387 -7.683 1.00 0.00 C ATOM 373 CE3 TRP A 25 -4.880 2.643 -5.577 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -4.827 2.497 -8.396 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -3.697 2.753 -6.282 1.00 0.00 C ATOM 376 CH2 TRP A 25 -3.677 2.681 -7.679 1.00 0.00 C ATOM 0 H TRP A 25 -7.329 -0.473 -5.256 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.612 1.062 -2.808 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.037 2.648 -4.548 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.451 3.044 -3.914 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -9.213 2.013 -7.116 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -7.570 2.108 -9.106 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.884 2.700 -4.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.812 2.439 -9.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.771 2.897 -5.745 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.736 2.772 -8.201 1.00 0.00 H new ATOM 387 N ARG A 26 -9.448 -0.801 -4.611 1.00 0.00 N ATOM 388 CA ARG A 26 -10.725 -1.505 -4.718 1.00 0.00 C ATOM 389 C ARG A 26 -11.484 -1.536 -3.373 1.00 0.00 C ATOM 390 O ARG A 26 -12.712 -1.540 -3.372 1.00 0.00 O ATOM 391 CB ARG A 26 -10.508 -2.924 -5.290 1.00 0.00 C ATOM 392 CG ARG A 26 -11.709 -3.851 -5.194 1.00 0.00 C ATOM 393 CD ARG A 26 -12.841 -3.393 -6.092 1.00 0.00 C ATOM 394 NE ARG A 26 -13.889 -2.696 -5.351 1.00 0.00 N ATOM 395 CZ ARG A 26 -15.135 -2.542 -5.794 1.00 0.00 C ATOM 396 NH1 ARG A 26 -15.492 -3.030 -6.977 1.00 0.00 N ATOM 397 NH2 ARG A 26 -16.027 -1.896 -5.056 1.00 0.00 N ATOM 0 H ARG A 26 -8.690 -1.223 -5.147 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.357 -0.952 -5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.220 -2.836 -6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.670 -3.385 -4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.411 -4.863 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.056 -3.891 -4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.445 -2.733 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.271 -4.256 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.652 -2.304 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.810 -3.526 -7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.448 -2.909 -7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.759 -1.516 -4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.981 -1.778 -5.396 1.00 0.00 H new ATOM 411 N THR A 27 -10.753 -1.528 -2.232 1.00 0.00 N ATOM 412 CA THR A 27 -11.376 -1.527 -0.892 1.00 0.00 C ATOM 413 C THR A 27 -10.466 -2.181 0.152 1.00 0.00 C ATOM 414 O THR A 27 -9.787 -3.165 -0.122 1.00 0.00 O ATOM 415 CB THR A 27 -12.750 -2.225 -0.902 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.765 -1.320 -1.302 1.00 0.00 O ATOM 417 CG2 THR A 27 -13.166 -2.792 0.441 1.00 0.00 C ATOM 0 H THR A 27 -9.733 -1.522 -2.216 1.00 0.00 H new ATOM 0 HA THR A 27 -11.523 -0.483 -0.617 1.00 0.00 H new ATOM 0 HB THR A 27 -12.636 -3.051 -1.604 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.746 -1.217 -2.276 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.143 -3.266 0.349 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.434 -3.531 0.767 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.221 -1.988 1.174 1.00 0.00 H new ATOM 425 N LEU A 28 -10.469 -1.628 1.360 1.00 0.00 N ATOM 426 CA LEU A 28 -9.651 -2.162 2.444 1.00 0.00 C ATOM 427 C LEU A 28 -10.258 -3.444 3.011 1.00 0.00 C ATOM 428 O LEU A 28 -9.539 -4.373 3.379 1.00 0.00 O ATOM 429 CB LEU A 28 -9.498 -1.124 3.556 1.00 0.00 C ATOM 430 CG LEU A 28 -8.519 -1.509 4.669 1.00 0.00 C ATOM 431 CD1 LEU A 28 -7.802 -0.276 5.200 1.00 0.00 C ATOM 432 CD2 LEU A 28 -9.248 -2.230 5.792 1.00 0.00 C ATOM 0 H LEU A 28 -11.027 -0.813 1.613 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.668 -2.398 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.169 -0.184 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.477 -0.942 4.000 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.773 -2.186 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.111 -0.569 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.248 0.199 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.533 0.426 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.538 -2.497 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.016 -1.576 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.714 -3.135 5.401 1.00 0.00 H new ATOM 444 N GLU A 29 -11.586 -3.486 3.082 1.00 0.00 N ATOM 445 CA GLU A 29 -12.286 -4.653 3.609 1.00 0.00 C ATOM 446 C GLU A 29 -12.065 -5.876 2.719 1.00 0.00 C ATOM 447 O GLU A 29 -11.341 -6.799 3.092 1.00 0.00 O ATOM 448 CB GLU A 29 -13.783 -4.363 3.742 1.00 0.00 C ATOM 449 CG GLU A 29 -14.436 -5.065 4.921 1.00 0.00 C ATOM 450 CD GLU A 29 -15.925 -4.799 5.007 1.00 0.00 C ATOM 451 OE1 GLU A 29 -16.318 -3.613 5.006 1.00 0.00 O ATOM 452 OE2 GLU A 29 -16.700 -5.775 5.073 1.00 0.00 O ATOM 0 H GLU A 29 -12.197 -2.727 2.782 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.878 -4.871 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.929 -3.288 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.286 -4.667 2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.267 -6.139 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.958 -4.737 5.844 1.00 0.00 H new ATOM 459 N ASP A 30 -12.691 -5.877 1.545 1.00 0.00 N ATOM 460 CA ASP A 30 -12.561 -6.988 0.604 1.00 0.00 C ATOM 461 C ASP A 30 -11.102 -7.401 0.435 1.00 0.00 C ATOM 462 O ASP A 30 -10.789 -8.587 0.346 1.00 0.00 O ATOM 463 CB ASP A 30 -13.154 -6.604 -0.754 1.00 0.00 C ATOM 464 CG ASP A 30 -14.669 -6.570 -0.733 1.00 0.00 C ATOM 465 OD1 ASP A 30 -15.234 -5.573 -0.238 1.00 0.00 O ATOM 466 OD2 ASP A 30 -15.292 -7.541 -1.212 1.00 0.00 O ATOM 0 H ASP A 30 -13.294 -5.121 1.222 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.111 -7.837 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.775 -5.626 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.820 -7.316 -1.508 1.00 0.00 H new ATOM 471 N GLY A 31 -10.213 -6.413 0.397 1.00 0.00 N ATOM 472 CA GLY A 31 -8.799 -6.697 0.244 1.00 0.00 C ATOM 473 C GLY A 31 -8.263 -7.564 1.366 1.00 0.00 C ATOM 474 O GLY A 31 -7.341 -8.353 1.166 1.00 0.00 O ATOM 0 H GLY A 31 -10.447 -5.423 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.632 -7.197 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.243 -5.760 0.215 1.00 0.00 H new ATOM 478 N LYS A 32 -8.847 -7.416 2.552 1.00 0.00 N ATOM 479 CA LYS A 32 -8.426 -8.190 3.714 1.00 0.00 C ATOM 480 C LYS A 32 -9.045 -9.585 3.693 1.00 0.00 C ATOM 481 O LYS A 32 -8.388 -10.570 4.026 1.00 0.00 O ATOM 482 CB LYS A 32 -8.819 -7.467 5.004 1.00 0.00 C ATOM 483 CG LYS A 32 -8.370 -8.186 6.266 1.00 0.00 C ATOM 484 CD LYS A 32 -9.118 -7.683 7.490 1.00 0.00 C ATOM 485 CE LYS A 32 -10.253 -8.622 7.874 1.00 0.00 C ATOM 486 NZ LYS A 32 -10.312 -8.849 9.344 1.00 0.00 N ATOM 0 H LYS A 32 -9.613 -6.767 2.733 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.341 -8.292 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.390 -6.465 4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.902 -7.349 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.534 -9.258 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.299 -8.040 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.426 -7.586 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.518 -6.689 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.200 -8.205 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.123 -9.577 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.098 -9.494 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.418 -9.271 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.462 -7.942 9.830 1.00 0.00 H new ATOM 500 N LYS A 33 -10.312 -9.660 3.297 1.00 0.00 N ATOM 501 CA LYS A 33 -11.017 -10.936 3.232 1.00 0.00 C ATOM 502 C LYS A 33 -10.306 -11.905 2.294 1.00 0.00 C ATOM 503 O LYS A 33 -10.139 -13.082 2.611 1.00 0.00 O ATOM 504 CB LYS A 33 -12.459 -10.724 2.765 1.00 0.00 C ATOM 505 CG LYS A 33 -13.276 -12.005 2.714 1.00 0.00 C ATOM 506 CD LYS A 33 -14.425 -11.893 1.723 1.00 0.00 C ATOM 507 CE LYS A 33 -14.505 -13.112 0.819 1.00 0.00 C ATOM 508 NZ LYS A 33 -15.358 -12.863 -0.375 1.00 0.00 N ATOM 0 H LYS A 33 -10.871 -8.854 3.017 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.025 -11.367 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.949 -10.017 3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.448 -10.270 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.632 -12.838 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.670 -12.227 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.364 -11.779 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.297 -10.997 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.502 -13.391 0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.905 -13.955 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.387 -13.718 -0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.322 -12.621 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.962 -12.075 -0.926 1.00 0.00 H new ATOM 522 N GLU A 34 -9.887 -11.401 1.139 1.00 0.00 N ATOM 523 CA GLU A 34 -9.189 -12.222 0.156 1.00 0.00 C ATOM 524 C GLU A 34 -7.728 -12.411 0.547 1.00 0.00 C ATOM 525 O GLU A 34 -7.162 -13.490 0.369 1.00 0.00 O ATOM 526 CB GLU A 34 -9.280 -11.583 -1.230 1.00 0.00 C ATOM 527 CG GLU A 34 -8.591 -12.391 -2.316 1.00 0.00 C ATOM 528 CD GLU A 34 -9.306 -12.303 -3.650 1.00 0.00 C ATOM 529 OE1 GLU A 34 -9.209 -11.247 -4.308 1.00 0.00 O ATOM 530 OE2 GLU A 34 -9.965 -13.293 -4.038 1.00 0.00 O ATOM 0 H GLU A 34 -10.018 -10.429 0.860 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.669 -13.200 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.330 -11.455 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.837 -10.588 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.567 -12.037 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.534 -13.435 -2.007 1.00 0.00 H new ATOM 537 N ALA A 35 -7.123 -11.356 1.082 1.00 0.00 N ATOM 538 CA ALA A 35 -5.726 -11.406 1.500 1.00 0.00 C ATOM 539 C ALA A 35 -5.502 -12.485 2.555 1.00 0.00 C ATOM 540 O ALA A 35 -4.377 -12.942 2.757 1.00 0.00 O ATOM 541 CB ALA A 35 -5.289 -10.049 2.031 1.00 0.00 C ATOM 0 H ALA A 35 -7.578 -10.456 1.237 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.121 -11.659 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.245 -10.098 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.401 -9.299 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.908 -9.776 2.886 1.00 0.00 H new ATOM 547 N ALA A 36 -6.576 -12.888 3.228 1.00 0.00 N ATOM 548 CA ALA A 36 -6.490 -13.910 4.263 1.00 0.00 C ATOM 549 C ALA A 36 -6.303 -15.297 3.656 1.00 0.00 C ATOM 550 O ALA A 36 -5.362 -16.012 3.997 1.00 0.00 O ATOM 551 CB ALA A 36 -7.735 -13.879 5.137 1.00 0.00 C ATOM 0 H ALA A 36 -7.515 -12.522 3.074 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.618 -13.693 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.659 -14.647 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.824 -12.900 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.616 -14.067 4.523 1.00 0.00 H new ATOM 557 N ALA A 37 -7.209 -15.672 2.758 1.00 0.00 N ATOM 558 CA ALA A 37 -7.146 -16.975 2.107 1.00 0.00 C ATOM 559 C ALA A 37 -5.922 -17.084 1.204 1.00 0.00 C ATOM 560 O ALA A 37 -4.976 -17.809 1.507 1.00 0.00 O ATOM 561 CB ALA A 37 -8.417 -17.227 1.311 1.00 0.00 C ATOM 0 H ALA A 37 -7.995 -15.092 2.465 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.058 -17.736 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.357 -18.203 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.276 -17.205 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.529 -16.454 0.551 1.00 0.00 H new ATOM 567 N SER A 38 -5.951 -16.361 0.087 1.00 0.00 N ATOM 568 CA SER A 38 -4.848 -16.378 -0.866 1.00 0.00 C ATOM 569 C SER A 38 -3.534 -15.977 -0.199 1.00 0.00 C ATOM 570 O SER A 38 -2.456 -16.370 -0.647 1.00 0.00 O ATOM 571 CB SER A 38 -5.144 -15.437 -2.036 1.00 0.00 C ATOM 572 OG SER A 38 -6.390 -15.747 -2.634 1.00 0.00 O ATOM 0 H SER A 38 -6.728 -15.756 -0.179 1.00 0.00 H new ATOM 0 HA SER A 38 -4.745 -17.397 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.152 -14.405 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.351 -15.514 -2.779 1.00 0.00 H new ATOM 0 HG SER A 38 -6.558 -15.131 -3.378 1.00 0.00 H new ATOM 578 N GLY A 39 -3.627 -15.193 0.870 1.00 0.00 N ATOM 579 CA GLY A 39 -2.434 -14.756 1.572 1.00 0.00 C ATOM 580 C GLY A 39 -1.704 -13.651 0.834 1.00 0.00 C ATOM 581 O GLY A 39 -0.512 -13.765 0.553 1.00 0.00 O ATOM 0 H GLY A 39 -4.505 -14.853 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.709 -14.405 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.763 -15.605 1.707 1.00 0.00 H new ATOM 585 N LEU A 40 -2.425 -12.581 0.513 1.00 0.00 N ATOM 586 CA LEU A 40 -1.842 -11.453 -0.202 1.00 0.00 C ATOM 587 C LEU A 40 -1.672 -10.247 0.720 1.00 0.00 C ATOM 588 O LEU A 40 -2.508 -9.999 1.589 1.00 0.00 O ATOM 589 CB LEU A 40 -2.718 -11.081 -1.400 1.00 0.00 C ATOM 590 CG LEU A 40 -1.975 -10.970 -2.736 1.00 0.00 C ATOM 591 CD1 LEU A 40 -2.598 -11.883 -3.781 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.968 -9.529 -3.223 1.00 0.00 C ATOM 0 H LEU A 40 -3.414 -12.472 0.737 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.855 -11.749 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.506 -11.827 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.206 -10.129 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.944 -11.288 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.053 -11.786 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.548 -12.916 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.640 -11.602 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.436 -9.468 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.994 -9.186 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.469 -8.899 -2.487 1.00 0.00 H new ATOM 604 N PRO A 41 -0.583 -9.477 0.542 1.00 0.00 N ATOM 605 CA PRO A 41 -0.310 -8.293 1.366 1.00 0.00 C ATOM 606 C PRO A 41 -1.300 -7.161 1.105 1.00 0.00 C ATOM 607 O PRO A 41 -2.044 -7.185 0.121 1.00 0.00 O ATOM 608 CB PRO A 41 1.101 -7.879 0.944 1.00 0.00 C ATOM 609 CG PRO A 41 1.256 -8.419 -0.436 1.00 0.00 C ATOM 610 CD PRO A 41 0.467 -9.697 -0.469 1.00 0.00 C ATOM 0 HA PRO A 41 -0.403 -8.510 2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.218 -6.795 0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.853 -8.291 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.884 -7.711 -1.177 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.305 -8.602 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.042 -9.882 -1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.087 -10.559 -0.223 1.00 0.00 H new ATOM 618 N LEU A 42 -1.310 -6.171 1.995 1.00 0.00 N ATOM 619 CA LEU A 42 -2.214 -5.039 1.863 1.00 0.00 C ATOM 620 C LEU A 42 -1.537 -3.867 1.157 1.00 0.00 C ATOM 621 O LEU A 42 -0.552 -3.315 1.652 1.00 0.00 O ATOM 622 CB LEU A 42 -2.717 -4.603 3.244 1.00 0.00 C ATOM 623 CG LEU A 42 -4.039 -5.236 3.700 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.217 -4.394 3.243 1.00 0.00 C ATOM 625 CD2 LEU A 42 -4.171 -6.664 3.181 1.00 0.00 C ATOM 0 H LEU A 42 -0.702 -6.133 2.813 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.062 -5.354 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.949 -4.838 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.836 -3.519 3.242 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.038 -5.272 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.146 -4.858 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.137 -3.394 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.214 -4.325 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.117 -7.088 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.144 -6.659 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.346 -7.267 3.561 1.00 0.00 H new ATOM 637 N MET A 43 -2.078 -3.493 0.000 1.00 0.00 N ATOM 638 CA MET A 43 -1.536 -2.384 -0.776 1.00 0.00 C ATOM 639 C MET A 43 -2.055 -1.057 -0.235 1.00 0.00 C ATOM 640 O MET A 43 -3.016 -0.489 -0.765 1.00 0.00 O ATOM 641 CB MET A 43 -1.918 -2.534 -2.254 1.00 0.00 C ATOM 642 CG MET A 43 -0.946 -1.866 -3.220 1.00 0.00 C ATOM 643 SD MET A 43 0.774 -2.331 -2.932 1.00 0.00 S ATOM 644 CE MET A 43 1.336 -0.941 -1.953 1.00 0.00 C ATOM 0 H MET A 43 -2.892 -3.943 -0.420 1.00 0.00 H new ATOM 0 HA MET A 43 -0.450 -2.398 -0.690 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.982 -3.595 -2.496 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.912 -2.112 -2.406 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.221 -2.129 -4.242 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.043 -0.784 -3.132 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.030 -0.340 -2.540 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.481 -0.330 -1.664 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.840 -1.306 -1.058 1.00 0.00 H new ATOM 654 N VAL A 44 -1.419 -0.575 0.830 1.00 0.00 N ATOM 655 CA VAL A 44 -1.815 0.678 1.456 1.00 0.00 C ATOM 656 C VAL A 44 -1.195 1.872 0.744 1.00 0.00 C ATOM 657 O VAL A 44 -0.211 2.446 1.208 1.00 0.00 O ATOM 658 CB VAL A 44 -1.427 0.709 2.946 1.00 0.00 C ATOM 659 CG1 VAL A 44 -1.764 2.057 3.569 1.00 0.00 C ATOM 660 CG2 VAL A 44 -2.127 -0.415 3.693 1.00 0.00 C ATOM 0 H VAL A 44 -0.626 -1.036 1.276 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.900 0.744 1.375 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.349 0.564 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.480 2.053 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.218 2.845 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.835 2.240 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.845 -0.383 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.207 -0.295 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.832 -1.374 3.267 1.00 0.00 H new ATOM 670 N ILE A 45 -1.786 2.244 -0.384 1.00 0.00 N ATOM 671 CA ILE A 45 -1.304 3.373 -1.164 1.00 0.00 C ATOM 672 C ILE A 45 -2.084 4.637 -0.815 1.00 0.00 C ATOM 673 O ILE A 45 -3.239 4.801 -1.210 1.00 0.00 O ATOM 674 CB ILE A 45 -1.419 3.081 -2.673 1.00 0.00 C ATOM 675 CG1 ILE A 45 -0.738 1.748 -2.993 1.00 0.00 C ATOM 676 CG2 ILE A 45 -0.805 4.207 -3.490 1.00 0.00 C ATOM 677 CD1 ILE A 45 -0.637 1.448 -4.473 1.00 0.00 C ATOM 0 H ILE A 45 -2.603 1.778 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.254 3.530 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.474 3.013 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.264 1.752 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.290 0.944 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.898 3.979 -4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.325 5.140 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.249 4.311 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.143 0.487 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.637 1.410 -4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.059 2.230 -4.964 1.00 0.00 H new ATOM 689 N ILE A 46 -1.452 5.520 -0.050 1.00 0.00 N ATOM 690 CA ILE A 46 -2.094 6.758 0.376 1.00 0.00 C ATOM 691 C ILE A 46 -1.468 7.964 -0.307 1.00 0.00 C ATOM 692 O ILE A 46 -0.264 7.990 -0.559 1.00 0.00 O ATOM 693 CB ILE A 46 -2.009 6.922 1.905 1.00 0.00 C ATOM 694 CG1 ILE A 46 -2.382 5.607 2.589 1.00 0.00 C ATOM 695 CG2 ILE A 46 -2.918 8.043 2.385 1.00 0.00 C ATOM 696 CD1 ILE A 46 -1.547 5.307 3.813 1.00 0.00 C ATOM 0 H ILE A 46 -0.497 5.402 0.288 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.143 6.700 0.085 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.984 7.185 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.433 5.641 2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.272 4.791 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.839 8.137 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.618 8.980 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.949 7.816 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.866 4.360 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.497 5.241 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.676 6.104 4.546 1.00 0.00 H new ATOM 708 N HIS A 47 -2.294 8.956 -0.617 1.00 0.00 N ATOM 709 CA HIS A 47 -1.804 10.157 -1.291 1.00 0.00 C ATOM 710 C HIS A 47 -2.487 11.414 -0.772 1.00 0.00 C ATOM 711 O HIS A 47 -3.707 11.553 -0.865 1.00 0.00 O ATOM 712 CB HIS A 47 -2.023 10.047 -2.801 1.00 0.00 C ATOM 713 CG HIS A 47 -2.037 8.640 -3.309 1.00 0.00 C ATOM 714 ND1 HIS A 47 -1.131 8.168 -4.230 1.00 0.00 N ATOM 715 CD2 HIS A 47 -2.863 7.603 -3.028 1.00 0.00 C ATOM 716 CE1 HIS A 47 -1.398 6.906 -4.500 1.00 0.00 C ATOM 717 NE2 HIS A 47 -2.445 6.537 -3.784 1.00 0.00 N ATOM 0 H HIS A 47 -3.294 8.956 -0.417 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.738 10.235 -1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.968 10.525 -3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.237 10.601 -3.314 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.694 7.614 -2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.853 6.279 -5.190 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.873 5.611 -3.792 1.00 0.00 H new ATOM 726 N LYS A 48 -1.692 12.337 -0.238 1.00 0.00 N ATOM 727 CA LYS A 48 -2.243 13.592 0.278 1.00 0.00 C ATOM 728 C LYS A 48 -1.408 14.797 -0.143 1.00 0.00 C ATOM 729 O LYS A 48 -0.274 14.653 -0.602 1.00 0.00 O ATOM 730 CB LYS A 48 -2.357 13.549 1.802 1.00 0.00 C ATOM 731 CG LYS A 48 -3.598 14.251 2.335 1.00 0.00 C ATOM 732 CD LYS A 48 -4.867 13.732 1.670 1.00 0.00 C ATOM 733 CE LYS A 48 -5.418 14.730 0.663 1.00 0.00 C ATOM 734 NZ LYS A 48 -6.117 15.863 1.328 1.00 0.00 N ATOM 0 H LYS A 48 -0.680 12.245 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.238 13.703 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.368 12.509 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.471 14.011 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.665 14.103 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.511 15.324 2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.656 12.787 1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.620 13.528 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.603 15.116 0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.109 14.222 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.477 16.520 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.911 15.498 1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.452 16.364 1.951 1.00 0.00 H new ATOM 748 N SER A 49 -1.983 15.988 0.021 1.00 0.00 N ATOM 749 CA SER A 49 -1.306 17.229 -0.334 1.00 0.00 C ATOM 750 C SER A 49 -0.936 17.242 -1.813 1.00 0.00 C ATOM 751 O SER A 49 -1.394 16.396 -2.579 1.00 0.00 O ATOM 752 CB SER A 49 -0.052 17.405 0.523 1.00 0.00 C ATOM 753 OG SER A 49 -0.274 18.344 1.561 1.00 0.00 O ATOM 0 H SER A 49 -2.921 16.117 0.400 1.00 0.00 H new ATOM 0 HA SER A 49 -1.988 18.058 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.238 16.446 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.776 17.738 -0.102 1.00 0.00 H new ATOM 0 HG SER A 49 0.451 19.004 1.566 1.00 0.00 H new ATOM 759 N TRP A 50 -0.099 18.201 -2.204 1.00 0.00 N ATOM 760 CA TRP A 50 0.338 18.314 -3.591 1.00 0.00 C ATOM 761 C TRP A 50 1.176 17.100 -3.978 1.00 0.00 C ATOM 762 O TRP A 50 2.384 17.204 -4.196 1.00 0.00 O ATOM 763 CB TRP A 50 1.145 19.600 -3.797 1.00 0.00 C ATOM 764 CG TRP A 50 2.346 19.705 -2.906 1.00 0.00 C ATOM 765 CD1 TRP A 50 2.361 20.057 -1.586 1.00 0.00 C ATOM 766 CD2 TRP A 50 3.712 19.461 -3.270 1.00 0.00 C ATOM 767 NE1 TRP A 50 3.648 20.044 -1.108 1.00 0.00 N ATOM 768 CE2 TRP A 50 4.496 19.681 -2.121 1.00 0.00 C ATOM 769 CE3 TRP A 50 4.345 19.076 -4.455 1.00 0.00 C ATOM 770 CZ2 TRP A 50 5.880 19.528 -2.125 1.00 0.00 C ATOM 771 CZ3 TRP A 50 5.720 18.925 -4.457 1.00 0.00 C ATOM 772 CH2 TRP A 50 6.473 19.151 -3.299 1.00 0.00 C ATOM 0 H TRP A 50 0.289 18.909 -1.580 1.00 0.00 H new ATOM 0 HA TRP A 50 -0.544 18.353 -4.230 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.469 19.653 -4.836 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.496 20.458 -3.621 1.00 0.00 H new ATOM 0 HD1 TRP A 50 1.487 20.309 -1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.928 20.268 -0.153 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.771 18.900 -5.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 6.464 19.701 -1.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 6.221 18.628 -5.367 1.00 0.00 H new ATOM 0 HH2 TRP A 50 7.545 19.025 -3.333 1.00 0.00 H new ATOM 783 N CYS A 51 0.524 15.947 -4.047 1.00 0.00 N ATOM 784 CA CYS A 51 1.190 14.702 -4.389 1.00 0.00 C ATOM 785 C CYS A 51 1.395 14.594 -5.901 1.00 0.00 C ATOM 786 O CYS A 51 0.433 14.459 -6.658 1.00 0.00 O ATOM 787 CB CYS A 51 0.362 13.517 -3.866 1.00 0.00 C ATOM 788 SG CYS A 51 0.646 11.929 -4.721 1.00 0.00 S ATOM 0 H CYS A 51 -0.476 15.851 -3.868 1.00 0.00 H new ATOM 0 HA CYS A 51 2.173 14.684 -3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.578 13.384 -2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.695 13.770 -3.946 1.00 0.00 H new ATOM 793 N GLY A 52 2.651 14.640 -6.338 1.00 0.00 N ATOM 794 CA GLY A 52 2.943 14.530 -7.758 1.00 0.00 C ATOM 795 C GLY A 52 3.173 13.096 -8.169 1.00 0.00 C ATOM 796 O GLY A 52 2.776 12.681 -9.257 1.00 0.00 O ATOM 0 H GLY A 52 3.468 14.751 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.116 14.946 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.826 15.123 -7.995 1.00 0.00 H new ATOM 800 N ALA A 53 3.804 12.327 -7.286 1.00 0.00 N ATOM 801 CA ALA A 53 4.068 10.919 -7.555 1.00 0.00 C ATOM 802 C ALA A 53 2.814 10.229 -8.050 1.00 0.00 C ATOM 803 O ALA A 53 2.881 9.249 -8.789 1.00 0.00 O ATOM 804 CB ALA A 53 4.601 10.230 -6.308 1.00 0.00 C ATOM 0 H ALA A 53 4.141 12.655 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 53 4.826 10.853 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.793 9.179 -6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.528 10.711 -5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.865 10.306 -5.508 1.00 0.00 H new ATOM 810 N CYS A 54 1.667 10.753 -7.651 1.00 0.00 N ATOM 811 CA CYS A 54 0.403 10.189 -8.065 1.00 0.00 C ATOM 812 C CYS A 54 -0.138 10.918 -9.288 1.00 0.00 C ATOM 813 O CYS A 54 -0.862 10.334 -10.098 1.00 0.00 O ATOM 814 CB CYS A 54 -0.613 10.244 -6.922 1.00 0.00 C ATOM 815 SG CYS A 54 -0.794 11.888 -6.156 1.00 0.00 S ATOM 0 H CYS A 54 1.590 11.567 -7.042 1.00 0.00 H new ATOM 0 HA CYS A 54 0.569 9.145 -8.331 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.584 9.923 -7.299 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.317 9.529 -6.154 1.00 0.00 H new ATOM 820 N LYS A 55 0.218 12.192 -9.430 1.00 0.00 N ATOM 821 CA LYS A 55 -0.239 12.976 -10.568 1.00 0.00 C ATOM 822 C LYS A 55 0.349 12.414 -11.858 1.00 0.00 C ATOM 823 O LYS A 55 -0.328 12.344 -12.883 1.00 0.00 O ATOM 824 CB LYS A 55 0.113 14.462 -10.394 1.00 0.00 C ATOM 825 CG LYS A 55 1.503 14.849 -10.878 1.00 0.00 C ATOM 826 CD LYS A 55 1.465 15.407 -12.293 1.00 0.00 C ATOM 827 CE LYS A 55 1.634 16.918 -12.305 1.00 0.00 C ATOM 828 NZ LYS A 55 2.947 17.333 -11.738 1.00 0.00 N ATOM 0 H LYS A 55 0.816 12.698 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.325 12.906 -10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.623 15.061 -10.931 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.026 14.720 -9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.930 15.592 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.156 13.977 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.255 14.947 -12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.518 15.143 -12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.548 17.285 -13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.829 17.378 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.248 18.227 -12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.855 17.465 -10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.656 16.597 -11.930 1.00 0.00 H new ATOM 842 N ALA A 56 1.604 11.980 -11.791 1.00 0.00 N ATOM 843 CA ALA A 56 2.264 11.388 -12.946 1.00 0.00 C ATOM 844 C ALA A 56 1.794 9.953 -13.140 1.00 0.00 C ATOM 845 O ALA A 56 2.012 9.360 -14.193 1.00 0.00 O ATOM 846 CB ALA A 56 3.776 11.436 -12.781 1.00 0.00 C ATOM 0 H ALA A 56 2.181 12.028 -10.951 1.00 0.00 H new ATOM 0 HA ALA A 56 1.999 11.965 -13.832 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.252 10.989 -13.654 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.099 12.473 -12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.062 10.881 -11.888 1.00 0.00 H new ATOM 852 N LEU A 57 1.146 9.407 -12.112 1.00 0.00 N ATOM 853 CA LEU A 57 0.640 8.043 -12.155 1.00 0.00 C ATOM 854 C LEU A 57 -0.774 7.986 -12.728 1.00 0.00 C ATOM 855 O LEU A 57 -1.240 6.927 -13.131 1.00 0.00 O ATOM 856 CB LEU A 57 0.654 7.437 -10.749 1.00 0.00 C ATOM 857 CG LEU A 57 1.968 6.761 -10.333 1.00 0.00 C ATOM 858 CD1 LEU A 57 3.171 7.525 -10.869 1.00 0.00 C ATOM 859 CD2 LEU A 57 2.042 6.647 -8.816 1.00 0.00 C ATOM 0 H LEU A 57 0.960 9.895 -11.236 1.00 0.00 H new ATOM 0 HA LEU A 57 1.292 7.466 -12.811 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.428 8.225 -10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.149 6.703 -10.681 1.00 0.00 H new ATOM 0 HG LEU A 57 1.988 5.760 -10.764 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.088 7.024 -10.559 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.126 7.558 -11.958 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.162 8.541 -10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.978 6.166 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.997 7.642 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.204 6.051 -8.455 1.00 0.00 H new ATOM 871 N LYS A 58 -1.464 9.121 -12.770 1.00 0.00 N ATOM 872 CA LYS A 58 -2.821 9.140 -13.307 1.00 0.00 C ATOM 873 C LYS A 58 -2.803 8.730 -14.780 1.00 0.00 C ATOM 874 O LYS A 58 -3.408 7.723 -15.160 1.00 0.00 O ATOM 875 CB LYS A 58 -3.483 10.516 -13.131 1.00 0.00 C ATOM 876 CG LYS A 58 -3.070 11.247 -11.859 1.00 0.00 C ATOM 877 CD LYS A 58 -3.678 12.639 -11.793 1.00 0.00 C ATOM 878 CE LYS A 58 -3.067 13.566 -12.831 1.00 0.00 C ATOM 879 NZ LYS A 58 -4.089 14.444 -13.464 1.00 0.00 N ATOM 0 H LYS A 58 -1.116 10.023 -12.446 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.418 8.422 -12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.237 11.138 -13.991 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.566 10.389 -13.129 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.384 10.670 -10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.983 11.321 -11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.755 12.574 -11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.526 13.056 -10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.301 14.182 -12.361 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.572 12.973 -13.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.631 15.060 -14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.807 13.857 -13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.544 15.029 -12.734 1.00 0.00 H new ATOM 893 N PRO A 59 -2.077 9.480 -15.632 1.00 0.00 N ATOM 894 CA PRO A 59 -1.965 9.163 -17.055 1.00 0.00 C ATOM 895 C PRO A 59 -1.020 7.992 -17.293 1.00 0.00 C ATOM 896 O PRO A 59 -1.079 7.327 -18.327 1.00 0.00 O ATOM 897 CB PRO A 59 -1.388 10.442 -17.650 1.00 0.00 C ATOM 898 CG PRO A 59 -0.560 11.011 -16.552 1.00 0.00 C ATOM 899 CD PRO A 59 -1.274 10.667 -15.271 1.00 0.00 C ATOM 0 HA PRO A 59 -2.917 8.866 -17.495 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.787 10.234 -18.536 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.176 11.131 -17.954 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.445 10.590 -16.563 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.455 12.090 -16.662 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.572 10.447 -14.467 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.903 11.489 -14.929 1.00 0.00 H new ATOM 907 N LYS A 60 -0.152 7.747 -16.316 1.00 0.00 N ATOM 908 CA LYS A 60 0.809 6.659 -16.395 1.00 0.00 C ATOM 909 C LYS A 60 0.188 5.367 -15.903 1.00 0.00 C ATOM 910 O LYS A 60 -0.063 4.447 -16.677 1.00 0.00 O ATOM 911 CB LYS A 60 2.038 6.977 -15.549 1.00 0.00 C ATOM 912 CG LYS A 60 2.844 5.747 -15.159 1.00 0.00 C ATOM 913 CD LYS A 60 3.552 5.149 -16.361 1.00 0.00 C ATOM 914 CE LYS A 60 4.529 6.142 -16.976 1.00 0.00 C ATOM 915 NZ LYS A 60 4.251 6.370 -18.420 1.00 0.00 N ATOM 0 H LYS A 60 -0.097 8.293 -15.456 1.00 0.00 H new ATOM 0 HA LYS A 60 1.105 6.542 -17.438 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.681 7.663 -16.101 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.722 7.496 -14.644 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.577 6.016 -14.399 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.183 5.002 -14.715 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.087 4.248 -16.060 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.816 4.849 -17.107 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.469 7.090 -16.441 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.547 5.772 -16.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.937 7.052 -18.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.333 5.470 -18.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.288 6.747 -18.533 1.00 0.00 H new ATOM 929 N PHE A 61 -0.050 5.311 -14.594 1.00 0.00 N ATOM 930 CA PHE A 61 -0.638 4.136 -13.975 1.00 0.00 C ATOM 931 C PHE A 61 -1.888 3.710 -14.722 1.00 0.00 C ATOM 932 O PHE A 61 -2.291 2.557 -14.641 1.00 0.00 O ATOM 933 CB PHE A 61 -0.936 4.388 -12.505 1.00 0.00 C ATOM 934 CG PHE A 61 -1.120 3.127 -11.709 1.00 0.00 C ATOM 935 CD1 PHE A 61 -0.023 2.380 -11.313 1.00 0.00 C ATOM 936 CD2 PHE A 61 -2.387 2.689 -11.361 1.00 0.00 C ATOM 937 CE1 PHE A 61 -0.186 1.218 -10.583 1.00 0.00 C ATOM 938 CE2 PHE A 61 -2.556 1.526 -10.631 1.00 0.00 C ATOM 939 CZ PHE A 61 -1.454 0.790 -10.242 1.00 0.00 C ATOM 0 H PHE A 61 0.158 6.070 -13.945 1.00 0.00 H new ATOM 0 HA PHE A 61 0.084 3.321 -14.031 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.121 4.967 -12.071 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.838 4.995 -12.424 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.971 2.709 -11.578 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.252 3.261 -11.663 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.678 0.645 -10.279 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.549 1.194 -10.366 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.584 -0.118 -9.672 1.00 0.00 H new ATOM 949 N ALA A 62 -2.474 4.620 -15.506 1.00 0.00 N ATOM 950 CA ALA A 62 -3.628 4.256 -16.311 1.00 0.00 C ATOM 951 C ALA A 62 -3.260 3.032 -17.161 1.00 0.00 C ATOM 952 O ALA A 62 -4.118 2.257 -17.584 1.00 0.00 O ATOM 953 CB ALA A 62 -4.050 5.426 -17.189 1.00 0.00 C ATOM 0 H ALA A 62 -2.172 5.590 -15.595 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.472 4.009 -15.668 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.915 5.139 -17.786 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.309 6.278 -16.560 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.228 5.700 -17.850 1.00 0.00 H new ATOM 959 N GLU A 63 -1.946 2.871 -17.363 1.00 0.00 N ATOM 960 CA GLU A 63 -1.361 1.760 -18.107 1.00 0.00 C ATOM 961 C GLU A 63 -1.437 0.473 -17.297 1.00 0.00 C ATOM 962 O GLU A 63 -1.221 -0.620 -17.820 1.00 0.00 O ATOM 963 CB GLU A 63 0.100 2.081 -18.445 1.00 0.00 C ATOM 964 CG GLU A 63 0.588 1.425 -19.724 1.00 0.00 C ATOM 965 CD GLU A 63 0.238 2.226 -20.962 1.00 0.00 C ATOM 966 OE1 GLU A 63 -0.879 2.045 -21.491 1.00 0.00 O ATOM 967 OE2 GLU A 63 1.080 3.036 -21.404 1.00 0.00 O ATOM 0 H GLU A 63 -1.250 3.525 -17.005 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.925 1.619 -19.029 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.214 3.161 -18.535 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.734 1.761 -17.618 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.669 1.297 -19.672 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.153 0.429 -19.806 1.00 0.00 H new ATOM 974 N SER A 64 -1.735 0.621 -16.011 1.00 0.00 N ATOM 975 CA SER A 64 -1.843 -0.497 -15.088 1.00 0.00 C ATOM 976 C SER A 64 -2.797 -1.580 -15.583 1.00 0.00 C ATOM 977 O SER A 64 -3.002 -2.572 -14.889 1.00 0.00 O ATOM 978 CB SER A 64 -2.312 0.005 -13.732 1.00 0.00 C ATOM 979 OG SER A 64 -1.265 0.657 -13.036 1.00 0.00 O ATOM 0 H SER A 64 -1.909 1.528 -15.579 1.00 0.00 H new ATOM 0 HA SER A 64 -0.853 -0.946 -15.010 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.147 0.693 -13.865 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.680 -0.832 -13.139 1.00 0.00 H new ATOM 0 HG SER A 64 -1.629 1.109 -12.246 1.00 0.00 H new ATOM 985 N THR A 65 -3.374 -1.414 -16.772 1.00 0.00 N ATOM 986 CA THR A 65 -4.275 -2.431 -17.309 1.00 0.00 C ATOM 987 C THR A 65 -3.631 -3.799 -17.132 1.00 0.00 C ATOM 988 O THR A 65 -4.293 -4.775 -16.779 1.00 0.00 O ATOM 989 CB THR A 65 -4.575 -2.171 -18.787 1.00 0.00 C ATOM 990 OG1 THR A 65 -3.456 -1.585 -19.434 1.00 0.00 O ATOM 991 CG2 THR A 65 -5.766 -1.262 -19.006 1.00 0.00 C ATOM 0 H THR A 65 -3.237 -0.601 -17.372 1.00 0.00 H new ATOM 0 HA THR A 65 -5.221 -2.394 -16.769 1.00 0.00 H new ATOM 0 HB THR A 65 -4.804 -3.149 -19.210 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.669 -1.429 -20.378 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.923 -1.119 -20.075 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.655 -1.714 -18.566 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.579 -0.297 -18.535 1.00 0.00 H new ATOM 999 N GLU A 66 -2.317 -3.837 -17.331 1.00 0.00 N ATOM 1000 CA GLU A 66 -1.549 -5.057 -17.146 1.00 0.00 C ATOM 1001 C GLU A 66 -1.271 -5.243 -15.669 1.00 0.00 C ATOM 1002 O GLU A 66 -1.208 -6.371 -15.178 1.00 0.00 O ATOM 1003 CB GLU A 66 -0.244 -5.011 -17.939 1.00 0.00 C ATOM 1004 CG GLU A 66 0.653 -3.851 -17.549 1.00 0.00 C ATOM 1005 CD GLU A 66 0.869 -2.869 -18.684 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.132 -2.427 -19.286 1.00 0.00 O ATOM 1007 OE2 GLU A 66 2.041 -2.544 -18.972 1.00 0.00 O ATOM 0 H GLU A 66 -1.763 -3.032 -17.622 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.126 -5.903 -17.519 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.297 -5.946 -17.790 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.475 -4.942 -19.002 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.214 -3.327 -16.700 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.618 -4.238 -17.221 1.00 0.00 H new ATOM 1014 N ILE A 67 -1.150 -4.131 -14.948 1.00 0.00 N ATOM 1015 CA ILE A 67 -0.934 -4.206 -13.518 1.00 0.00 C ATOM 1016 C ILE A 67 -2.198 -4.732 -12.843 1.00 0.00 C ATOM 1017 O ILE A 67 -2.163 -5.172 -11.693 1.00 0.00 O ATOM 1018 CB ILE A 67 -0.546 -2.840 -12.918 1.00 0.00 C ATOM 1019 CG1 ILE A 67 0.705 -2.294 -13.606 1.00 0.00 C ATOM 1020 CG2 ILE A 67 -0.319 -2.962 -11.417 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.066 -0.889 -13.174 1.00 0.00 C ATOM 0 H ILE A 67 -1.198 -3.186 -15.328 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.102 -4.887 -13.339 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.366 -2.142 -13.086 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.544 -2.957 -13.396 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.551 -2.306 -14.685 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.046 -1.988 -11.010 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.233 -3.312 -10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.485 -3.673 -11.227 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.963 -0.565 -13.702 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.243 -0.214 -13.409 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.252 -0.875 -12.100 1.00 0.00 H new ATOM 1033 N SER A 68 -3.316 -4.709 -13.581 1.00 0.00 N ATOM 1034 CA SER A 68 -4.578 -5.212 -13.063 1.00 0.00 C ATOM 1035 C SER A 68 -4.459 -6.707 -12.809 1.00 0.00 C ATOM 1036 O SER A 68 -5.065 -7.246 -11.883 1.00 0.00 O ATOM 1037 CB SER A 68 -5.714 -4.932 -14.049 1.00 0.00 C ATOM 1038 OG SER A 68 -6.893 -4.535 -13.369 1.00 0.00 O ATOM 0 H SER A 68 -3.364 -4.347 -14.534 1.00 0.00 H new ATOM 0 HA SER A 68 -4.807 -4.702 -12.127 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.411 -4.150 -14.745 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.915 -5.825 -14.641 1.00 0.00 H new ATOM 0 HG SER A 68 -7.604 -4.360 -14.021 1.00 0.00 H new ATOM 1044 N GLU A 69 -3.644 -7.366 -13.629 1.00 0.00 N ATOM 1045 CA GLU A 69 -3.407 -8.793 -13.489 1.00 0.00 C ATOM 1046 C GLU A 69 -2.293 -9.018 -12.481 1.00 0.00 C ATOM 1047 O GLU A 69 -2.376 -9.906 -11.631 1.00 0.00 O ATOM 1048 CB GLU A 69 -3.043 -9.417 -14.837 1.00 0.00 C ATOM 1049 CG GLU A 69 -3.954 -8.984 -15.974 1.00 0.00 C ATOM 1050 CD GLU A 69 -5.379 -9.466 -15.793 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -6.044 -9.012 -14.839 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -5.832 -10.299 -16.608 1.00 0.00 O ATOM 0 H GLU A 69 -3.137 -6.929 -14.399 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.319 -9.273 -13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.015 -9.152 -15.085 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.079 -10.503 -14.747 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.948 -7.896 -16.045 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.561 -9.367 -16.916 1.00 0.00 H new ATOM 1059 N LEU A 70 -1.260 -8.186 -12.564 1.00 0.00 N ATOM 1060 CA LEU A 70 -0.139 -8.277 -11.633 1.00 0.00 C ATOM 1061 C LEU A 70 -0.615 -8.040 -10.205 1.00 0.00 C ATOM 1062 O LEU A 70 0.066 -8.398 -9.247 1.00 0.00 O ATOM 1063 CB LEU A 70 0.937 -7.252 -11.975 1.00 0.00 C ATOM 1064 CG LEU A 70 1.902 -7.665 -13.085 1.00 0.00 C ATOM 1065 CD1 LEU A 70 2.037 -6.544 -14.100 1.00 0.00 C ATOM 1066 CD2 LEU A 70 3.261 -8.028 -12.502 1.00 0.00 C ATOM 0 H LEU A 70 -1.175 -7.446 -13.261 1.00 0.00 H new ATOM 0 HA LEU A 70 0.283 -9.279 -11.718 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.450 -6.322 -12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.514 -7.041 -11.075 1.00 0.00 H new ATOM 0 HG LEU A 70 1.502 -8.545 -13.589 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.727 -6.847 -14.888 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.061 -6.328 -14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.420 -5.651 -13.607 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.936 -8.320 -13.307 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.673 -7.167 -11.977 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.148 -8.858 -11.805 1.00 0.00 H new ATOM 1078 N SER A 71 -1.791 -7.423 -10.070 1.00 0.00 N ATOM 1079 CA SER A 71 -2.369 -7.118 -8.759 1.00 0.00 C ATOM 1080 C SER A 71 -2.253 -8.287 -7.785 1.00 0.00 C ATOM 1081 O SER A 71 -2.347 -8.098 -6.573 1.00 0.00 O ATOM 1082 CB SER A 71 -3.836 -6.734 -8.904 1.00 0.00 C ATOM 1083 OG SER A 71 -4.045 -5.371 -8.581 1.00 0.00 O ATOM 0 H SER A 71 -2.365 -7.123 -10.858 1.00 0.00 H new ATOM 0 HA SER A 71 -1.799 -6.283 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.164 -6.922 -9.926 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.445 -7.362 -8.253 1.00 0.00 H new ATOM 0 HG SER A 71 -4.995 -5.152 -8.685 1.00 0.00 H new ATOM 1089 N HIS A 72 -2.024 -9.489 -8.303 1.00 0.00 N ATOM 1090 CA HIS A 72 -1.868 -10.662 -7.454 1.00 0.00 C ATOM 1091 C HIS A 72 -0.753 -10.420 -6.441 1.00 0.00 C ATOM 1092 O HIS A 72 -0.613 -11.149 -5.461 1.00 0.00 O ATOM 1093 CB HIS A 72 -1.551 -11.898 -8.298 1.00 0.00 C ATOM 1094 CG HIS A 72 -2.741 -12.448 -9.020 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -3.807 -13.039 -8.374 1.00 0.00 N ATOM 1096 CD2 HIS A 72 -3.031 -12.497 -10.343 1.00 0.00 C ATOM 1097 CE1 HIS A 72 -4.700 -13.426 -9.268 1.00 0.00 C ATOM 1098 NE2 HIS A 72 -4.254 -13.107 -10.468 1.00 0.00 N ATOM 0 H HIS A 72 -1.943 -9.675 -9.303 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.804 -10.838 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.780 -11.644 -9.025 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.137 -12.673 -7.653 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.415 -12.125 -11.148 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.636 -13.920 -9.053 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.740 -13.285 -11.347 1.00 0.00 H new ATOM 1107 N ASN A 73 0.039 -9.381 -6.696 1.00 0.00 N ATOM 1108 CA ASN A 73 1.143 -9.020 -5.825 1.00 0.00 C ATOM 1109 C ASN A 73 0.634 -8.323 -4.561 1.00 0.00 C ATOM 1110 O ASN A 73 1.050 -8.649 -3.449 1.00 0.00 O ATOM 1111 CB ASN A 73 2.123 -8.112 -6.576 1.00 0.00 C ATOM 1112 CG ASN A 73 1.433 -7.015 -7.371 1.00 0.00 C ATOM 1113 OD1 ASN A 73 0.536 -6.338 -6.871 1.00 0.00 O ATOM 1114 ND2 ASN A 73 1.852 -6.832 -8.620 1.00 0.00 N ATOM 0 H ASN A 73 -0.069 -8.773 -7.508 1.00 0.00 H new ATOM 0 HA ASN A 73 1.660 -9.931 -5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.808 -7.657 -5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.725 -8.719 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.426 -6.109 -9.200 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.599 -7.415 -8.998 1.00 0.00 H new ATOM 1121 N PHE A 74 -0.260 -7.357 -4.748 1.00 0.00 N ATOM 1122 CA PHE A 74 -0.830 -6.596 -3.657 1.00 0.00 C ATOM 1123 C PHE A 74 -2.270 -6.213 -3.998 1.00 0.00 C ATOM 1124 O PHE A 74 -2.614 -6.104 -5.174 1.00 0.00 O ATOM 1125 CB PHE A 74 0.014 -5.355 -3.442 1.00 0.00 C ATOM 1126 CG PHE A 74 1.278 -5.619 -2.676 1.00 0.00 C ATOM 1127 CD1 PHE A 74 2.369 -6.199 -3.302 1.00 0.00 C ATOM 1128 CD2 PHE A 74 1.374 -5.296 -1.332 1.00 0.00 C ATOM 1129 CE1 PHE A 74 3.533 -6.452 -2.604 1.00 0.00 C ATOM 1130 CE2 PHE A 74 2.538 -5.546 -0.628 1.00 0.00 C ATOM 1131 CZ PHE A 74 3.619 -6.126 -1.265 1.00 0.00 C ATOM 0 H PHE A 74 -0.607 -7.084 -5.667 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.839 -7.190 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.268 -4.925 -4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.577 -4.611 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.308 -6.457 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.532 -4.845 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.376 -6.905 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.602 -5.288 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.528 -6.324 -0.717 1.00 0.00 H new ATOM 1141 N VAL A 75 -3.125 -6.024 -2.988 1.00 0.00 N ATOM 1142 CA VAL A 75 -4.521 -5.681 -3.266 1.00 0.00 C ATOM 1143 C VAL A 75 -4.945 -4.310 -2.728 1.00 0.00 C ATOM 1144 O VAL A 75 -4.315 -3.712 -1.863 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.506 -6.760 -2.742 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -5.680 -6.653 -1.232 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -6.868 -6.672 -3.454 1.00 0.00 C ATOM 0 H VAL A 75 -2.885 -6.100 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.573 -5.638 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.074 -7.735 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.375 -7.420 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.716 -6.794 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.074 -5.668 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.533 -7.442 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.307 -5.690 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.729 -6.822 -4.525 1.00 0.00 H new ATOM 1157 N MET A 76 -6.041 -3.868 -3.309 1.00 0.00 N ATOM 1158 CA MET A 76 -6.733 -2.608 -3.063 1.00 0.00 C ATOM 1159 C MET A 76 -6.797 -2.080 -1.623 1.00 0.00 C ATOM 1160 O MET A 76 -7.692 -2.460 -0.870 1.00 0.00 O ATOM 1161 CB MET A 76 -8.159 -2.879 -3.484 1.00 0.00 C ATOM 1162 CG MET A 76 -8.620 -4.291 -3.108 1.00 0.00 C ATOM 1163 SD MET A 76 -10.299 -4.375 -2.462 1.00 0.00 S ATOM 1164 CE MET A 76 -10.863 -5.915 -3.179 1.00 0.00 C ATOM 0 H MET A 76 -6.513 -4.421 -4.024 1.00 0.00 H new ATOM 0 HA MET A 76 -6.174 -1.842 -3.600 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.818 -2.148 -3.016 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.248 -2.745 -4.562 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.549 -4.930 -3.988 1.00 0.00 H new ATOM 0 HG3 MET A 76 -7.936 -4.698 -2.363 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.933 -5.854 -3.376 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.332 -6.097 -4.113 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.667 -6.733 -2.485 1.00 0.00 H new ATOM 1174 N VAL A 77 -5.926 -1.121 -1.280 1.00 0.00 N ATOM 1175 CA VAL A 77 -5.976 -0.484 0.042 1.00 0.00 C ATOM 1176 C VAL A 77 -5.403 0.927 0.002 1.00 0.00 C ATOM 1177 O VAL A 77 -4.537 1.284 0.797 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.248 -1.293 1.135 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -6.174 -1.567 2.309 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -4.704 -2.579 0.567 1.00 0.00 C ATOM 0 H VAL A 77 -5.187 -0.773 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.034 -0.445 0.303 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.409 -0.700 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.640 -2.139 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.510 -0.622 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.037 -2.137 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.194 -3.137 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.524 -3.178 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.000 -2.354 -0.234 1.00 0.00 H new ATOM 1190 N ASN A 78 -5.900 1.736 -0.915 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.435 3.108 -1.037 1.00 0.00 C ATOM 1192 C ASN A 78 -6.276 4.040 -0.176 1.00 0.00 C ATOM 1193 O ASN A 78 -7.486 4.164 -0.369 1.00 0.00 O ATOM 1194 CB ASN A 78 -5.460 3.544 -2.502 1.00 0.00 C ATOM 1195 CG ASN A 78 -6.033 4.933 -2.711 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -7.185 5.092 -3.118 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -5.226 5.943 -2.433 1.00 0.00 N ATOM 0 H ASN A 78 -6.622 1.470 -1.584 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.407 3.162 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.445 3.515 -2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.047 2.827 -3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.550 6.903 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.280 5.762 -2.098 1.00 0.00 H new ATOM 1204 N LEU A 79 -5.623 4.688 0.776 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.313 5.611 1.678 1.00 0.00 C ATOM 1206 C LEU A 79 -5.850 7.057 1.483 1.00 0.00 C ATOM 1207 O LEU A 79 -5.117 7.379 0.543 1.00 0.00 O ATOM 1208 CB LEU A 79 -6.104 5.199 3.139 1.00 0.00 C ATOM 1209 CG LEU A 79 -6.004 3.692 3.396 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -4.973 3.405 4.475 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -7.362 3.132 3.792 1.00 0.00 C ATOM 0 H LEU A 79 -4.622 4.596 0.948 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.374 5.559 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.193 5.673 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.929 5.596 3.731 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.684 3.203 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.914 2.330 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.999 3.775 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.265 3.903 5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.275 2.060 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.708 3.625 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.077 3.309 2.988 1.00 0.00 H new ATOM 1223 N GLU A 80 -6.291 7.919 2.395 1.00 0.00 N ATOM 1224 CA GLU A 80 -5.945 9.336 2.367 1.00 0.00 C ATOM 1225 C GLU A 80 -5.475 9.789 3.747 1.00 0.00 C ATOM 1226 O GLU A 80 -5.244 8.962 4.630 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.151 10.168 1.921 1.00 0.00 C ATOM 1228 CG GLU A 80 -6.822 11.195 0.850 1.00 0.00 C ATOM 1229 CD GLU A 80 -7.857 11.235 -0.256 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -9.055 11.395 0.058 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -7.472 11.106 -1.437 1.00 0.00 O ATOM 0 H GLU A 80 -6.897 7.655 3.172 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.135 9.484 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.924 9.498 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.568 10.681 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.747 12.181 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.846 10.968 0.421 1.00 0.00 H new ATOM 1238 N ASP A 81 -5.334 11.101 3.934 1.00 0.00 N ATOM 1239 CA ASP A 81 -4.891 11.651 5.217 1.00 0.00 C ATOM 1240 C ASP A 81 -5.616 10.980 6.383 1.00 0.00 C ATOM 1241 O ASP A 81 -4.986 10.484 7.317 1.00 0.00 O ATOM 1242 CB ASP A 81 -5.130 13.161 5.267 1.00 0.00 C ATOM 1243 CG ASP A 81 -3.954 13.914 5.858 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -3.288 13.362 6.760 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -3.697 15.055 5.421 1.00 0.00 O ATOM 0 H ASP A 81 -5.519 11.802 3.216 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.823 11.454 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.324 13.529 4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.023 13.365 5.858 1.00 0.00 H new ATOM 1250 N GLU A 82 -6.943 10.962 6.316 1.00 0.00 N ATOM 1251 CA GLU A 82 -7.749 10.347 7.361 1.00 0.00 C ATOM 1252 C GLU A 82 -8.130 8.917 6.975 1.00 0.00 C ATOM 1253 O GLU A 82 -7.390 7.978 7.263 1.00 0.00 O ATOM 1254 CB GLU A 82 -9.003 11.185 7.633 1.00 0.00 C ATOM 1255 CG GLU A 82 -8.719 12.488 8.359 1.00 0.00 C ATOM 1256 CD GLU A 82 -9.499 12.621 9.652 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -10.707 12.931 9.588 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -8.902 12.414 10.730 1.00 0.00 O ATOM 0 H GLU A 82 -7.481 11.366 5.550 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.157 10.308 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.494 11.407 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.703 10.595 8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.653 12.554 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.964 13.324 7.704 1.00 0.00 H new ATOM 1265 N GLU A 83 -9.279 8.758 6.315 1.00 0.00 N ATOM 1266 CA GLU A 83 -9.744 7.443 5.886 1.00 0.00 C ATOM 1267 C GLU A 83 -9.950 6.513 7.078 1.00 0.00 C ATOM 1268 O GLU A 83 -11.082 6.257 7.489 1.00 0.00 O ATOM 1269 CB GLU A 83 -8.747 6.823 4.902 1.00 0.00 C ATOM 1270 CG GLU A 83 -9.367 6.446 3.568 1.00 0.00 C ATOM 1271 CD GLU A 83 -9.295 7.571 2.553 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -9.660 8.713 2.905 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -8.875 7.310 1.407 1.00 0.00 O ATOM 0 H GLU A 83 -9.903 9.526 6.067 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.705 7.573 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.933 7.527 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.308 5.934 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.857 5.569 3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.409 6.166 3.722 1.00 0.00 H new ATOM 1280 N GLU A 84 -8.851 6.011 7.628 1.00 0.00 N ATOM 1281 CA GLU A 84 -8.911 5.109 8.772 1.00 0.00 C ATOM 1282 C GLU A 84 -7.687 5.274 9.676 1.00 0.00 C ATOM 1283 O GLU A 84 -7.830 5.543 10.869 1.00 0.00 O ATOM 1284 CB GLU A 84 -9.032 3.657 8.303 1.00 0.00 C ATOM 1285 CG GLU A 84 -10.274 2.953 8.828 1.00 0.00 C ATOM 1286 CD GLU A 84 -10.113 1.447 8.879 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -9.115 0.976 9.461 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -10.990 0.738 8.341 1.00 0.00 O ATOM 0 H GLU A 84 -7.907 6.213 7.300 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.796 5.367 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.044 3.635 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.148 3.105 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.502 3.324 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.124 3.202 8.193 1.00 0.00 H new ATOM 1295 N PRO A 85 -6.465 5.117 9.132 1.00 0.00 N ATOM 1296 CA PRO A 85 -5.237 5.255 9.920 1.00 0.00 C ATOM 1297 C PRO A 85 -5.021 6.685 10.402 1.00 0.00 C ATOM 1298 O PRO A 85 -5.666 7.617 9.923 1.00 0.00 O ATOM 1299 CB PRO A 85 -4.119 4.845 8.951 1.00 0.00 C ATOM 1300 CG PRO A 85 -4.807 4.178 7.807 1.00 0.00 C ATOM 1301 CD PRO A 85 -6.171 4.797 7.726 1.00 0.00 C ATOM 0 HA PRO A 85 -5.271 4.645 10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.552 5.714 8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.412 4.169 9.431 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.255 4.328 6.879 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.876 3.102 7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.175 5.688 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.904 4.108 7.306 1.00 0.00 H new ATOM 1309 N LYS A 86 -4.108 6.849 11.353 1.00 0.00 N ATOM 1310 CA LYS A 86 -3.801 8.164 11.902 1.00 0.00 C ATOM 1311 C LYS A 86 -2.451 8.146 12.610 1.00 0.00 C ATOM 1312 O LYS A 86 -2.352 8.463 13.796 1.00 0.00 O ATOM 1313 CB LYS A 86 -4.899 8.601 12.875 1.00 0.00 C ATOM 1314 CG LYS A 86 -5.135 10.104 12.890 1.00 0.00 C ATOM 1315 CD LYS A 86 -6.326 10.472 13.760 1.00 0.00 C ATOM 1316 CE LYS A 86 -6.065 11.742 14.553 1.00 0.00 C ATOM 1317 NZ LYS A 86 -5.649 11.448 15.952 1.00 0.00 N ATOM 0 H LYS A 86 -3.567 6.086 11.760 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.753 8.878 11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.829 8.098 12.610 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.634 8.273 13.880 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.243 10.610 13.260 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.303 10.457 11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.208 10.608 13.133 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.545 9.653 14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.288 12.325 14.058 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.966 12.355 14.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.481 12.340 16.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.400 10.913 16.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.775 10.885 15.943 1.00 0.00 H new ATOM 1331 N ASP A 87 -1.413 7.765 11.874 1.00 0.00 N ATOM 1332 CA ASP A 87 -0.068 7.694 12.430 1.00 0.00 C ATOM 1333 C ASP A 87 0.953 7.356 11.340 1.00 0.00 C ATOM 1334 O ASP A 87 0.728 7.635 10.163 1.00 0.00 O ATOM 1335 CB ASP A 87 -0.025 6.648 13.546 1.00 0.00 C ATOM 1336 CG ASP A 87 0.836 7.084 14.715 1.00 0.00 C ATOM 1337 OD1 ASP A 87 1.779 7.872 14.495 1.00 0.00 O ATOM 1338 OD2 ASP A 87 0.569 6.634 15.849 1.00 0.00 O ATOM 0 H ASP A 87 -1.478 7.501 10.891 1.00 0.00 H new ATOM 0 HA ASP A 87 0.192 8.668 12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.038 6.454 13.897 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.359 5.710 13.146 1.00 0.00 H new ATOM 1343 N GLU A 88 2.070 6.751 11.735 1.00 0.00 N ATOM 1344 CA GLU A 88 3.116 6.376 10.788 1.00 0.00 C ATOM 1345 C GLU A 88 2.569 5.499 9.659 1.00 0.00 C ATOM 1346 O GLU A 88 3.226 5.316 8.638 1.00 0.00 O ATOM 1347 CB GLU A 88 4.246 5.642 11.512 1.00 0.00 C ATOM 1348 CG GLU A 88 5.026 6.520 12.474 1.00 0.00 C ATOM 1349 CD GLU A 88 5.884 7.549 11.760 1.00 0.00 C ATOM 1350 OE1 GLU A 88 5.312 8.488 11.167 1.00 0.00 O ATOM 1351 OE2 GLU A 88 7.124 7.415 11.795 1.00 0.00 O ATOM 0 H GLU A 88 2.274 6.510 12.705 1.00 0.00 H new ATOM 0 HA GLU A 88 3.502 7.294 10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.826 4.799 12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.932 5.230 10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.330 7.031 13.139 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.662 5.893 13.099 1.00 0.00 H new ATOM 1358 N ASP A 89 1.371 4.951 9.851 1.00 0.00 N ATOM 1359 CA ASP A 89 0.753 4.088 8.848 1.00 0.00 C ATOM 1360 C ASP A 89 0.563 4.804 7.505 1.00 0.00 C ATOM 1361 O ASP A 89 0.299 4.157 6.494 1.00 0.00 O ATOM 1362 CB ASP A 89 -0.593 3.559 9.355 1.00 0.00 C ATOM 1363 CG ASP A 89 -0.443 2.287 10.172 1.00 0.00 C ATOM 1364 OD1 ASP A 89 -0.161 2.392 11.384 1.00 0.00 O ATOM 1365 OD2 ASP A 89 -0.609 1.183 9.600 1.00 0.00 O ATOM 0 H ASP A 89 0.810 5.089 10.691 1.00 0.00 H new ATOM 0 HA ASP A 89 1.432 3.252 8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.075 4.324 9.963 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.249 3.367 8.506 1.00 0.00 H new ATOM 1370 N PHE A 90 0.684 6.134 7.490 1.00 0.00 N ATOM 1371 CA PHE A 90 0.512 6.894 6.250 1.00 0.00 C ATOM 1372 C PHE A 90 1.846 7.425 5.713 1.00 0.00 C ATOM 1373 O PHE A 90 1.959 7.763 4.527 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.467 8.055 6.458 1.00 0.00 C ATOM 1375 CG PHE A 90 -0.218 8.854 7.708 1.00 0.00 C ATOM 1376 CD1 PHE A 90 0.988 9.507 7.904 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -1.198 8.955 8.684 1.00 0.00 C ATOM 1378 CE1 PHE A 90 1.214 10.248 9.049 1.00 0.00 C ATOM 1379 CE2 PHE A 90 -0.978 9.693 9.831 1.00 0.00 C ATOM 1380 CZ PHE A 90 0.230 10.341 10.014 1.00 0.00 C ATOM 0 H PHE A 90 0.898 6.700 8.311 1.00 0.00 H new ATOM 0 HA PHE A 90 0.103 6.208 5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.411 8.721 5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.482 7.659 6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.761 9.436 7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.143 8.451 8.546 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.158 10.753 9.189 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.749 9.764 10.584 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.404 10.919 10.910 1.00 0.00 H new ATOM 1390 N SER A 91 2.854 7.495 6.581 1.00 0.00 N ATOM 1391 CA SER A 91 4.171 7.984 6.182 1.00 0.00 C ATOM 1392 C SER A 91 5.239 7.599 7.205 1.00 0.00 C ATOM 1393 O SER A 91 5.780 8.456 7.904 1.00 0.00 O ATOM 1394 CB SER A 91 4.142 9.504 6.006 1.00 0.00 C ATOM 1395 OG SER A 91 2.969 9.917 5.325 1.00 0.00 O ATOM 0 H SER A 91 2.784 7.220 7.561 1.00 0.00 H new ATOM 0 HA SER A 91 4.426 7.517 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.189 9.987 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.022 9.825 5.449 1.00 0.00 H new ATOM 0 HG SER A 91 2.714 9.235 4.670 1.00 0.00 H new ATOM 1401 N PRO A 92 5.563 6.298 7.303 1.00 0.00 N ATOM 1402 CA PRO A 92 6.572 5.807 8.238 1.00 0.00 C ATOM 1403 C PRO A 92 7.986 5.976 7.695 1.00 0.00 C ATOM 1404 O PRO A 92 8.252 5.677 6.531 1.00 0.00 O ATOM 1405 CB PRO A 92 6.221 4.329 8.368 1.00 0.00 C ATOM 1406 CG PRO A 92 5.647 3.963 7.042 1.00 0.00 C ATOM 1407 CD PRO A 92 4.973 5.204 6.509 1.00 0.00 C ATOM 0 HA PRO A 92 6.565 6.349 9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.103 3.731 8.598 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.503 4.161 9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.428 3.623 6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.933 3.146 7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.164 5.336 5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.891 5.157 6.636 1.00 0.00 H new ATOM 1415 N ASP A 93 8.889 6.456 8.541 1.00 0.00 N ATOM 1416 CA ASP A 93 10.278 6.668 8.142 1.00 0.00 C ATOM 1417 C ASP A 93 10.390 7.807 7.131 1.00 0.00 C ATOM 1418 O ASP A 93 11.350 7.876 6.365 1.00 0.00 O ATOM 1419 CB ASP A 93 10.864 5.384 7.543 1.00 0.00 C ATOM 1420 CG ASP A 93 12.320 5.186 7.917 1.00 0.00 C ATOM 1421 OD1 ASP A 93 13.121 6.119 7.701 1.00 0.00 O ATOM 1422 OD2 ASP A 93 12.660 4.096 8.425 1.00 0.00 O ATOM 0 H ASP A 93 8.686 6.706 9.509 1.00 0.00 H new ATOM 0 HA ASP A 93 10.844 6.939 9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.283 4.528 7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.771 5.417 6.457 1.00 0.00 H new ATOM 1427 N GLY A 94 9.401 8.697 7.135 1.00 0.00 N ATOM 1428 CA GLY A 94 9.412 9.818 6.214 1.00 0.00 C ATOM 1429 C GLY A 94 8.415 10.892 6.598 1.00 0.00 C ATOM 1430 O GLY A 94 7.339 10.592 7.118 1.00 0.00 O ATOM 0 H GLY A 94 8.594 8.661 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.413 10.249 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.188 9.461 5.209 1.00 0.00 H new ATOM 1434 N GLY A 95 8.772 12.146 6.344 1.00 0.00 N ATOM 1435 CA GLY A 95 7.889 13.250 6.674 1.00 0.00 C ATOM 1436 C GLY A 95 6.868 13.535 5.588 1.00 0.00 C ATOM 1437 O GLY A 95 5.999 14.391 5.758 1.00 0.00 O ATOM 0 H GLY A 95 9.657 12.418 5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.369 13.026 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.485 14.146 6.849 1.00 0.00 H new ATOM 1441 N TYR A 96 6.967 12.822 4.468 1.00 0.00 N ATOM 1442 CA TYR A 96 6.038 13.012 3.358 1.00 0.00 C ATOM 1443 C TYR A 96 4.590 12.869 3.828 1.00 0.00 C ATOM 1444 O TYR A 96 4.338 12.438 4.953 1.00 0.00 O ATOM 1445 CB TYR A 96 6.335 12.014 2.238 1.00 0.00 C ATOM 1446 CG TYR A 96 6.280 10.569 2.681 1.00 0.00 C ATOM 1447 CD1 TYR A 96 7.388 9.952 3.250 1.00 0.00 C ATOM 1448 CD2 TYR A 96 5.120 9.825 2.531 1.00 0.00 C ATOM 1449 CE1 TYR A 96 7.336 8.631 3.657 1.00 0.00 C ATOM 1450 CE2 TYR A 96 5.061 8.503 2.931 1.00 0.00 C ATOM 1451 CZ TYR A 96 6.171 7.911 3.492 1.00 0.00 C ATOM 1452 OH TYR A 96 6.114 6.599 3.901 1.00 0.00 O ATOM 0 H TYR A 96 7.679 12.110 4.306 1.00 0.00 H new ATOM 0 HA TYR A 96 6.172 14.022 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.619 12.165 1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.324 12.222 1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.303 10.512 3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.247 10.286 2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.203 8.166 4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.150 7.938 2.804 1.00 0.00 H new ATOM 0 HH TYR A 96 6.744 6.064 3.374 1.00 0.00 H new ATOM 1462 N ILE A 97 3.646 13.245 2.969 1.00 0.00 N ATOM 1463 CA ILE A 97 2.230 13.170 3.318 1.00 0.00 C ATOM 1464 C ILE A 97 1.340 12.984 2.053 1.00 0.00 C ATOM 1465 O ILE A 97 0.695 14.002 1.797 1.00 0.00 O ATOM 1466 CB ILE A 97 1.788 14.455 4.037 1.00 0.00 C ATOM 1467 CG1 ILE A 97 2.324 15.665 3.284 1.00 0.00 C ATOM 1468 CG2 ILE A 97 2.266 14.464 5.479 1.00 0.00 C ATOM 1469 CD1 ILE A 97 1.315 16.776 3.136 1.00 0.00 C ATOM 0 H ILE A 97 3.834 13.602 2.032 1.00 0.00 H new ATOM 0 HA ILE A 97 2.105 12.308 3.973 1.00 0.00 H new ATOM 0 HB ILE A 97 0.699 14.495 4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.201 16.048 3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.654 15.350 2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.940 15.384 5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.847 13.607 6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.354 14.408 5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.765 17.605 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.447 16.409 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.003 17.118 4.123 1.00 0.00 H new ATOM 1481 N PRO A 98 0.632 11.823 2.057 1.00 0.00 N ATOM 1482 CA PRO A 98 0.903 10.364 2.281 1.00 0.00 C ATOM 1483 C PRO A 98 1.373 9.712 0.991 1.00 0.00 C ATOM 1484 O PRO A 98 1.055 10.199 -0.099 1.00 0.00 O ATOM 1485 CB PRO A 98 -0.437 9.781 2.699 1.00 0.00 C ATOM 1486 CG PRO A 98 -0.815 10.788 3.651 1.00 0.00 C ATOM 1487 CD PRO A 98 0.378 11.685 3.563 1.00 0.00 C ATOM 0 HA PRO A 98 1.680 10.199 3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.140 9.697 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.348 8.790 3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.740 11.296 3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.959 10.382 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.184 12.653 4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 98 1.239 11.255 4.075 1.00 0.00 H new ATOM 1495 N ARG A 99 2.143 8.630 1.118 1.00 0.00 N ATOM 1496 CA ARG A 99 2.681 7.920 -0.042 1.00 0.00 C ATOM 1497 C ARG A 99 2.268 6.450 -0.041 1.00 0.00 C ATOM 1498 O ARG A 99 1.397 6.032 0.721 1.00 0.00 O ATOM 1499 CB ARG A 99 4.205 8.029 -0.073 1.00 0.00 C ATOM 1500 CG ARG A 99 4.731 9.101 -1.008 1.00 0.00 C ATOM 1501 CD ARG A 99 4.240 10.486 -0.624 1.00 0.00 C ATOM 1502 NE ARG A 99 4.076 11.352 -1.789 1.00 0.00 N ATOM 1503 CZ ARG A 99 3.972 12.677 -1.720 1.00 0.00 C ATOM 1504 NH1 ARG A 99 4.006 13.291 -0.545 1.00 0.00 N ATOM 1505 NH2 ARG A 99 3.832 13.388 -2.830 1.00 0.00 N ATOM 0 H ARG A 99 2.408 8.226 2.016 1.00 0.00 H new ATOM 0 HA ARG A 99 2.267 8.389 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.564 8.234 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.621 7.067 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.821 9.088 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.419 8.876 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.288 10.401 -0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.947 10.942 0.070 1.00 0.00 H new ATOM 0 HE ARG A 99 4.039 10.915 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.112 12.747 0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.926 14.307 -0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.804 12.920 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.752 14.404 -2.778 1.00 0.00 H new ATOM 1519 N ILE A 100 2.906 5.678 -0.917 1.00 0.00 N ATOM 1520 CA ILE A 100 2.627 4.251 -1.053 1.00 0.00 C ATOM 1521 C ILE A 100 3.329 3.442 0.032 1.00 0.00 C ATOM 1522 O ILE A 100 4.554 3.471 0.150 1.00 0.00 O ATOM 1523 CB ILE A 100 3.070 3.731 -2.434 1.00 0.00 C ATOM 1524 CG1 ILE A 100 2.448 4.582 -3.541 1.00 0.00 C ATOM 1525 CG2 ILE A 100 2.690 2.264 -2.603 1.00 0.00 C ATOM 1526 CD1 ILE A 100 3.337 5.711 -4.009 1.00 0.00 C ATOM 0 H ILE A 100 3.628 6.022 -1.550 1.00 0.00 H new ATOM 0 HA ILE A 100 1.549 4.126 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 100 4.155 3.809 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.211 3.941 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.506 4.997 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.011 1.916 -3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.178 1.670 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.609 2.156 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.830 6.271 -4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.553 6.375 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.269 5.302 -4.398 1.00 0.00 H new ATOM 1538 N LEU A 101 2.541 2.723 0.826 1.00 0.00 N ATOM 1539 CA LEU A 101 3.079 1.907 1.912 1.00 0.00 C ATOM 1540 C LEU A 101 2.660 0.448 1.771 1.00 0.00 C ATOM 1541 O LEU A 101 1.484 0.149 1.563 1.00 0.00 O ATOM 1542 CB LEU A 101 2.588 2.441 3.259 1.00 0.00 C ATOM 1543 CG LEU A 101 3.281 3.707 3.767 1.00 0.00 C ATOM 1544 CD1 LEU A 101 3.428 4.734 2.659 1.00 0.00 C ATOM 1545 CD2 LEU A 101 2.499 4.301 4.922 1.00 0.00 C ATOM 0 H LEU A 101 1.525 2.688 0.738 1.00 0.00 H new ATOM 0 HA LEU A 101 4.166 1.963 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.519 2.641 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.712 1.657 4.006 1.00 0.00 H new ATOM 0 HG LEU A 101 4.278 3.431 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.924 5.623 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.024 4.313 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.442 5.005 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.001 5.202 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.493 4.554 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.441 3.575 5.733 1.00 0.00 H new ATOM 1557 N PHE A 102 3.623 -0.460 1.905 1.00 0.00 N ATOM 1558 CA PHE A 102 3.340 -1.885 1.813 1.00 0.00 C ATOM 1559 C PHE A 102 3.321 -2.502 3.212 1.00 0.00 C ATOM 1560 O PHE A 102 4.162 -2.171 4.052 1.00 0.00 O ATOM 1561 CB PHE A 102 4.391 -2.571 0.943 1.00 0.00 C ATOM 1562 CG PHE A 102 4.545 -1.954 -0.423 1.00 0.00 C ATOM 1563 CD1 PHE A 102 4.990 -0.648 -0.566 1.00 0.00 C ATOM 1564 CD2 PHE A 102 4.246 -2.682 -1.563 1.00 0.00 C ATOM 1565 CE1 PHE A 102 5.132 -0.083 -1.819 1.00 0.00 C ATOM 1566 CE2 PHE A 102 4.387 -2.121 -2.819 1.00 0.00 C ATOM 1567 CZ PHE A 102 4.830 -0.820 -2.946 1.00 0.00 C ATOM 0 H PHE A 102 4.602 -0.233 2.077 1.00 0.00 H new ATOM 0 HA PHE A 102 2.362 -2.027 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 102 5.352 -2.539 1.457 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.125 -3.622 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.228 -0.066 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 102 3.898 -3.700 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.479 0.935 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 102 4.151 -2.700 -3.699 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.940 -0.379 -3.926 1.00 0.00 H new ATOM 1577 N LEU A 103 2.351 -3.375 3.481 1.00 0.00 N ATOM 1578 CA LEU A 103 2.253 -3.987 4.805 1.00 0.00 C ATOM 1579 C LEU A 103 1.817 -5.444 4.749 1.00 0.00 C ATOM 1580 O LEU A 103 1.644 -6.022 3.675 1.00 0.00 O ATOM 1581 CB LEU A 103 1.290 -3.200 5.694 1.00 0.00 C ATOM 1582 CG LEU A 103 0.284 -2.305 4.964 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -0.833 -1.873 5.895 1.00 0.00 C ATOM 1584 CD2 LEU A 103 0.974 -1.095 4.349 1.00 0.00 C ATOM 0 H LEU A 103 1.636 -3.670 2.816 1.00 0.00 H new ATOM 0 HA LEU A 103 3.256 -3.959 5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.736 -3.907 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.877 -2.578 6.370 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.156 -2.888 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.534 -1.238 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.355 -2.753 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.413 -1.316 6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.237 -0.477 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.454 -0.512 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.726 -1.429 3.634 1.00 0.00 H new ATOM 1596 N ASP A 104 1.650 -6.028 5.935 1.00 0.00 N ATOM 1597 CA ASP A 104 1.243 -7.422 6.059 1.00 0.00 C ATOM 1598 C ASP A 104 -0.251 -7.595 5.797 1.00 0.00 C ATOM 1599 O ASP A 104 -1.056 -6.714 6.123 1.00 0.00 O ATOM 1600 CB ASP A 104 1.590 -7.951 7.452 1.00 0.00 C ATOM 1601 CG ASP A 104 3.003 -8.496 7.525 1.00 0.00 C ATOM 1602 OD1 ASP A 104 3.495 -9.009 6.498 1.00 0.00 O ATOM 1603 OD2 ASP A 104 3.616 -8.412 8.610 1.00 0.00 O ATOM 0 H ASP A 104 1.792 -5.552 6.826 1.00 0.00 H new ATOM 0 HA ASP A 104 1.787 -7.994 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.474 -7.150 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.885 -8.736 7.726 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.640 -8.747 5.207 1.00 0.00 N ATOM 1609 CA PRO A 105 -2.040 -9.058 4.893 1.00 0.00 C ATOM 1610 C PRO A 105 -2.963 -8.881 6.091 1.00 0.00 C ATOM 1611 O PRO A 105 -3.138 -9.796 6.894 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.995 -10.528 4.473 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.609 -10.734 3.970 1.00 0.00 C ATOM 1614 CD PRO A 105 0.267 -9.837 4.799 1.00 0.00 C ATOM 0 HA PRO A 105 -2.437 -8.391 4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.214 -11.187 5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.733 -10.742 3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.308 -11.777 4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.536 -10.482 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.676 -10.362 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.113 -9.461 4.224 1.00 0.00 H new ATOM 1622 N SER A 106 -3.551 -7.692 6.196 1.00 0.00 N ATOM 1623 CA SER A 106 -4.467 -7.362 7.288 1.00 0.00 C ATOM 1624 C SER A 106 -4.577 -5.851 7.441 1.00 0.00 C ATOM 1625 O SER A 106 -5.594 -5.332 7.904 1.00 0.00 O ATOM 1626 CB SER A 106 -4.000 -7.977 8.611 1.00 0.00 C ATOM 1627 OG SER A 106 -2.589 -7.910 8.733 1.00 0.00 O ATOM 0 H SER A 106 -3.408 -6.932 5.531 1.00 0.00 H new ATOM 0 HA SER A 106 -5.444 -7.778 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.466 -7.452 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.324 -9.016 8.668 1.00 0.00 H new ATOM 0 HG SER A 106 -2.315 -8.308 9.586 1.00 0.00 H new ATOM 1633 N GLY A 107 -3.515 -5.150 7.055 1.00 0.00 N ATOM 1634 CA GLY A 107 -3.498 -3.707 7.158 1.00 0.00 C ATOM 1635 C GLY A 107 -2.517 -3.231 8.208 1.00 0.00 C ATOM 1636 O GLY A 107 -2.809 -2.308 8.966 1.00 0.00 O ATOM 0 H GLY A 107 -2.664 -5.561 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.234 -3.277 6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.497 -3.348 7.405 1.00 0.00 H new ATOM 1640 N LYS A 108 -1.349 -3.870 8.257 1.00 0.00 N ATOM 1641 CA LYS A 108 -0.329 -3.503 9.237 1.00 0.00 C ATOM 1642 C LYS A 108 0.887 -2.840 8.582 1.00 0.00 C ATOM 1643 O LYS A 108 1.906 -3.495 8.355 1.00 0.00 O ATOM 1644 CB LYS A 108 0.113 -4.740 10.023 1.00 0.00 C ATOM 1645 CG LYS A 108 -0.410 -4.772 11.452 1.00 0.00 C ATOM 1646 CD LYS A 108 0.722 -4.689 12.463 1.00 0.00 C ATOM 1647 CE LYS A 108 0.455 -5.571 13.671 1.00 0.00 C ATOM 1648 NZ LYS A 108 1.096 -6.908 13.536 1.00 0.00 N ATOM 0 H LYS A 108 -1.087 -4.636 7.637 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.775 -2.776 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.228 -5.634 9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.202 -4.778 10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.099 -3.942 11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.976 -5.690 11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.657 -4.991 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.848 -3.656 12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.828 -5.079 14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.620 -5.695 13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.890 -7.479 14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.722 -7.389 12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.125 -6.792 13.440 1.00 0.00 H new ATOM 1662 N VAL A 109 0.773 -1.536 8.290 1.00 0.00 N ATOM 1663 CA VAL A 109 1.850 -0.772 7.683 1.00 0.00 C ATOM 1664 C VAL A 109 3.197 -1.119 8.293 1.00 0.00 C ATOM 1665 O VAL A 109 3.464 -0.824 9.458 1.00 0.00 O ATOM 1666 CB VAL A 109 1.600 0.737 7.840 1.00 0.00 C ATOM 1667 CG1 VAL A 109 2.784 1.518 7.320 1.00 0.00 C ATOM 1668 CG2 VAL A 109 0.324 1.152 7.123 1.00 0.00 C ATOM 0 H VAL A 109 -0.070 -0.991 8.471 1.00 0.00 H new ATOM 0 HA VAL A 109 1.869 -1.033 6.625 1.00 0.00 H new ATOM 0 HB VAL A 109 1.476 0.958 8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.595 2.585 7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.676 1.244 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.936 1.289 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.168 2.224 7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.411 0.920 6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.523 0.611 7.545 1.00 0.00 H new ATOM 1678 N HIS A 110 4.046 -1.727 7.484 1.00 0.00 N ATOM 1679 CA HIS A 110 5.376 -2.099 7.919 1.00 0.00 C ATOM 1680 C HIS A 110 6.404 -1.479 6.987 1.00 0.00 C ATOM 1681 O HIS A 110 6.296 -1.610 5.768 1.00 0.00 O ATOM 1682 CB HIS A 110 5.530 -3.621 7.937 1.00 0.00 C ATOM 1683 CG HIS A 110 6.461 -4.113 9.000 1.00 0.00 C ATOM 1684 ND1 HIS A 110 7.820 -4.239 8.811 1.00 0.00 N ATOM 1685 CD2 HIS A 110 6.222 -4.508 10.274 1.00 0.00 C ATOM 1686 CE1 HIS A 110 8.378 -4.691 9.921 1.00 0.00 C ATOM 1687 NE2 HIS A 110 7.430 -4.861 10.824 1.00 0.00 N ATOM 0 H HIS A 110 3.834 -1.974 6.517 1.00 0.00 H new ATOM 0 HA HIS A 110 5.535 -1.728 8.932 1.00 0.00 H new ATOM 0 HB2 HIS A 110 4.550 -4.076 8.084 1.00 0.00 H new ATOM 0 HB3 HIS A 110 5.893 -3.953 6.964 1.00 0.00 H new ATOM 0 HD2 HIS A 110 5.261 -4.539 10.765 1.00 0.00 H new ATOM 0 HE1 HIS A 110 9.430 -4.888 10.065 1.00 0.00 H new ATOM 0 HE2 HIS A 110 7.572 -5.200 11.776 1.00 0.00 H new ATOM 1696 N PRO A 111 7.415 -0.790 7.533 1.00 0.00 N ATOM 1697 CA PRO A 111 8.454 -0.153 6.719 1.00 0.00 C ATOM 1698 C PRO A 111 9.345 -1.179 6.028 1.00 0.00 C ATOM 1699 O PRO A 111 10.556 -0.987 5.915 1.00 0.00 O ATOM 1700 CB PRO A 111 9.256 0.663 7.734 1.00 0.00 C ATOM 1701 CG PRO A 111 9.018 -0.011 9.040 1.00 0.00 C ATOM 1702 CD PRO A 111 7.626 -0.571 8.973 1.00 0.00 C ATOM 0 HA PRO A 111 8.034 0.450 5.914 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.317 0.674 7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 111 8.923 1.701 7.758 1.00 0.00 H new ATOM 0 HG2 PRO A 111 9.748 -0.802 9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.115 0.694 9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.539 -1.499 9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 111 6.894 0.123 9.385 1.00 0.00 H new ATOM 1710 N GLU A 112 8.738 -2.269 5.564 1.00 0.00 N ATOM 1711 CA GLU A 112 9.477 -3.322 4.878 1.00 0.00 C ATOM 1712 C GLU A 112 9.620 -2.987 3.399 1.00 0.00 C ATOM 1713 O GLU A 112 10.704 -2.637 2.933 1.00 0.00 O ATOM 1714 CB GLU A 112 8.771 -4.669 5.050 1.00 0.00 C ATOM 1715 CG GLU A 112 9.700 -5.790 5.489 1.00 0.00 C ATOM 1716 CD GLU A 112 9.532 -7.047 4.660 1.00 0.00 C ATOM 1717 OE1 GLU A 112 8.487 -7.717 4.802 1.00 0.00 O ATOM 1718 OE2 GLU A 112 10.443 -7.362 3.865 1.00 0.00 O ATOM 0 H GLU A 112 7.737 -2.445 5.651 1.00 0.00 H new ATOM 0 HA GLU A 112 10.471 -3.393 5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.973 -4.561 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.300 -4.946 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.733 -5.449 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.512 -6.023 6.537 1.00 0.00 H new ATOM 1725 N ILE A 113 8.514 -3.079 2.671 1.00 0.00 N ATOM 1726 CA ILE A 113 8.514 -2.767 1.250 1.00 0.00 C ATOM 1727 C ILE A 113 8.076 -1.322 1.029 1.00 0.00 C ATOM 1728 O ILE A 113 6.937 -0.944 1.335 1.00 0.00 O ATOM 1729 CB ILE A 113 7.600 -3.725 0.459 1.00 0.00 C ATOM 1730 CG1 ILE A 113 7.996 -5.178 0.733 1.00 0.00 C ATOM 1731 CG2 ILE A 113 7.668 -3.420 -1.031 1.00 0.00 C ATOM 1732 CD1 ILE A 113 9.347 -5.556 0.166 1.00 0.00 C ATOM 0 H ILE A 113 7.608 -3.367 3.041 1.00 0.00 H new ATOM 0 HA ILE A 113 9.531 -2.896 0.881 1.00 0.00 H new ATOM 0 HB ILE A 113 6.571 -3.578 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.003 -5.347 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.237 -5.838 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.017 -4.106 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.343 -2.395 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.693 -3.541 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.560 -6.599 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.339 -5.420 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.117 -4.921 0.605 1.00 0.00 H new ATOM 1744 N ILE A 114 9.004 -0.515 0.525 1.00 0.00 N ATOM 1745 CA ILE A 114 8.752 0.899 0.282 1.00 0.00 C ATOM 1746 C ILE A 114 8.760 1.236 -1.207 1.00 0.00 C ATOM 1747 O ILE A 114 7.817 1.842 -1.716 1.00 0.00 O ATOM 1748 CB ILE A 114 9.793 1.773 1.007 1.00 0.00 C ATOM 1749 CG1 ILE A 114 11.219 1.367 0.603 1.00 0.00 C ATOM 1750 CG2 ILE A 114 9.604 1.669 2.513 1.00 0.00 C ATOM 1751 CD1 ILE A 114 12.260 1.582 1.685 1.00 0.00 C ATOM 0 H ILE A 114 9.945 -0.821 0.275 1.00 0.00 H new ATOM 0 HA ILE A 114 7.758 1.112 0.675 1.00 0.00 H new ATOM 0 HB ILE A 114 9.645 2.812 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.218 0.314 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.509 1.934 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.345 2.290 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.603 2.010 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.728 0.632 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.237 1.270 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.294 2.638 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.998 0.993 2.564 1.00 0.00 H new ATOM 1763 N ASN A 115 9.828 0.847 -1.900 1.00 0.00 N ATOM 1764 CA ASN A 115 9.960 1.115 -3.330 1.00 0.00 C ATOM 1765 C ASN A 115 11.351 0.719 -3.816 1.00 0.00 C ATOM 1766 O ASN A 115 11.497 0.032 -4.828 1.00 0.00 O ATOM 1767 CB ASN A 115 9.694 2.600 -3.625 1.00 0.00 C ATOM 1768 CG ASN A 115 10.009 2.981 -5.060 1.00 0.00 C ATOM 1769 OD1 ASN A 115 10.344 2.129 -5.883 1.00 0.00 O ATOM 1770 ND2 ASN A 115 9.898 4.269 -5.370 1.00 0.00 N ATOM 0 H ASN A 115 10.616 0.344 -1.493 1.00 0.00 H new ATOM 0 HA ASN A 115 9.221 0.518 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.648 2.826 -3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 115 10.293 3.212 -2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 115 10.093 4.583 -6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.617 4.943 -4.657 1.00 0.00 H new ATOM 1777 N GLU A 116 12.368 1.153 -3.082 1.00 0.00 N ATOM 1778 CA GLU A 116 13.754 0.848 -3.422 1.00 0.00 C ATOM 1779 C GLU A 116 14.077 1.254 -4.858 1.00 0.00 C ATOM 1780 O GLU A 116 14.976 0.693 -5.483 1.00 0.00 O ATOM 1781 CB GLU A 116 14.029 -0.645 -3.227 1.00 0.00 C ATOM 1782 CG GLU A 116 14.590 -0.983 -1.858 1.00 0.00 C ATOM 1783 CD GLU A 116 16.024 -0.522 -1.683 1.00 0.00 C ATOM 1784 OE1 GLU A 116 16.230 0.659 -1.334 1.00 0.00 O ATOM 1785 OE2 GLU A 116 16.942 -1.342 -1.898 1.00 0.00 O ATOM 0 H GLU A 116 12.259 1.721 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 116 14.396 1.423 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.103 -1.200 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.730 -0.980 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.968 -0.521 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.538 -2.061 -1.705 1.00 0.00 H new ATOM 1792 N ASN A 117 13.341 2.234 -5.374 1.00 0.00 N ATOM 1793 CA ASN A 117 13.556 2.713 -6.735 1.00 0.00 C ATOM 1794 C ASN A 117 13.646 4.236 -6.775 1.00 0.00 C ATOM 1795 O ASN A 117 14.425 4.800 -7.543 1.00 0.00 O ATOM 1796 CB ASN A 117 12.431 2.236 -7.653 1.00 0.00 C ATOM 1797 CG ASN A 117 12.853 2.201 -9.110 1.00 0.00 C ATOM 1798 OD1 ASN A 117 12.274 2.889 -9.951 1.00 0.00 O ATOM 1799 ND2 ASN A 117 13.867 1.400 -9.413 1.00 0.00 N ATOM 0 H ASN A 117 12.592 2.711 -4.871 1.00 0.00 H new ATOM 0 HA ASN A 117 14.503 2.303 -7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.112 1.240 -7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.570 2.895 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.196 1.336 -10.376 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.317 0.848 -8.683 1.00 0.00 H new ATOM 1806 N GLY A 118 12.844 4.897 -5.944 1.00 0.00 N ATOM 1807 CA GLY A 118 12.852 6.347 -5.904 1.00 0.00 C ATOM 1808 C GLY A 118 14.187 6.908 -5.460 1.00 0.00 C ATOM 1809 O GLY A 118 15.241 6.421 -5.870 1.00 0.00 O ATOM 0 H GLY A 118 12.190 4.454 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 118 12.609 6.736 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.072 6.693 -5.225 1.00 0.00 H new ATOM 1813 N ASN A 119 14.145 7.934 -4.617 1.00 0.00 N ATOM 1814 CA ASN A 119 15.362 8.561 -4.117 1.00 0.00 C ATOM 1815 C ASN A 119 15.642 8.139 -2.677 1.00 0.00 C ATOM 1816 O ASN A 119 14.741 7.679 -1.970 1.00 0.00 O ATOM 1817 CB ASN A 119 15.249 10.085 -4.204 1.00 0.00 C ATOM 1818 CG ASN A 119 14.119 10.626 -3.350 1.00 0.00 C ATOM 1819 OD1 ASN A 119 12.971 10.698 -3.789 1.00 0.00 O ATOM 1820 ND2 ASN A 119 14.440 11.014 -2.121 1.00 0.00 N ATOM 0 H ASN A 119 13.282 8.349 -4.266 1.00 0.00 H new ATOM 0 HA ASN A 119 16.193 8.230 -4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 119 16.189 10.536 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 119 15.089 10.377 -5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.722 11.389 -1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.404 10.937 -1.797 1.00 0.00 H new ATOM 1827 N PRO A 120 16.900 8.292 -2.220 1.00 0.00 N ATOM 1828 CA PRO A 120 17.307 7.928 -0.861 1.00 0.00 C ATOM 1829 C PRO A 120 16.851 8.954 0.176 1.00 0.00 C ATOM 1830 O PRO A 120 17.652 9.463 0.960 1.00 0.00 O ATOM 1831 CB PRO A 120 18.846 7.888 -0.934 1.00 0.00 C ATOM 1832 CG PRO A 120 19.198 8.111 -2.373 1.00 0.00 C ATOM 1833 CD PRO A 120 18.030 8.824 -2.987 1.00 0.00 C ATOM 0 HA PRO A 120 16.861 6.984 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.287 8.658 -0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.228 6.930 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 120 20.107 8.705 -2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.385 7.164 -2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 120 18.116 9.906 -2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.936 8.609 -4.051 1.00 0.00 H new ATOM 1841 N SER A 121 15.555 9.250 0.172 1.00 0.00 N ATOM 1842 CA SER A 121 14.980 10.211 1.105 1.00 0.00 C ATOM 1843 C SER A 121 13.484 10.335 0.862 1.00 0.00 C ATOM 1844 O SER A 121 12.914 11.425 0.937 1.00 0.00 O ATOM 1845 CB SER A 121 15.645 11.580 0.946 1.00 0.00 C ATOM 1846 OG SER A 121 16.742 11.720 1.832 1.00 0.00 O ATOM 0 H SER A 121 14.881 8.835 -0.471 1.00 0.00 H new ATOM 0 HA SER A 121 15.154 9.855 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 121 15.985 11.705 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 121 14.915 12.367 1.138 1.00 0.00 H new ATOM 0 HG SER A 121 17.448 11.089 1.580 1.00 0.00 H new ATOM 1852 N TYR A 122 12.855 9.209 0.552 1.00 0.00 N ATOM 1853 CA TYR A 122 11.429 9.186 0.275 1.00 0.00 C ATOM 1854 C TYR A 122 10.918 7.751 0.213 1.00 0.00 C ATOM 1855 O TYR A 122 9.906 7.415 0.825 1.00 0.00 O ATOM 1856 CB TYR A 122 11.160 9.911 -1.040 1.00 0.00 C ATOM 1857 CG TYR A 122 10.346 11.176 -0.885 1.00 0.00 C ATOM 1858 CD1 TYR A 122 8.996 11.125 -0.567 1.00 0.00 C ATOM 1859 CD2 TYR A 122 10.934 12.422 -1.062 1.00 0.00 C ATOM 1860 CE1 TYR A 122 8.254 12.283 -0.429 1.00 0.00 C ATOM 1861 CE2 TYR A 122 10.199 13.584 -0.924 1.00 0.00 C ATOM 1862 CZ TYR A 122 8.859 13.509 -0.607 1.00 0.00 C ATOM 1863 OH TYR A 122 8.123 14.663 -0.470 1.00 0.00 O ATOM 0 H TYR A 122 13.312 8.300 0.487 1.00 0.00 H new ATOM 0 HA TYR A 122 10.898 9.695 1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 122 12.112 10.158 -1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.638 9.235 -1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.518 10.167 -0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.983 12.484 -1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.204 12.228 -0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.671 14.545 -1.064 1.00 0.00 H new ATOM 0 HH TYR A 122 8.700 15.440 -0.627 1.00 0.00 H new ATOM 1873 N LYS A 123 11.641 6.906 -0.518 1.00 0.00 N ATOM 1874 CA LYS A 123 11.282 5.493 -0.649 1.00 0.00 C ATOM 1875 C LYS A 123 9.814 5.305 -1.051 1.00 0.00 C ATOM 1876 O LYS A 123 9.497 5.158 -2.231 1.00 0.00 O ATOM 1877 CB LYS A 123 11.568 4.771 0.670 1.00 0.00 C ATOM 1878 CG LYS A 123 13.042 4.498 0.909 1.00 0.00 C ATOM 1879 CD LYS A 123 13.642 3.661 -0.209 1.00 0.00 C ATOM 1880 CE LYS A 123 14.512 4.500 -1.130 1.00 0.00 C ATOM 1881 NZ LYS A 123 15.788 3.809 -1.468 1.00 0.00 N ATOM 0 H LYS A 123 12.481 7.174 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 123 11.889 5.064 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 123 11.180 5.371 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 123 11.026 3.825 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.580 5.443 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.168 3.980 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.237 2.854 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 123 12.842 3.197 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.964 4.720 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.731 5.455 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 16.050 4.025 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 16.540 4.137 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.666 2.782 -1.361 1.00 0.00 H new ATOM 1895 N TYR A 124 8.928 5.302 -0.057 1.00 0.00 N ATOM 1896 CA TYR A 124 7.493 5.121 -0.281 1.00 0.00 C ATOM 1897 C TYR A 124 6.988 5.941 -1.471 1.00 0.00 C ATOM 1898 O TYR A 124 5.995 5.581 -2.105 1.00 0.00 O ATOM 1899 CB TYR A 124 6.717 5.497 0.983 1.00 0.00 C ATOM 1900 CG TYR A 124 7.171 4.743 2.216 1.00 0.00 C ATOM 1901 CD1 TYR A 124 8.231 5.207 2.986 1.00 0.00 C ATOM 1902 CD2 TYR A 124 6.538 3.571 2.611 1.00 0.00 C ATOM 1903 CE1 TYR A 124 8.648 4.523 4.112 1.00 0.00 C ATOM 1904 CE2 TYR A 124 6.949 2.882 3.737 1.00 0.00 C ATOM 1905 CZ TYR A 124 8.004 3.364 4.483 1.00 0.00 C ATOM 1906 OH TYR A 124 8.416 2.681 5.605 1.00 0.00 O ATOM 0 H TYR A 124 9.182 5.424 0.923 1.00 0.00 H new ATOM 0 HA TYR A 124 7.326 4.070 -0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 124 6.824 6.567 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 124 5.656 5.306 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 124 8.737 6.117 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 124 5.711 3.192 2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 124 9.475 4.896 4.698 1.00 0.00 H new ATOM 0 HE2 TYR A 124 6.447 1.972 4.031 1.00 0.00 H new ATOM 0 HH TYR A 124 8.567 3.315 6.337 1.00 0.00 H new ATOM 1916 N PHE A 125 7.677 7.038 -1.775 1.00 0.00 N ATOM 1917 CA PHE A 125 7.297 7.891 -2.897 1.00 0.00 C ATOM 1918 C PHE A 125 7.707 7.235 -4.217 1.00 0.00 C ATOM 1919 O PHE A 125 8.885 6.962 -4.445 1.00 0.00 O ATOM 1920 CB PHE A 125 7.950 9.273 -2.744 1.00 0.00 C ATOM 1921 CG PHE A 125 7.973 10.096 -4.001 1.00 0.00 C ATOM 1922 CD1 PHE A 125 8.914 9.850 -4.987 1.00 0.00 C ATOM 1923 CD2 PHE A 125 7.057 11.119 -4.193 1.00 0.00 C ATOM 1924 CE1 PHE A 125 8.943 10.608 -6.140 1.00 0.00 C ATOM 1925 CE2 PHE A 125 7.082 11.883 -5.344 1.00 0.00 C ATOM 1926 CZ PHE A 125 8.026 11.627 -6.321 1.00 0.00 C ATOM 0 H PHE A 125 8.499 7.356 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 125 6.215 8.020 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 125 7.418 9.828 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 125 8.974 9.140 -2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.633 9.056 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.315 11.321 -3.434 1.00 0.00 H new ATOM 0 HE1 PHE A 125 9.682 10.405 -6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.365 12.679 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.047 12.221 -7.223 1.00 0.00 H new ATOM 1936 N TYR A 126 6.724 6.965 -5.071 1.00 0.00 N ATOM 1937 CA TYR A 126 6.981 6.317 -6.357 1.00 0.00 C ATOM 1938 C TYR A 126 7.018 7.324 -7.504 1.00 0.00 C ATOM 1939 O TYR A 126 6.581 8.465 -7.363 1.00 0.00 O ATOM 1940 CB TYR A 126 5.908 5.262 -6.635 1.00 0.00 C ATOM 1941 CG TYR A 126 6.283 3.875 -6.169 1.00 0.00 C ATOM 1942 CD1 TYR A 126 7.208 3.113 -6.871 1.00 0.00 C ATOM 1943 CD2 TYR A 126 5.714 3.325 -5.028 1.00 0.00 C ATOM 1944 CE1 TYR A 126 7.555 1.844 -6.450 1.00 0.00 C ATOM 1945 CE2 TYR A 126 6.055 2.056 -4.600 1.00 0.00 C ATOM 1946 CZ TYR A 126 6.975 1.319 -5.313 1.00 0.00 C ATOM 1947 OH TYR A 126 7.316 0.054 -4.889 1.00 0.00 O ATOM 0 H TYR A 126 5.743 7.184 -4.898 1.00 0.00 H new ATOM 0 HA TYR A 126 7.960 5.842 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.981 5.562 -6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.708 5.234 -7.706 1.00 0.00 H new ATOM 0 HD1 TYR A 126 7.664 3.520 -7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.993 3.899 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 126 8.277 1.266 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 126 5.602 1.644 -3.710 1.00 0.00 H new ATOM 0 HH TYR A 126 6.739 -0.207 -4.141 1.00 0.00 H new ATOM 1957 N VAL A 127 7.536 6.874 -8.645 1.00 0.00 N ATOM 1958 CA VAL A 127 7.633 7.703 -9.841 1.00 0.00 C ATOM 1959 C VAL A 127 7.581 6.833 -11.091 1.00 0.00 C ATOM 1960 O VAL A 127 8.601 6.312 -11.538 1.00 0.00 O ATOM 1961 CB VAL A 127 8.929 8.538 -9.867 1.00 0.00 C ATOM 1962 CG1 VAL A 127 8.727 9.861 -9.151 1.00 0.00 C ATOM 1963 CG2 VAL A 127 10.086 7.764 -9.254 1.00 0.00 C ATOM 0 H VAL A 127 7.899 5.928 -8.765 1.00 0.00 H new ATOM 0 HA VAL A 127 6.785 8.388 -9.821 1.00 0.00 H new ATOM 0 HB VAL A 127 9.177 8.747 -10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.653 10.436 -9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 127 7.935 10.424 -9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 127 8.448 9.675 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 127 10.989 8.374 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.850 7.516 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 127 10.250 6.846 -9.819 1.00 0.00 H new ATOM 1973 N SER A 128 6.374 6.677 -11.636 1.00 0.00 N ATOM 1974 CA SER A 128 6.142 5.862 -12.837 1.00 0.00 C ATOM 1975 C SER A 128 5.717 4.444 -12.459 1.00 0.00 C ATOM 1976 O SER A 128 6.168 3.895 -11.453 1.00 0.00 O ATOM 1977 CB SER A 128 7.382 5.814 -13.736 1.00 0.00 C ATOM 1978 OG SER A 128 7.023 5.585 -15.088 1.00 0.00 O ATOM 0 H SER A 128 5.529 7.109 -11.261 1.00 0.00 H new ATOM 0 HA SER A 128 5.336 6.336 -13.396 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.930 6.753 -13.656 1.00 0.00 H new ATOM 0 HB3 SER A 128 8.052 5.024 -13.395 1.00 0.00 H new ATOM 0 HG SER A 128 7.831 5.560 -15.641 1.00 0.00 H new ATOM 1984 N ALA A 129 4.838 3.864 -13.272 1.00 0.00 N ATOM 1985 CA ALA A 129 4.335 2.517 -13.030 1.00 0.00 C ATOM 1986 C ALA A 129 5.396 1.459 -13.310 1.00 0.00 C ATOM 1987 O ALA A 129 5.410 0.403 -12.678 1.00 0.00 O ATOM 1988 CB ALA A 129 3.099 2.257 -13.878 1.00 0.00 C ATOM 0 H ALA A 129 4.459 4.309 -14.108 1.00 0.00 H new ATOM 0 HA ALA A 129 4.069 2.449 -11.975 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.733 1.248 -13.688 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.323 2.978 -13.621 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.354 2.358 -14.933 1.00 0.00 H new ATOM 1994 N GLU A 130 6.281 1.741 -14.260 1.00 0.00 N ATOM 1995 CA GLU A 130 7.341 0.805 -14.622 1.00 0.00 C ATOM 1996 C GLU A 130 8.042 0.253 -13.381 1.00 0.00 C ATOM 1997 O GLU A 130 8.303 -0.950 -13.277 1.00 0.00 O ATOM 1998 CB GLU A 130 8.361 1.487 -15.534 1.00 0.00 C ATOM 1999 CG GLU A 130 9.144 0.518 -16.404 1.00 0.00 C ATOM 2000 CD GLU A 130 10.579 0.959 -16.619 1.00 0.00 C ATOM 2001 OE1 GLU A 130 11.388 0.833 -15.677 1.00 0.00 O ATOM 2002 OE2 GLU A 130 10.893 1.429 -17.732 1.00 0.00 O ATOM 0 H GLU A 130 6.286 2.610 -14.794 1.00 0.00 H new ATOM 0 HA GLU A 130 6.882 -0.029 -15.154 1.00 0.00 H new ATOM 0 HB2 GLU A 130 7.843 2.200 -16.175 1.00 0.00 H new ATOM 0 HB3 GLU A 130 9.059 2.058 -14.921 1.00 0.00 H new ATOM 0 HG2 GLU A 130 9.136 -0.469 -15.941 1.00 0.00 H new ATOM 0 HG3 GLU A 130 8.649 0.421 -17.370 1.00 0.00 H new ATOM 2009 N GLN A 131 8.354 1.130 -12.439 1.00 0.00 N ATOM 2010 CA GLN A 131 9.030 0.701 -11.228 1.00 0.00 C ATOM 2011 C GLN A 131 8.051 0.133 -10.207 1.00 0.00 C ATOM 2012 O GLN A 131 8.304 -0.916 -9.619 1.00 0.00 O ATOM 2013 CB GLN A 131 9.829 1.838 -10.603 1.00 0.00 C ATOM 2014 CG GLN A 131 9.017 3.093 -10.325 1.00 0.00 C ATOM 2015 CD GLN A 131 9.890 4.277 -9.963 1.00 0.00 C ATOM 2016 OE1 GLN A 131 10.500 4.902 -10.831 1.00 0.00 O ATOM 2017 NE2 GLN A 131 9.964 4.586 -8.674 1.00 0.00 N ATOM 0 H GLN A 131 8.153 2.129 -12.489 1.00 0.00 H new ATOM 0 HA GLN A 131 9.720 -0.091 -11.519 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.267 1.488 -9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.655 2.093 -11.266 1.00 0.00 H new ATOM 0 HG2 GLN A 131 8.422 3.339 -11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.318 2.898 -9.511 1.00 0.00 H new ATOM 0 HE21 GLN A 131 9.442 4.041 -7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.543 5.368 -8.370 1.00 0.00 H new ATOM 2026 N VAL A 132 6.929 0.818 -9.991 1.00 0.00 N ATOM 2027 CA VAL A 132 5.941 0.343 -9.031 1.00 0.00 C ATOM 2028 C VAL A 132 5.623 -1.127 -9.284 1.00 0.00 C ATOM 2029 O VAL A 132 5.279 -1.866 -8.362 1.00 0.00 O ATOM 2030 CB VAL A 132 4.637 1.175 -9.057 1.00 0.00 C ATOM 2031 CG1 VAL A 132 4.932 2.654 -9.255 1.00 0.00 C ATOM 2032 CG2 VAL A 132 3.673 0.664 -10.119 1.00 0.00 C ATOM 0 H VAL A 132 6.686 1.690 -10.461 1.00 0.00 H new ATOM 0 HA VAL A 132 6.380 0.461 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 132 4.154 1.057 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.996 3.213 -9.269 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.557 3.013 -8.437 1.00 0.00 H new ATOM 0 HG13 VAL A 132 5.454 2.797 -10.201 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.767 1.271 -10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 132 4.144 0.729 -11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.416 -0.374 -9.908 1.00 0.00 H new ATOM 2042 N VAL A 133 5.756 -1.546 -10.541 1.00 0.00 N ATOM 2043 CA VAL A 133 5.502 -2.929 -10.905 1.00 0.00 C ATOM 2044 C VAL A 133 6.717 -3.792 -10.600 1.00 0.00 C ATOM 2045 O VAL A 133 6.573 -4.952 -10.227 1.00 0.00 O ATOM 2046 CB VAL A 133 5.133 -3.090 -12.391 1.00 0.00 C ATOM 2047 CG1 VAL A 133 6.253 -2.582 -13.277 1.00 0.00 C ATOM 2048 CG2 VAL A 133 4.827 -4.548 -12.704 1.00 0.00 C ATOM 0 H VAL A 133 6.037 -0.947 -11.318 1.00 0.00 H new ATOM 0 HA VAL A 133 4.650 -3.254 -10.308 1.00 0.00 H new ATOM 0 HB VAL A 133 4.241 -2.496 -12.592 1.00 0.00 H new ATOM 0 HG11 VAL A 133 5.973 -2.704 -14.323 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.431 -1.527 -13.070 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.162 -3.149 -13.076 1.00 0.00 H new ATOM 0 HG21 VAL A 133 4.568 -4.647 -13.758 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.704 -5.158 -12.487 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.990 -4.884 -12.091 1.00 0.00 H new ATOM 2058 N GLN A 134 7.919 -3.229 -10.749 1.00 0.00 N ATOM 2059 CA GLN A 134 9.125 -3.993 -10.461 1.00 0.00 C ATOM 2060 C GLN A 134 9.192 -4.281 -8.967 1.00 0.00 C ATOM 2061 O GLN A 134 9.603 -5.362 -8.543 1.00 0.00 O ATOM 2062 CB GLN A 134 10.379 -3.244 -10.937 1.00 0.00 C ATOM 2063 CG GLN A 134 10.828 -2.117 -10.016 1.00 0.00 C ATOM 2064 CD GLN A 134 12.308 -1.815 -10.146 1.00 0.00 C ATOM 2065 OE1 GLN A 134 12.700 -0.683 -10.433 1.00 0.00 O ATOM 2066 NE2 GLN A 134 13.139 -2.828 -9.934 1.00 0.00 N ATOM 0 H GLN A 134 8.077 -2.270 -11.060 1.00 0.00 H new ATOM 0 HA GLN A 134 9.088 -4.937 -11.004 1.00 0.00 H new ATOM 0 HB2 GLN A 134 11.196 -3.958 -11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 134 10.187 -2.832 -11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 134 10.256 -1.217 -10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 134 10.605 -2.385 -8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 134 12.770 -3.749 -9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 134 14.146 -2.685 -10.007 1.00 0.00 H new ATOM 2075 N GLY A 135 8.755 -3.308 -8.178 1.00 0.00 N ATOM 2076 CA GLY A 135 8.740 -3.466 -6.740 1.00 0.00 C ATOM 2077 C GLY A 135 7.550 -4.286 -6.290 1.00 0.00 C ATOM 2078 O GLY A 135 7.555 -4.857 -5.200 1.00 0.00 O ATOM 0 H GLY A 135 8.409 -2.408 -8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.661 -3.950 -6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.710 -2.486 -6.264 1.00 0.00 H new ATOM 2082 N MET A 136 6.531 -4.357 -7.146 1.00 0.00 N ATOM 2083 CA MET A 136 5.335 -5.126 -6.842 1.00 0.00 C ATOM 2084 C MET A 136 5.552 -6.588 -7.211 1.00 0.00 C ATOM 2085 O MET A 136 5.043 -7.492 -6.552 1.00 0.00 O ATOM 2086 CB MET A 136 4.131 -4.565 -7.601 1.00 0.00 C ATOM 2087 CG MET A 136 3.185 -3.757 -6.728 1.00 0.00 C ATOM 2088 SD MET A 136 1.616 -3.412 -7.543 1.00 0.00 S ATOM 2089 CE MET A 136 2.128 -2.203 -8.760 1.00 0.00 C ATOM 0 H MET A 136 6.514 -3.890 -8.053 1.00 0.00 H new ATOM 0 HA MET A 136 5.134 -5.054 -5.773 1.00 0.00 H new ATOM 0 HB2 MET A 136 4.487 -3.935 -8.416 1.00 0.00 H new ATOM 0 HB3 MET A 136 3.580 -5.390 -8.053 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.998 -4.300 -5.802 1.00 0.00 H new ATOM 0 HG3 MET A 136 3.663 -2.816 -6.454 1.00 0.00 H new ATOM 0 HE1 MET A 136 1.253 -1.672 -9.135 1.00 0.00 H new ATOM 0 HE2 MET A 136 2.815 -1.492 -8.300 1.00 0.00 H new ATOM 0 HE3 MET A 136 2.628 -2.708 -9.586 1.00 0.00 H new ATOM 2099 N LYS A 137 6.319 -6.799 -8.274 1.00 0.00 N ATOM 2100 CA LYS A 137 6.625 -8.136 -8.765 1.00 0.00 C ATOM 2101 C LYS A 137 7.761 -8.777 -7.972 1.00 0.00 C ATOM 2102 O LYS A 137 7.979 -9.986 -8.052 1.00 0.00 O ATOM 2103 CB LYS A 137 6.982 -8.074 -10.253 1.00 0.00 C ATOM 2104 CG LYS A 137 8.245 -7.290 -10.560 1.00 0.00 C ATOM 2105 CD LYS A 137 8.306 -6.883 -12.027 1.00 0.00 C ATOM 2106 CE LYS A 137 8.077 -8.066 -12.957 1.00 0.00 C ATOM 2107 NZ LYS A 137 9.196 -9.047 -12.893 1.00 0.00 N ATOM 0 H LYS A 137 6.745 -6.049 -8.819 1.00 0.00 H new ATOM 0 HA LYS A 137 5.739 -8.757 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.099 -9.090 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 137 6.150 -7.627 -10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.284 -6.400 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.118 -7.893 -10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 137 7.555 -6.118 -12.222 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.278 -6.438 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.144 -8.562 -12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.967 -7.707 -13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 9.002 -9.837 -13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 10.083 -8.581 -13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 9.285 -9.409 -11.922 1.00 0.00 H new ATOM 2121 N GLU A 138 8.480 -7.966 -7.200 1.00 0.00 N ATOM 2122 CA GLU A 138 9.585 -8.463 -6.389 1.00 0.00 C ATOM 2123 C GLU A 138 9.173 -8.539 -4.927 1.00 0.00 C ATOM 2124 O GLU A 138 9.236 -9.598 -4.305 1.00 0.00 O ATOM 2125 CB GLU A 138 10.813 -7.563 -6.545 1.00 0.00 C ATOM 2126 CG GLU A 138 11.974 -8.240 -7.250 1.00 0.00 C ATOM 2127 CD GLU A 138 13.231 -7.393 -7.248 1.00 0.00 C ATOM 2128 OE1 GLU A 138 13.175 -6.247 -7.745 1.00 0.00 O ATOM 2129 OE2 GLU A 138 14.271 -7.872 -6.750 1.00 0.00 O ATOM 0 H GLU A 138 8.316 -6.962 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 138 9.843 -9.464 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.531 -6.670 -7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 138 11.140 -7.233 -5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 138 12.182 -9.194 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 138 11.691 -8.461 -8.279 1.00 0.00 H new ATOM 2136 N ALA A 139 8.740 -7.406 -4.392 1.00 0.00 N ATOM 2137 CA ALA A 139 8.302 -7.335 -3.005 1.00 0.00 C ATOM 2138 C ALA A 139 7.225 -8.375 -2.731 1.00 0.00 C ATOM 2139 O ALA A 139 7.133 -8.920 -1.630 1.00 0.00 O ATOM 2140 CB ALA A 139 7.786 -5.939 -2.685 1.00 0.00 C ATOM 0 H ALA A 139 8.683 -6.522 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 139 9.156 -7.547 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 139 7.462 -5.900 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 139 8.582 -5.212 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 139 6.944 -5.704 -3.336 1.00 0.00 H new ATOM 2146 N GLN A 140 6.413 -8.651 -3.749 1.00 0.00 N ATOM 2147 CA GLN A 140 5.345 -9.627 -3.633 1.00 0.00 C ATOM 2148 C GLN A 140 5.877 -10.980 -3.169 1.00 0.00 C ATOM 2149 O GLN A 140 5.151 -11.763 -2.556 1.00 0.00 O ATOM 2150 CB GLN A 140 4.637 -9.782 -4.977 1.00 0.00 C ATOM 2151 CG GLN A 140 5.580 -10.082 -6.133 1.00 0.00 C ATOM 2152 CD GLN A 140 5.887 -11.561 -6.266 1.00 0.00 C ATOM 2153 OE1 GLN A 140 7.049 -11.963 -6.305 1.00 0.00 O ATOM 2154 NE2 GLN A 140 4.844 -12.378 -6.341 1.00 0.00 N ATOM 0 H GLN A 140 6.479 -8.208 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 140 4.638 -9.267 -2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.903 -10.584 -4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.087 -8.867 -5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 140 5.137 -9.722 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.511 -9.533 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 140 3.897 -12.001 -6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.989 -13.383 -6.435 1.00 0.00 H new ATOM 2163 N GLU A 141 7.142 -11.253 -3.474 1.00 0.00 N ATOM 2164 CA GLU A 141 7.770 -12.516 -3.098 1.00 0.00 C ATOM 2165 C GLU A 141 8.284 -12.479 -1.659 1.00 0.00 C ATOM 2166 O GLU A 141 8.165 -13.459 -0.923 1.00 0.00 O ATOM 2167 CB GLU A 141 8.922 -12.833 -4.057 1.00 0.00 C ATOM 2168 CG GLU A 141 9.774 -14.017 -3.625 1.00 0.00 C ATOM 2169 CD GLU A 141 10.518 -14.654 -4.782 1.00 0.00 C ATOM 2170 OE1 GLU A 141 11.373 -13.971 -5.387 1.00 0.00 O ATOM 2171 OE2 GLU A 141 10.247 -15.834 -5.086 1.00 0.00 O ATOM 0 H GLU A 141 7.754 -10.615 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 141 7.015 -13.299 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.513 -13.034 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.559 -11.953 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.492 -13.688 -2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.137 -14.765 -3.152 1.00 0.00 H new ATOM 2178 N ARG A 142 8.870 -11.353 -1.271 1.00 0.00 N ATOM 2179 CA ARG A 142 9.418 -11.197 0.073 1.00 0.00 C ATOM 2180 C ARG A 142 8.341 -11.325 1.149 1.00 0.00 C ATOM 2181 O ARG A 142 8.652 -11.560 2.317 1.00 0.00 O ATOM 2182 CB ARG A 142 10.119 -9.844 0.203 1.00 0.00 C ATOM 2183 CG ARG A 142 11.393 -9.739 -0.622 1.00 0.00 C ATOM 2184 CD ARG A 142 11.204 -8.828 -1.824 1.00 0.00 C ATOM 2185 NE ARG A 142 12.433 -8.688 -2.602 1.00 0.00 N ATOM 2186 CZ ARG A 142 13.421 -7.854 -2.285 1.00 0.00 C ATOM 2187 NH1 ARG A 142 13.334 -7.087 -1.204 1.00 0.00 N ATOM 2188 NH2 ARG A 142 14.503 -7.788 -3.050 1.00 0.00 N ATOM 0 H ARG A 142 8.979 -10.533 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 142 10.138 -12.001 0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.431 -9.056 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.359 -9.667 1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 142 12.201 -9.357 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 142 11.692 -10.731 -0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.415 -9.227 -2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.875 -7.845 -1.486 1.00 0.00 H new ATOM 0 HE ARG A 142 12.540 -9.263 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.506 -7.135 -0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.095 -6.450 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.577 -8.376 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 142 15.261 -7.149 -2.808 1.00 0.00 H new ATOM 2202 N LEU A 143 7.079 -11.157 0.763 1.00 0.00 N ATOM 2203 CA LEU A 143 5.981 -11.243 1.722 1.00 0.00 C ATOM 2204 C LEU A 143 5.176 -12.531 1.553 1.00 0.00 C ATOM 2205 O LEU A 143 5.222 -13.412 2.411 1.00 0.00 O ATOM 2206 CB LEU A 143 5.061 -10.030 1.580 1.00 0.00 C ATOM 2207 CG LEU A 143 5.770 -8.677 1.653 1.00 0.00 C ATOM 2208 CD1 LEU A 143 4.781 -7.544 1.426 1.00 0.00 C ATOM 2209 CD2 LEU A 143 6.468 -8.514 2.995 1.00 0.00 C ATOM 0 H LEU A 143 6.793 -10.963 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 143 6.418 -11.254 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 143 4.536 -10.099 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.305 -10.071 2.364 1.00 0.00 H new ATOM 0 HG LEU A 143 6.523 -8.639 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 143 5.303 -6.589 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 143 4.324 -7.651 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 143 4.006 -7.579 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 143 6.968 -7.546 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 143 5.732 -8.572 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 143 7.205 -9.307 3.121 1.00 0.00 H new ATOM 2221 N THR A 144 4.442 -12.631 0.444 1.00 0.00 N ATOM 2222 CA THR A 144 3.621 -13.792 0.141 1.00 0.00 C ATOM 2223 C THR A 144 2.946 -14.377 1.389 1.00 0.00 C ATOM 2224 O THR A 144 1.825 -13.995 1.726 1.00 0.00 O ATOM 2225 CB THR A 144 4.451 -14.844 -0.595 1.00 0.00 C ATOM 2226 OG1 THR A 144 5.130 -15.700 0.304 1.00 0.00 O ATOM 2227 CG2 THR A 144 5.485 -14.255 -1.531 1.00 0.00 C ATOM 0 H THR A 144 4.404 -11.903 -0.269 1.00 0.00 H new ATOM 0 HA THR A 144 2.813 -13.464 -0.513 1.00 0.00 H new ATOM 0 HB THR A 144 3.721 -15.400 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 144 5.442 -15.183 1.076 1.00 0.00 H new ATOM 0 HG21 THR A 144 6.035 -15.060 -2.018 1.00 0.00 H new ATOM 0 HG22 THR A 144 4.987 -13.647 -2.286 1.00 0.00 H new ATOM 0 HG23 THR A 144 6.178 -13.634 -0.963 1.00 0.00 H new