USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 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 52 ASN : amide:sc= -1.33 K(o=-1.3,f=-13!) USER MOD Set 1.2: A 54 ASN : amide:sc= 0 K(o=-1.3,f=-2) USER MOD Set 2.1: A 35 HIS : no HD1:sc= 0.0994 X(o=-0.18,f=-0.58) USER MOD Set 2.2: A 46 SER OG : rot -110:sc= -0.276 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -2:sc= 1.02 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.419 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.445 F(o=-1.1,f=-0.44) USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00421 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0167 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -2.18 F(o=-4.3,f=-2.2) USER MOD Single : A 72 GLN : amide:sc= -0.957 X(o=-0.96,f=-0.7) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.525 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.43) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.49) USER MOD Single : A 91 SER OG : rot 44:sc= 0.305 USER MOD Single : A 92 SER OG : rot 10:sc= 0.695 USER MOD Single : A 93 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.0023) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -43:sc= 0.458 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.72 K(o=-1.7,f=-11!) USER MOD Single : A 103 ASN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -62:sc= 1.58 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 1.367 -8.615 -4.740 1.00 0.00 N ATOM 287 CA ASP A 23 1.673 -9.597 -3.706 1.00 0.00 C ATOM 288 C ASP A 23 2.261 -8.922 -2.471 1.00 0.00 C ATOM 289 O ASP A 23 3.251 -8.196 -2.562 1.00 0.00 O ATOM 290 CB ASP A 23 2.648 -10.646 -4.243 1.00 0.00 C ATOM 291 CG ASP A 23 1.947 -11.749 -5.010 1.00 0.00 C ATOM 292 OD1 ASP A 23 1.119 -11.428 -5.888 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.228 -12.934 -4.734 1.00 0.00 O ATOM 0 HA ASP A 23 0.743 -10.089 -3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.376 -10.162 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.203 -11.081 -3.412 1.00 0.00 H new ATOM 298 N GLU A 24 1.644 -9.165 -1.319 1.00 0.00 N ATOM 299 CA GLU A 24 2.106 -8.579 -0.067 1.00 0.00 C ATOM 300 C GLU A 24 2.391 -9.662 0.969 1.00 0.00 C ATOM 301 O GLU A 24 2.285 -9.430 2.174 1.00 0.00 O ATOM 302 CB GLU A 24 1.065 -7.598 0.478 1.00 0.00 C ATOM 303 CG GLU A 24 1.655 -6.514 1.363 1.00 0.00 C ATOM 304 CD GLU A 24 0.600 -5.579 1.922 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.454 -6.074 2.372 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.829 -4.351 1.908 1.00 0.00 O ATOM 0 H GLU A 24 0.823 -9.764 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 24 3.032 -8.041 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.546 -7.130 -0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.318 -8.152 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.197 -6.978 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.380 -5.936 0.789 1.00 0.00 H new ATOM 313 N THR A 25 2.754 -10.849 0.491 1.00 0.00 N ATOM 314 CA THR A 25 3.053 -11.969 1.374 1.00 0.00 C ATOM 315 C THR A 25 4.557 -12.157 1.534 1.00 0.00 C ATOM 316 O THR A 25 5.019 -12.729 2.522 1.00 0.00 O ATOM 317 CB THR A 25 2.437 -13.279 0.847 1.00 0.00 C ATOM 318 OG1 THR A 25 2.998 -13.606 -0.429 1.00 0.00 O ATOM 319 CG2 THR A 25 0.926 -13.156 0.726 1.00 0.00 C ATOM 0 H THR A 25 2.848 -11.059 -0.503 1.00 0.00 H new ATOM 0 HA THR A 25 2.614 -11.733 2.343 1.00 0.00 H new ATOM 0 HB THR A 25 2.665 -14.073 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.602 -14.441 -0.756 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.513 -14.093 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.499 -12.937 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.681 -12.350 0.034 1.00 0.00 H new ATOM 327 N ARG A 26 5.317 -11.671 0.558 1.00 0.00 N ATOM 328 CA ARG A 26 6.770 -11.786 0.591 1.00 0.00 C ATOM 329 C ARG A 26 7.425 -10.408 0.560 1.00 0.00 C ATOM 330 O ARG A 26 6.920 -9.483 -0.076 1.00 0.00 O ATOM 331 CB ARG A 26 7.263 -12.624 -0.589 1.00 0.00 C ATOM 332 CG ARG A 26 6.951 -12.011 -1.944 1.00 0.00 C ATOM 333 CD ARG A 26 7.706 -12.714 -3.062 1.00 0.00 C ATOM 334 NE ARG A 26 7.203 -12.342 -4.381 1.00 0.00 N ATOM 335 CZ ARG A 26 6.028 -12.737 -4.858 1.00 0.00 C ATOM 336 NH1 ARG A 26 5.239 -13.513 -4.128 1.00 0.00 N ATOM 337 NH2 ARG A 26 5.640 -12.356 -6.069 1.00 0.00 N ATOM 0 H ARG A 26 4.950 -11.194 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 26 7.050 -12.281 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.341 -12.761 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.810 -13.614 -0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.879 -12.071 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.214 -10.953 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.765 -12.467 -2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.622 -13.793 -2.933 1.00 0.00 H new ATOM 0 HE ARG A 26 7.786 -11.746 -4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.534 -13.808 -3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.337 -13.815 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.244 -11.759 -6.634 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.738 -12.660 -6.434 1.00 0.00 H new ATOM 351 N VAL A 27 8.553 -10.279 1.252 1.00 0.00 N ATOM 352 CA VAL A 27 9.278 -9.015 1.303 1.00 0.00 C ATOM 353 C VAL A 27 10.057 -8.776 0.015 1.00 0.00 C ATOM 354 O VAL A 27 10.523 -9.708 -0.640 1.00 0.00 O ATOM 355 CB VAL A 27 10.253 -8.975 2.495 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.530 -9.320 3.788 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.421 -9.921 2.259 1.00 0.00 C ATOM 0 H VAL A 27 8.984 -11.034 1.785 1.00 0.00 H new ATOM 0 HA VAL A 27 8.534 -8.228 1.425 1.00 0.00 H new ATOM 0 HB VAL A 27 10.647 -7.963 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.235 -9.287 4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.730 -8.600 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.106 -10.321 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.100 -9.880 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.047 -10.938 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.954 -9.623 1.356 1.00 0.00 H new ATOM 367 N PRO A 28 10.204 -7.496 -0.359 1.00 0.00 N ATOM 368 CA PRO A 28 10.928 -7.103 -1.572 1.00 0.00 C ATOM 369 C PRO A 28 12.429 -7.343 -1.454 1.00 0.00 C ATOM 370 O PRO A 28 13.142 -6.566 -0.821 1.00 0.00 O ATOM 371 CB PRO A 28 10.633 -5.606 -1.692 1.00 0.00 C ATOM 372 CG PRO A 28 10.340 -5.165 -0.299 1.00 0.00 C ATOM 373 CD PRO A 28 9.674 -6.333 0.374 1.00 0.00 C ATOM 0 HA PRO A 28 10.615 -7.683 -2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.484 -5.067 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.786 -5.421 -2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.255 -4.884 0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.690 -4.290 -0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.921 -6.380 1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.588 -6.273 0.302 1.00 0.00 H new ATOM 381 N GLU A 29 12.901 -8.423 -2.068 1.00 0.00 N ATOM 382 CA GLU A 29 14.318 -8.764 -2.031 1.00 0.00 C ATOM 383 C GLU A 29 15.168 -7.616 -2.567 1.00 0.00 C ATOM 384 O GLU A 29 14.644 -6.592 -3.004 1.00 0.00 O ATOM 385 CB GLU A 29 14.582 -10.032 -2.846 1.00 0.00 C ATOM 386 CG GLU A 29 13.679 -11.195 -2.471 1.00 0.00 C ATOM 387 CD GLU A 29 14.270 -12.066 -1.379 1.00 0.00 C ATOM 388 OE1 GLU A 29 15.389 -12.584 -1.576 1.00 0.00 O ATOM 389 OE2 GLU A 29 13.615 -12.228 -0.329 1.00 0.00 O ATOM 0 H GLU A 29 12.323 -9.077 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 29 14.595 -8.944 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.451 -9.807 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.621 -10.331 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.715 -10.809 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.492 -11.805 -3.355 1.00 0.00 H new ATOM 396 N VAL A 30 16.485 -7.795 -2.529 1.00 0.00 N ATOM 397 CA VAL A 30 17.409 -6.775 -3.011 1.00 0.00 C ATOM 398 C VAL A 30 16.866 -6.086 -4.258 1.00 0.00 C ATOM 399 O VAL A 30 16.440 -6.730 -5.218 1.00 0.00 O ATOM 400 CB VAL A 30 18.791 -7.376 -3.331 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.641 -8.690 -4.082 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.629 -6.389 -4.130 1.00 0.00 C ATOM 0 H VAL A 30 16.936 -8.636 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 30 17.516 -6.042 -2.212 1.00 0.00 H new ATOM 0 HB VAL A 30 19.306 -7.578 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.627 -9.100 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 30 18.081 -9.397 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 30 18.106 -8.516 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.602 -6.830 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 30 19.121 -6.153 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.766 -5.476 -3.551 1.00 0.00 H new ATOM 412 N PRO A 31 16.880 -4.745 -4.247 1.00 0.00 N ATOM 413 CA PRO A 31 16.393 -3.939 -5.370 1.00 0.00 C ATOM 414 C PRO A 31 17.302 -4.036 -6.591 1.00 0.00 C ATOM 415 O PRO A 31 18.395 -4.597 -6.519 1.00 0.00 O ATOM 416 CB PRO A 31 16.397 -2.514 -4.812 1.00 0.00 C ATOM 417 CG PRO A 31 17.424 -2.533 -3.733 1.00 0.00 C ATOM 418 CD PRO A 31 17.373 -3.913 -3.137 1.00 0.00 C ATOM 0 HA PRO A 31 15.415 -4.273 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.648 -1.787 -5.584 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.417 -2.239 -4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.415 -2.317 -4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.212 -1.774 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.355 -4.240 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.706 -3.955 -2.276 1.00 0.00 H new ATOM 426 N SER A 32 16.843 -3.485 -7.710 1.00 0.00 N ATOM 427 CA SER A 32 17.614 -3.513 -8.947 1.00 0.00 C ATOM 428 C SER A 32 19.069 -3.130 -8.690 1.00 0.00 C ATOM 429 O SER A 32 19.987 -3.883 -9.015 1.00 0.00 O ATOM 430 CB SER A 32 17.000 -2.562 -9.977 1.00 0.00 C ATOM 431 OG SER A 32 17.857 -2.397 -11.093 1.00 0.00 O ATOM 0 H SER A 32 15.941 -3.014 -7.785 1.00 0.00 H new ATOM 0 HA SER A 32 17.588 -4.530 -9.339 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.037 -2.952 -10.308 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.810 -1.594 -9.514 1.00 0.00 H new ATOM 0 HG SER A 32 17.441 -1.786 -11.737 1.00 0.00 H new ATOM 437 N SER A 33 19.270 -1.955 -8.103 1.00 0.00 N ATOM 438 CA SER A 33 20.612 -1.469 -7.804 1.00 0.00 C ATOM 439 C SER A 33 20.557 -0.240 -6.902 1.00 0.00 C ATOM 440 O SER A 33 19.483 0.176 -6.465 1.00 0.00 O ATOM 441 CB SER A 33 21.355 -1.133 -9.098 1.00 0.00 C ATOM 442 OG SER A 33 21.680 -2.308 -9.820 1.00 0.00 O ATOM 0 H SER A 33 18.521 -1.322 -7.825 1.00 0.00 H new ATOM 0 HA SER A 33 21.149 -2.259 -7.279 1.00 0.00 H new ATOM 0 HB2 SER A 33 20.738 -0.482 -9.717 1.00 0.00 H new ATOM 0 HB3 SER A 33 22.266 -0.582 -8.865 1.00 0.00 H new ATOM 0 HG SER A 33 21.392 -3.095 -9.311 1.00 0.00 H new ATOM 448 N LEU A 34 21.722 0.336 -6.626 1.00 0.00 N ATOM 449 CA LEU A 34 21.808 1.518 -5.776 1.00 0.00 C ATOM 450 C LEU A 34 23.072 2.316 -6.079 1.00 0.00 C ATOM 451 O LEU A 34 24.187 1.826 -5.895 1.00 0.00 O ATOM 452 CB LEU A 34 21.789 1.112 -4.301 1.00 0.00 C ATOM 453 CG LEU A 34 22.425 2.102 -3.324 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.468 3.246 -3.025 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.832 1.396 -2.039 1.00 0.00 C ATOM 0 H LEU A 34 22.620 0.004 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 34 20.944 2.149 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.753 0.952 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.301 0.155 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 34 23.321 2.516 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.937 3.940 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.225 3.769 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.554 2.850 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.283 2.116 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.952 0.954 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.554 0.612 -2.268 1.00 0.00 H new ATOM 467 N HIS A 35 22.891 3.548 -6.543 1.00 0.00 N ATOM 468 CA HIS A 35 24.018 4.416 -6.869 1.00 0.00 C ATOM 469 C HIS A 35 24.165 5.527 -5.834 1.00 0.00 C ATOM 470 O HIS A 35 23.174 6.057 -5.332 1.00 0.00 O ATOM 471 CB HIS A 35 23.837 5.021 -8.261 1.00 0.00 C ATOM 472 CG HIS A 35 24.805 6.122 -8.566 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.431 7.445 -8.671 1.00 0.00 N ATOM 474 CD2 HIS A 35 26.140 6.091 -8.788 1.00 0.00 C ATOM 475 CE1 HIS A 35 25.493 8.180 -8.946 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.544 7.383 -9.022 1.00 0.00 N ATOM 0 H HIS A 35 21.975 3.968 -6.702 1.00 0.00 H new ATOM 0 HA HIS A 35 24.925 3.812 -6.859 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.947 4.234 -9.007 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.821 5.406 -8.352 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.770 5.214 -8.782 1.00 0.00 H new ATOM 0 HE1 HIS A 35 25.501 9.251 -9.085 1.00 0.00 H new ATOM 0 HE2 HIS A 35 27.500 7.679 -9.222 1.00 0.00 H new ATOM 485 N VAL A 36 25.409 5.874 -5.518 1.00 0.00 N ATOM 486 CA VAL A 36 25.686 6.922 -4.543 1.00 0.00 C ATOM 487 C VAL A 36 26.730 7.900 -5.070 1.00 0.00 C ATOM 488 O VAL A 36 27.791 7.495 -5.545 1.00 0.00 O ATOM 489 CB VAL A 36 26.180 6.331 -3.209 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.089 5.492 -2.560 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.440 5.507 -3.425 1.00 0.00 C ATOM 0 H VAL A 36 26.241 5.444 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 36 24.749 7.452 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 36 26.422 7.153 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.456 5.083 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.216 6.116 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.812 4.676 -3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.775 5.097 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.227 4.691 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.222 6.141 -3.842 1.00 0.00 H new ATOM 501 N ARG A 37 26.422 9.190 -4.981 1.00 0.00 N ATOM 502 CA ARG A 37 27.333 10.227 -5.449 1.00 0.00 C ATOM 503 C ARG A 37 27.877 11.042 -4.279 1.00 0.00 C ATOM 504 O ARG A 37 27.169 11.840 -3.665 1.00 0.00 O ATOM 505 CB ARG A 37 26.623 11.150 -6.441 1.00 0.00 C ATOM 506 CG ARG A 37 27.555 11.775 -7.466 1.00 0.00 C ATOM 507 CD ARG A 37 28.205 13.041 -6.930 1.00 0.00 C ATOM 508 NE ARG A 37 28.891 13.790 -7.979 1.00 0.00 N ATOM 509 CZ ARG A 37 29.872 14.655 -7.742 1.00 0.00 C ATOM 510 NH1 ARG A 37 30.279 14.878 -6.500 1.00 0.00 N ATOM 511 NH2 ARG A 37 30.447 15.299 -8.750 1.00 0.00 N ATOM 0 H ARG A 37 25.548 9.542 -4.589 1.00 0.00 H new ATOM 0 HA ARG A 37 28.170 9.741 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 37 25.851 10.584 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 37 26.119 11.944 -5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.327 11.057 -7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 37 26.997 12.007 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 37 27.444 13.673 -6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 37 28.917 12.780 -6.147 1.00 0.00 H new ATOM 0 HE ARG A 37 28.602 13.641 -8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 37 29.839 14.385 -5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 37 31.032 15.542 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 37 30.136 15.130 -9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 37 31.200 15.963 -8.568 1.00 0.00 H new ATOM 525 N PRO A 38 29.164 10.838 -3.963 1.00 0.00 N ATOM 526 CA PRO A 38 29.831 11.544 -2.865 1.00 0.00 C ATOM 527 C PRO A 38 30.039 13.024 -3.169 1.00 0.00 C ATOM 528 O PRO A 38 30.569 13.383 -4.222 1.00 0.00 O ATOM 529 CB PRO A 38 31.178 10.827 -2.749 1.00 0.00 C ATOM 530 CG PRO A 38 31.422 10.256 -4.103 1.00 0.00 C ATOM 531 CD PRO A 38 30.068 9.901 -4.652 1.00 0.00 C ATOM 0 HA PRO A 38 29.241 11.523 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.971 11.518 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.146 10.046 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.927 10.977 -4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.063 9.376 -4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.028 10.026 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.808 8.864 -4.441 1.00 0.00 H new ATOM 539 N LEU A 39 29.620 13.878 -2.243 1.00 0.00 N ATOM 540 CA LEU A 39 29.761 15.320 -2.412 1.00 0.00 C ATOM 541 C LEU A 39 30.575 15.925 -1.272 1.00 0.00 C ATOM 542 O LEU A 39 30.620 15.379 -0.170 1.00 0.00 O ATOM 543 CB LEU A 39 28.384 15.983 -2.479 1.00 0.00 C ATOM 544 CG LEU A 39 27.770 16.116 -3.873 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.935 14.889 -4.207 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.927 17.379 -3.967 1.00 0.00 C ATOM 0 H LEU A 39 29.180 13.597 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 39 30.290 15.501 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.697 15.412 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.460 16.978 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 39 28.579 16.189 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.506 15.001 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.567 14.001 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.133 14.784 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.498 17.457 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.125 17.337 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.553 18.250 -3.772 1.00 0.00 H new ATOM 558 N VAL A 40 31.214 17.058 -1.544 1.00 0.00 N ATOM 559 CA VAL A 40 32.023 17.740 -0.541 1.00 0.00 C ATOM 560 C VAL A 40 31.463 17.519 0.860 1.00 0.00 C ATOM 561 O VAL A 40 32.022 16.760 1.652 1.00 0.00 O ATOM 562 CB VAL A 40 32.103 19.253 -0.817 1.00 0.00 C ATOM 563 CG1 VAL A 40 33.026 19.931 0.183 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.567 19.510 -2.243 1.00 0.00 C ATOM 0 H VAL A 40 31.187 17.523 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 40 33.025 17.314 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 40 31.106 19.679 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 40 33.070 20.999 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.645 19.776 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 40 34.026 19.504 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.618 20.584 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.554 19.071 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.862 19.059 -2.942 1.00 0.00 H new ATOM 574 N THR A 41 30.353 18.186 1.159 1.00 0.00 N ATOM 575 CA THR A 41 29.716 18.064 2.464 1.00 0.00 C ATOM 576 C THR A 41 28.336 17.428 2.345 1.00 0.00 C ATOM 577 O THR A 41 27.466 17.647 3.188 1.00 0.00 O ATOM 578 CB THR A 41 29.579 19.435 3.153 1.00 0.00 C ATOM 579 OG1 THR A 41 28.824 20.326 2.325 1.00 0.00 O ATOM 580 CG2 THR A 41 30.947 20.036 3.439 1.00 0.00 C ATOM 0 H THR A 41 29.876 18.817 0.514 1.00 0.00 H new ATOM 0 HA THR A 41 30.357 17.424 3.070 1.00 0.00 H new ATOM 0 HB THR A 41 29.058 19.291 4.100 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.740 21.195 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.825 21.004 3.926 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.508 19.369 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.490 20.167 2.503 1.00 0.00 H new ATOM 588 N SER A 42 28.142 16.638 1.294 1.00 0.00 N ATOM 589 CA SER A 42 26.865 15.972 1.063 1.00 0.00 C ATOM 590 C SER A 42 27.065 14.663 0.305 1.00 0.00 C ATOM 591 O SER A 42 28.189 14.301 -0.046 1.00 0.00 O ATOM 592 CB SER A 42 25.922 16.888 0.281 1.00 0.00 C ATOM 593 OG SER A 42 25.903 18.193 0.834 1.00 0.00 O ATOM 0 H SER A 42 28.853 16.443 0.589 1.00 0.00 H new ATOM 0 HA SER A 42 26.420 15.747 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 42 26.238 16.936 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.915 16.471 0.290 1.00 0.00 H new ATOM 0 HG SER A 42 25.294 18.759 0.315 1.00 0.00 H new ATOM 599 N ILE A 43 25.967 13.957 0.058 1.00 0.00 N ATOM 600 CA ILE A 43 26.021 12.688 -0.659 1.00 0.00 C ATOM 601 C ILE A 43 24.667 12.346 -1.273 1.00 0.00 C ATOM 602 O ILE A 43 23.701 12.074 -0.560 1.00 0.00 O ATOM 603 CB ILE A 43 26.458 11.537 0.266 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.858 11.804 0.822 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.422 10.213 -0.482 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.407 10.664 1.650 1.00 0.00 C ATOM 0 H ILE A 43 25.030 14.241 0.343 1.00 0.00 H new ATOM 0 HA ILE A 43 26.759 12.805 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 43 25.761 11.478 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.538 12.000 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.831 12.706 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.734 9.409 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.408 10.021 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.099 10.259 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.402 10.923 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.749 10.481 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.466 9.765 1.037 1.00 0.00 H new ATOM 618 N VAL A 44 24.605 12.361 -2.600 1.00 0.00 N ATOM 619 CA VAL A 44 23.371 12.049 -3.311 1.00 0.00 C ATOM 620 C VAL A 44 23.199 10.544 -3.480 1.00 0.00 C ATOM 621 O VAL A 44 23.789 9.936 -4.374 1.00 0.00 O ATOM 622 CB VAL A 44 23.339 12.717 -4.699 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.064 12.346 -5.441 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.468 14.227 -4.566 1.00 0.00 C ATOM 0 H VAL A 44 25.395 12.586 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 44 22.551 12.440 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 44 24.187 12.352 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.059 12.827 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.019 11.264 -5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.199 12.680 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.444 14.683 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.641 14.612 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.412 14.470 -4.078 1.00 0.00 H new ATOM 634 N VAL A 45 22.386 9.946 -2.615 1.00 0.00 N ATOM 635 CA VAL A 45 22.134 8.511 -2.668 1.00 0.00 C ATOM 636 C VAL A 45 20.930 8.196 -3.549 1.00 0.00 C ATOM 637 O VAL A 45 19.784 8.329 -3.122 1.00 0.00 O ATOM 638 CB VAL A 45 21.893 7.931 -1.262 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.568 6.447 -1.345 1.00 0.00 C ATOM 640 CG2 VAL A 45 23.102 8.171 -0.372 1.00 0.00 C ATOM 0 H VAL A 45 21.890 10.434 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 45 23.024 8.049 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 45 21.038 8.442 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.401 6.054 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.669 6.304 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.401 5.917 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.914 7.755 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.977 7.689 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.284 9.242 -0.286 1.00 0.00 H new ATOM 650 N SER A 46 21.200 7.779 -4.782 1.00 0.00 N ATOM 651 CA SER A 46 20.138 7.448 -5.726 1.00 0.00 C ATOM 652 C SER A 46 19.943 5.938 -5.817 1.00 0.00 C ATOM 653 O SER A 46 20.909 5.175 -5.821 1.00 0.00 O ATOM 654 CB SER A 46 20.462 8.016 -7.109 1.00 0.00 C ATOM 655 OG SER A 46 21.319 7.148 -7.829 1.00 0.00 O ATOM 0 H SER A 46 22.144 7.662 -5.151 1.00 0.00 H new ATOM 0 HA SER A 46 19.212 7.895 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.539 8.167 -7.669 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.934 8.993 -7.003 1.00 0.00 H new ATOM 0 HG SER A 46 22.207 7.555 -7.905 1.00 0.00 H new ATOM 661 N TRP A 47 18.687 5.513 -5.889 1.00 0.00 N ATOM 662 CA TRP A 47 18.363 4.094 -5.979 1.00 0.00 C ATOM 663 C TRP A 47 17.232 3.856 -6.973 1.00 0.00 C ATOM 664 O TRP A 47 16.715 4.795 -7.579 1.00 0.00 O ATOM 665 CB TRP A 47 17.974 3.550 -4.604 1.00 0.00 C ATOM 666 CG TRP A 47 16.749 4.198 -4.033 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.452 3.819 -4.235 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.706 5.339 -3.169 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.606 4.657 -3.549 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.351 5.596 -2.886 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.681 6.166 -2.606 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.949 6.647 -2.066 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.280 7.209 -1.792 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.924 7.441 -1.527 1.00 0.00 C ATOM 0 H TRP A 47 17.876 6.131 -5.887 1.00 0.00 H new ATOM 0 HA TRP A 47 19.249 3.566 -6.333 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.806 2.476 -4.681 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.807 3.694 -3.916 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.138 2.984 -4.844 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.588 4.591 -3.536 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.729 5.994 -2.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.904 6.829 -1.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 18.025 7.856 -1.353 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.643 8.263 -0.885 1.00 0.00 H new ATOM 685 N THR A 48 16.849 2.593 -7.136 1.00 0.00 N ATOM 686 CA THR A 48 15.779 2.232 -8.057 1.00 0.00 C ATOM 687 C THR A 48 14.940 1.086 -7.503 1.00 0.00 C ATOM 688 O THR A 48 15.411 0.262 -6.719 1.00 0.00 O ATOM 689 CB THR A 48 16.336 1.825 -9.434 1.00 0.00 C ATOM 690 OG1 THR A 48 17.275 0.754 -9.286 1.00 0.00 O ATOM 691 CG2 THR A 48 17.010 3.007 -10.116 1.00 0.00 C ATOM 0 H THR A 48 17.264 1.803 -6.642 1.00 0.00 H new ATOM 0 HA THR A 48 15.151 3.116 -8.174 1.00 0.00 H new ATOM 0 HB THR A 48 15.503 1.494 -10.055 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.623 0.500 -10.166 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.396 2.696 -11.087 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.285 3.809 -10.254 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.833 3.364 -9.496 1.00 0.00 H new ATOM 699 N PRO A 49 13.665 1.031 -7.917 1.00 0.00 N ATOM 700 CA PRO A 49 12.734 -0.011 -7.475 1.00 0.00 C ATOM 701 C PRO A 49 13.082 -1.381 -8.046 1.00 0.00 C ATOM 702 O PRO A 49 13.813 -1.503 -9.030 1.00 0.00 O ATOM 703 CB PRO A 49 11.384 0.466 -8.016 1.00 0.00 C ATOM 704 CG PRO A 49 11.727 1.321 -9.188 1.00 0.00 C ATOM 705 CD PRO A 49 13.036 1.980 -8.850 1.00 0.00 C ATOM 0 HA PRO A 49 12.753 -0.141 -6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.756 -0.375 -8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.832 1.029 -7.263 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.814 0.723 -10.095 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.951 2.065 -9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.648 2.136 -9.738 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.887 2.957 -8.390 1.00 0.00 H new ATOM 713 N PRO A 50 12.548 -2.439 -7.418 1.00 0.00 N ATOM 714 CA PRO A 50 12.788 -3.820 -7.848 1.00 0.00 C ATOM 715 C PRO A 50 12.108 -4.140 -9.175 1.00 0.00 C ATOM 716 O PRO A 50 10.906 -3.930 -9.333 1.00 0.00 O ATOM 717 CB PRO A 50 12.178 -4.654 -6.719 1.00 0.00 C ATOM 718 CG PRO A 50 11.142 -3.772 -6.113 1.00 0.00 C ATOM 719 CD PRO A 50 11.667 -2.368 -6.240 1.00 0.00 C ATOM 0 HA PRO A 50 13.847 -4.017 -8.017 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.739 -5.576 -7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.932 -4.940 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.188 -3.880 -6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.971 -4.032 -5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.861 -1.649 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.213 -2.061 -5.348 1.00 0.00 H new ATOM 727 N GLU A 51 12.885 -4.651 -10.125 1.00 0.00 N ATOM 728 CA GLU A 51 12.356 -5.000 -11.438 1.00 0.00 C ATOM 729 C GLU A 51 11.001 -5.690 -11.312 1.00 0.00 C ATOM 730 O GLU A 51 10.112 -5.491 -12.140 1.00 0.00 O ATOM 731 CB GLU A 51 13.336 -5.909 -12.182 1.00 0.00 C ATOM 732 CG GLU A 51 13.966 -6.975 -11.302 1.00 0.00 C ATOM 733 CD GLU A 51 14.754 -7.998 -12.097 1.00 0.00 C ATOM 734 OE1 GLU A 51 15.671 -7.592 -12.841 1.00 0.00 O ATOM 735 OE2 GLU A 51 14.454 -9.204 -11.976 1.00 0.00 O ATOM 0 H GLU A 51 13.882 -4.832 -10.010 1.00 0.00 H new ATOM 0 HA GLU A 51 12.224 -4.079 -12.005 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.814 -6.393 -13.007 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.125 -5.297 -12.619 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.625 -6.499 -10.576 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.184 -7.483 -10.737 1.00 0.00 H new ATOM 742 N ASN A 52 10.851 -6.503 -10.271 1.00 0.00 N ATOM 743 CA ASN A 52 9.605 -7.224 -10.038 1.00 0.00 C ATOM 744 C ASN A 52 8.497 -6.268 -9.606 1.00 0.00 C ATOM 745 O ASN A 52 8.395 -5.910 -8.433 1.00 0.00 O ATOM 746 CB ASN A 52 9.808 -8.302 -8.971 1.00 0.00 C ATOM 747 CG ASN A 52 8.587 -9.185 -8.802 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.509 -8.711 -8.445 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.751 -10.478 -9.059 1.00 0.00 N ATOM 0 H ASN A 52 11.576 -6.679 -9.576 1.00 0.00 H new ATOM 0 HA ASN A 52 9.308 -7.699 -10.973 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.665 -8.919 -9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.044 -7.827 -8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.965 -11.121 -8.963 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.663 -10.828 -9.353 1.00 0.00 H new ATOM 756 N GLN A 53 7.668 -5.861 -10.562 1.00 0.00 N ATOM 757 CA GLN A 53 6.568 -4.947 -10.281 1.00 0.00 C ATOM 758 C GLN A 53 5.354 -5.704 -9.750 1.00 0.00 C ATOM 759 O GLN A 53 4.215 -5.374 -10.074 1.00 0.00 O ATOM 760 CB GLN A 53 6.187 -4.170 -11.542 1.00 0.00 C ATOM 761 CG GLN A 53 7.003 -2.904 -11.746 1.00 0.00 C ATOM 762 CD GLN A 53 6.833 -1.911 -10.613 1.00 0.00 C ATOM 763 OE1 GLN A 53 7.677 -2.024 -9.594 1.00 0.00 O flip ATOM 764 NE2 GLN A 53 5.952 -1.051 -10.653 1.00 0.00 N flip ATOM 0 H GLN A 53 7.738 -6.150 -11.538 1.00 0.00 H new ATOM 0 HA GLN A 53 6.899 -4.244 -9.516 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.313 -4.817 -12.410 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.130 -3.907 -11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.057 -3.167 -11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.708 -2.433 -12.684 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.325 -1.000 -11.456 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.850 -0.390 -9.883 1.00 0.00 H new ATOM 773 N ASN A 54 5.609 -6.721 -8.933 1.00 0.00 N ATOM 774 CA ASN A 54 4.537 -7.526 -8.358 1.00 0.00 C ATOM 775 C ASN A 54 4.601 -7.508 -6.834 1.00 0.00 C ATOM 776 O ASN A 54 3.611 -7.785 -6.157 1.00 0.00 O ATOM 777 CB ASN A 54 4.623 -8.966 -8.867 1.00 0.00 C ATOM 778 CG ASN A 54 4.940 -9.038 -10.348 1.00 0.00 C ATOM 779 OD1 ASN A 54 5.948 -9.620 -10.750 1.00 0.00 O ATOM 780 ND2 ASN A 54 4.080 -8.445 -11.167 1.00 0.00 N ATOM 0 H ASN A 54 6.548 -7.007 -8.654 1.00 0.00 H new ATOM 0 HA ASN A 54 3.585 -7.095 -8.669 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.390 -9.501 -8.308 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.677 -9.473 -8.676 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.241 -8.460 -12.174 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.258 -7.974 -10.789 1.00 0.00 H new ATOM 787 N ILE A 55 5.773 -7.180 -6.301 1.00 0.00 N ATOM 788 CA ILE A 55 5.967 -7.125 -4.857 1.00 0.00 C ATOM 789 C ILE A 55 5.559 -5.766 -4.299 1.00 0.00 C ATOM 790 O ILE A 55 6.003 -4.725 -4.784 1.00 0.00 O ATOM 791 CB ILE A 55 7.432 -7.406 -4.474 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.896 -8.730 -5.084 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.588 -7.430 -2.961 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.399 -8.903 -5.080 1.00 0.00 C ATOM 0 H ILE A 55 6.603 -6.948 -6.847 1.00 0.00 H new ATOM 0 HA ILE A 55 5.333 -7.898 -4.424 1.00 0.00 H new ATOM 0 HB ILE A 55 8.056 -6.606 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.442 -9.554 -4.533 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.534 -8.795 -6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.629 -7.630 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.292 -6.465 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.955 -8.212 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.656 -9.863 -5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.859 -8.100 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.766 -8.870 -4.054 1.00 0.00 H new ATOM 806 N VAL A 56 4.711 -5.782 -3.276 1.00 0.00 N ATOM 807 CA VAL A 56 4.245 -4.551 -2.649 1.00 0.00 C ATOM 808 C VAL A 56 5.358 -3.888 -1.846 1.00 0.00 C ATOM 809 O VAL A 56 5.737 -4.367 -0.777 1.00 0.00 O ATOM 810 CB VAL A 56 3.043 -4.813 -1.722 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.612 -3.529 -1.030 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.889 -5.419 -2.505 1.00 0.00 C ATOM 0 H VAL A 56 4.332 -6.635 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 56 3.935 -3.884 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 56 3.346 -5.526 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.762 -3.734 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.439 -3.141 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.326 -2.790 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.048 -5.598 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.584 -4.732 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.206 -6.363 -2.948 1.00 0.00 H new ATOM 822 N VAL A 57 5.878 -2.781 -2.367 1.00 0.00 N ATOM 823 CA VAL A 57 6.948 -2.050 -1.698 1.00 0.00 C ATOM 824 C VAL A 57 6.413 -0.793 -1.021 1.00 0.00 C ATOM 825 O VAL A 57 5.953 0.135 -1.687 1.00 0.00 O ATOM 826 CB VAL A 57 8.061 -1.655 -2.686 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.164 -0.891 -1.969 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.619 -2.887 -3.381 1.00 0.00 C ATOM 0 H VAL A 57 5.576 -2.371 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 57 7.364 -2.717 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 57 7.633 -1.001 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.942 -0.620 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.750 0.013 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.592 -1.518 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.404 -2.589 -4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.032 -3.569 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.821 -3.388 -3.929 1.00 0.00 H new ATOM 838 N ARG A 58 6.478 -0.769 0.306 1.00 0.00 N ATOM 839 CA ARG A 58 6.001 0.374 1.074 1.00 0.00 C ATOM 840 C ARG A 58 7.053 1.478 1.118 1.00 0.00 C ATOM 841 O ARG A 58 6.741 2.655 0.941 1.00 0.00 O ATOM 842 CB ARG A 58 5.638 -0.055 2.497 1.00 0.00 C ATOM 843 CG ARG A 58 4.640 -1.200 2.551 1.00 0.00 C ATOM 844 CD ARG A 58 3.281 -0.782 2.012 1.00 0.00 C ATOM 845 NE ARG A 58 2.480 -0.095 3.022 1.00 0.00 N ATOM 846 CZ ARG A 58 2.526 1.216 3.230 1.00 0.00 C ATOM 847 NH1 ARG A 58 3.331 1.978 2.503 1.00 0.00 N ATOM 848 NH2 ARG A 58 1.766 1.767 4.168 1.00 0.00 N ATOM 0 H ARG A 58 6.857 -1.529 0.872 1.00 0.00 H new ATOM 0 HA ARG A 58 5.111 0.764 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.547 -0.351 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.226 0.801 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.019 -2.042 1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.534 -1.543 3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.418 -0.128 1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.744 -1.663 1.661 1.00 0.00 H new ATOM 0 HE ARG A 58 1.851 -0.653 3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.917 1.558 1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.364 2.985 2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.146 1.184 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.802 2.774 4.327 1.00 0.00 H new ATOM 862 N GLY A 59 8.302 1.089 1.354 1.00 0.00 N ATOM 863 CA GLY A 59 9.382 2.057 1.417 1.00 0.00 C ATOM 864 C GLY A 59 10.745 1.400 1.502 1.00 0.00 C ATOM 865 O GLY A 59 10.853 0.174 1.496 1.00 0.00 O ATOM 0 H GLY A 59 8.586 0.121 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.345 2.696 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.238 2.701 2.284 1.00 0.00 H new ATOM 869 N TYR A 60 11.790 2.218 1.580 1.00 0.00 N ATOM 870 CA TYR A 60 13.154 1.709 1.662 1.00 0.00 C ATOM 871 C TYR A 60 13.875 2.279 2.879 1.00 0.00 C ATOM 872 O TYR A 60 13.391 3.210 3.522 1.00 0.00 O ATOM 873 CB TYR A 60 13.927 2.054 0.389 1.00 0.00 C ATOM 874 CG TYR A 60 13.173 1.735 -0.883 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.279 2.646 -1.432 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.356 0.522 -1.535 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.588 2.358 -2.592 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.670 0.225 -2.697 1.00 0.00 C ATOM 879 CZ TYR A 60 11.787 1.146 -3.222 1.00 0.00 C ATOM 880 OH TYR A 60 11.101 0.856 -4.379 1.00 0.00 O ATOM 0 H TYR A 60 11.718 3.235 1.588 1.00 0.00 H new ATOM 0 HA TYR A 60 13.105 0.625 1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.172 3.116 0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.871 1.509 0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.122 3.596 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.046 -0.201 -1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.896 3.077 -3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.824 -0.723 -3.192 1.00 0.00 H new ATOM 0 HH TYR A 60 11.356 -0.036 -4.696 1.00 0.00 H new ATOM 890 N ALA A 61 15.038 1.714 3.189 1.00 0.00 N ATOM 891 CA ALA A 61 15.829 2.167 4.326 1.00 0.00 C ATOM 892 C ALA A 61 17.281 2.404 3.925 1.00 0.00 C ATOM 893 O ALA A 61 17.955 1.498 3.435 1.00 0.00 O ATOM 894 CB ALA A 61 15.751 1.155 5.459 1.00 0.00 C ATOM 0 H ALA A 61 15.453 0.941 2.668 1.00 0.00 H new ATOM 0 HA ALA A 61 15.415 3.115 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.346 1.506 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.713 1.038 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.137 0.195 5.117 1.00 0.00 H new ATOM 900 N ILE A 62 17.755 3.627 4.135 1.00 0.00 N ATOM 901 CA ILE A 62 19.128 3.983 3.795 1.00 0.00 C ATOM 902 C ILE A 62 20.021 3.969 5.031 1.00 0.00 C ATOM 903 O ILE A 62 19.629 4.440 6.098 1.00 0.00 O ATOM 904 CB ILE A 62 19.203 5.373 3.136 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.336 5.411 1.875 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.645 5.724 2.805 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.762 6.778 1.578 1.00 0.00 C ATOM 0 H ILE A 62 17.209 4.388 4.539 1.00 0.00 H new ATOM 0 HA ILE A 62 19.482 3.235 3.086 1.00 0.00 H new ATOM 0 HB ILE A 62 18.821 6.114 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.933 5.084 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.518 4.698 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.682 6.709 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.237 5.732 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.051 4.982 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.159 6.730 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.138 7.100 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.574 7.491 1.436 1.00 0.00 H new ATOM 919 N GLY A 63 21.226 3.428 4.878 1.00 0.00 N ATOM 920 CA GLY A 63 22.157 3.365 5.989 1.00 0.00 C ATOM 921 C GLY A 63 23.563 3.768 5.591 1.00 0.00 C ATOM 922 O GLY A 63 24.141 3.197 4.666 1.00 0.00 O ATOM 0 H GLY A 63 21.574 3.032 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.808 4.018 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.172 2.351 6.389 1.00 0.00 H new ATOM 926 N TYR A 64 24.114 4.755 6.289 1.00 0.00 N ATOM 927 CA TYR A 64 25.460 5.237 6.000 1.00 0.00 C ATOM 928 C TYR A 64 26.332 5.198 7.251 1.00 0.00 C ATOM 929 O TYR A 64 25.848 4.938 8.351 1.00 0.00 O ATOM 930 CB TYR A 64 25.406 6.661 5.445 1.00 0.00 C ATOM 931 CG TYR A 64 24.570 7.605 6.280 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.187 7.478 6.332 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.162 8.623 7.017 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.419 8.338 7.092 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.402 9.486 7.782 1.00 0.00 C ATOM 936 CZ TYR A 64 23.031 9.340 7.816 1.00 0.00 C ATOM 937 OH TYR A 64 22.270 10.199 8.575 1.00 0.00 O ATOM 0 H TYR A 64 23.650 5.237 7.059 1.00 0.00 H new ATOM 0 HA TYR A 64 25.902 4.580 5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.421 7.053 5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.004 6.632 4.432 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.705 6.693 5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.235 8.742 6.991 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.345 8.227 7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.879 10.271 8.350 1.00 0.00 H new ATOM 0 HH TYR A 64 22.855 10.845 9.023 1.00 0.00 H new ATOM 947 N GLY A 65 27.624 5.459 7.072 1.00 0.00 N ATOM 948 CA GLY A 65 28.545 5.450 8.193 1.00 0.00 C ATOM 949 C GLY A 65 29.966 5.131 7.774 1.00 0.00 C ATOM 950 O GLY A 65 30.186 4.346 6.852 1.00 0.00 O ATOM 0 H GLY A 65 28.049 5.676 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.524 6.423 8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.212 4.716 8.927 1.00 0.00 H new ATOM 954 N ILE A 66 30.932 5.743 8.450 1.00 0.00 N ATOM 955 CA ILE A 66 32.339 5.520 8.142 1.00 0.00 C ATOM 956 C ILE A 66 32.700 4.043 8.257 1.00 0.00 C ATOM 957 O ILE A 66 32.817 3.506 9.358 1.00 0.00 O ATOM 958 CB ILE A 66 33.256 6.335 9.073 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.989 7.832 8.904 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.716 6.016 8.790 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.199 8.328 7.491 1.00 0.00 C ATOM 0 H ILE A 66 30.766 6.397 9.215 1.00 0.00 H new ATOM 0 HA ILE A 66 32.493 5.850 7.115 1.00 0.00 H new ATOM 0 HB ILE A 66 33.038 6.061 10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 66 31.964 8.046 9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 66 33.643 8.387 9.576 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.352 6.600 9.456 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.895 4.954 8.956 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.949 6.266 7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.992 9.397 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 66 34.231 8.146 7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 66 32.526 7.799 6.816 1.00 0.00 H new ATOM 973 N GLY A 67 32.877 3.391 7.112 1.00 0.00 N ATOM 974 CA GLY A 67 33.224 1.982 7.107 1.00 0.00 C ATOM 975 C GLY A 67 32.033 1.090 7.392 1.00 0.00 C ATOM 976 O GLY A 67 31.797 0.111 6.684 1.00 0.00 O ATOM 0 H GLY A 67 32.786 3.813 6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.647 1.719 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.998 1.799 7.853 1.00 0.00 H new ATOM 980 N SER A 68 31.280 1.426 8.435 1.00 0.00 N ATOM 981 CA SER A 68 30.110 0.645 8.817 1.00 0.00 C ATOM 982 C SER A 68 28.834 1.469 8.668 1.00 0.00 C ATOM 983 O SER A 68 28.673 2.525 9.280 1.00 0.00 O ATOM 984 CB SER A 68 30.247 0.152 10.259 1.00 0.00 C ATOM 985 OG SER A 68 31.447 -0.581 10.435 1.00 0.00 O ATOM 0 H SER A 68 31.460 2.234 9.030 1.00 0.00 H new ATOM 0 HA SER A 68 30.046 -0.216 8.151 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.233 1.003 10.940 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.393 -0.475 10.515 1.00 0.00 H new ATOM 0 HG SER A 68 31.512 -0.884 11.365 1.00 0.00 H new ATOM 991 N PRO A 69 27.906 0.976 7.835 1.00 0.00 N ATOM 992 CA PRO A 69 26.628 1.650 7.586 1.00 0.00 C ATOM 993 C PRO A 69 25.704 1.607 8.798 1.00 0.00 C ATOM 994 O PRO A 69 24.579 2.105 8.752 1.00 0.00 O ATOM 995 CB PRO A 69 26.026 0.852 6.427 1.00 0.00 C ATOM 996 CG PRO A 69 26.645 -0.499 6.535 1.00 0.00 C ATOM 997 CD PRO A 69 28.032 -0.278 7.073 1.00 0.00 C ATOM 0 HA PRO A 69 26.762 2.710 7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.940 0.797 6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 69 26.253 1.316 5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 69 26.067 -1.141 7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 69 26.677 -0.992 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 69 28.353 -1.104 7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 69 28.765 -0.189 6.271 1.00 0.00 H new ATOM 1005 N HIS A 70 26.186 1.009 9.883 1.00 0.00 N ATOM 1006 CA HIS A 70 25.403 0.902 11.109 1.00 0.00 C ATOM 1007 C HIS A 70 25.578 2.146 11.976 1.00 0.00 C ATOM 1008 O HIS A 70 25.730 2.049 13.193 1.00 0.00 O ATOM 1009 CB HIS A 70 25.814 -0.343 11.895 1.00 0.00 C ATOM 1010 CG HIS A 70 27.135 -0.206 12.588 1.00 0.00 C ATOM 1011 ND1 HIS A 70 28.142 0.680 12.405 1.00 0.00 N flip ATOM 1012 CD2 HIS A 70 27.544 -1.045 13.602 1.00 0.00 C flip ATOM 1013 CE1 HIS A 70 29.131 0.363 13.304 1.00 0.00 C flip ATOM 1014 NE2 HIS A 70 28.745 -0.681 14.015 1.00 0.00 N flip ATOM 0 H HIS A 70 27.115 0.591 9.938 1.00 0.00 H new ATOM 0 HA HIS A 70 24.352 0.818 10.833 1.00 0.00 H new ATOM 0 HB2 HIS A 70 25.046 -0.565 12.636 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.856 -1.194 11.215 1.00 0.00 H new ATOM 0 HD2 HIS A 70 26.972 -1.871 13.997 1.00 0.00 H new ATOM 0 HE1 HIS A 70 30.071 0.883 13.412 1.00 0.00 H new ATOM 0 HE2 HIS A 70 29.283 -1.130 14.757 1.00 0.00 H new ATOM 1023 N ALA A 71 25.556 3.312 11.339 1.00 0.00 N ATOM 1024 CA ALA A 71 25.711 4.574 12.052 1.00 0.00 C ATOM 1025 C ALA A 71 24.391 5.336 12.113 1.00 0.00 C ATOM 1026 O ALA A 71 23.934 5.716 13.190 1.00 0.00 O ATOM 1027 CB ALA A 71 26.784 5.426 11.390 1.00 0.00 C ATOM 0 H ALA A 71 25.432 3.409 10.331 1.00 0.00 H new ATOM 0 HA ALA A 71 26.019 4.350 13.073 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.889 6.365 11.933 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.733 4.891 11.404 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.499 5.633 10.358 1.00 0.00 H new ATOM 1033 N GLN A 72 23.786 5.555 10.951 1.00 0.00 N ATOM 1034 CA GLN A 72 22.519 6.272 10.873 1.00 0.00 C ATOM 1035 C GLN A 72 21.588 5.625 9.854 1.00 0.00 C ATOM 1036 O GLN A 72 22.038 4.984 8.904 1.00 0.00 O ATOM 1037 CB GLN A 72 22.760 7.737 10.504 1.00 0.00 C ATOM 1038 CG GLN A 72 23.001 8.636 11.705 1.00 0.00 C ATOM 1039 CD GLN A 72 22.014 8.387 12.828 1.00 0.00 C ATOM 1040 OE1 GLN A 72 20.825 8.679 12.701 1.00 0.00 O ATOM 1041 NE2 GLN A 72 22.503 7.843 13.937 1.00 0.00 N ATOM 0 H GLN A 72 24.152 5.246 10.050 1.00 0.00 H new ATOM 0 HA GLN A 72 22.043 6.225 11.853 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.620 7.798 9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.899 8.109 9.949 1.00 0.00 H new ATOM 0 HG2 GLN A 72 24.014 8.478 12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.935 9.678 11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.496 7.617 13.999 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.886 7.652 14.726 1.00 0.00 H new ATOM 1050 N THR A 73 20.285 5.796 10.057 1.00 0.00 N ATOM 1051 CA THR A 73 19.290 5.228 9.156 1.00 0.00 C ATOM 1052 C THR A 73 18.193 6.238 8.840 1.00 0.00 C ATOM 1053 O THR A 73 17.623 6.853 9.742 1.00 0.00 O ATOM 1054 CB THR A 73 18.648 3.962 9.755 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.667 3.071 10.223 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.782 3.254 8.724 1.00 0.00 C ATOM 0 H THR A 73 19.894 6.324 10.838 1.00 0.00 H new ATOM 0 HA THR A 73 19.812 4.963 8.236 1.00 0.00 H new ATOM 0 HB THR A 73 18.016 4.262 10.591 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.251 2.269 10.604 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.340 2.363 9.170 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.990 3.925 8.392 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.395 2.966 7.870 1.00 0.00 H new ATOM 1064 N ILE A 74 17.903 6.406 7.554 1.00 0.00 N ATOM 1065 CA ILE A 74 16.873 7.341 7.119 1.00 0.00 C ATOM 1066 C ILE A 74 15.736 6.615 6.408 1.00 0.00 C ATOM 1067 O ILE A 74 15.935 6.006 5.357 1.00 0.00 O ATOM 1068 CB ILE A 74 17.449 8.416 6.179 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.595 9.163 6.864 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.357 9.387 5.753 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.385 10.049 5.927 1.00 0.00 C ATOM 0 H ILE A 74 18.367 5.907 6.795 1.00 0.00 H new ATOM 0 HA ILE A 74 16.487 7.825 8.016 1.00 0.00 H new ATOM 0 HB ILE A 74 17.841 7.926 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.189 9.773 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.269 8.438 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.779 10.141 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.570 8.843 5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.938 9.873 6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.181 10.547 6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.821 9.442 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.724 10.797 5.490 1.00 0.00 H new ATOM 1083 N LYS A 75 14.542 6.686 6.986 1.00 0.00 N ATOM 1084 CA LYS A 75 13.371 6.039 6.407 1.00 0.00 C ATOM 1085 C LYS A 75 12.521 7.043 5.635 1.00 0.00 C ATOM 1086 O LYS A 75 12.089 8.058 6.183 1.00 0.00 O ATOM 1087 CB LYS A 75 12.531 5.382 7.504 1.00 0.00 C ATOM 1088 CG LYS A 75 13.049 4.020 7.933 1.00 0.00 C ATOM 1089 CD LYS A 75 11.928 3.134 8.449 1.00 0.00 C ATOM 1090 CE LYS A 75 12.458 1.796 8.944 1.00 0.00 C ATOM 1091 NZ LYS A 75 11.361 0.816 9.173 1.00 0.00 N ATOM 0 H LYS A 75 14.360 7.186 7.856 1.00 0.00 H new ATOM 0 HA LYS A 75 13.716 5.272 5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.503 6.041 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.505 5.277 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.539 3.534 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.803 4.145 8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.405 3.642 9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.200 2.967 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.160 1.391 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.011 1.945 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.763 -0.082 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.704 1.191 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.849 0.654 8.283 1.00 0.00 H new ATOM 1105 N VAL A 76 12.283 6.753 4.360 1.00 0.00 N ATOM 1106 CA VAL A 76 11.482 7.629 3.513 1.00 0.00 C ATOM 1107 C VAL A 76 10.547 6.824 2.618 1.00 0.00 C ATOM 1108 O VAL A 76 10.740 5.624 2.420 1.00 0.00 O ATOM 1109 CB VAL A 76 12.372 8.525 2.632 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.241 9.428 3.494 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.228 7.677 1.703 1.00 0.00 C ATOM 0 H VAL A 76 12.634 5.918 3.891 1.00 0.00 H new ATOM 0 HA VAL A 76 10.891 8.258 4.178 1.00 0.00 H new ATOM 0 HB VAL A 76 11.728 9.157 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.863 10.054 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.606 10.061 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.878 8.817 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.851 8.327 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.864 7.019 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.583 7.077 1.060 1.00 0.00 H new ATOM 1121 N ASP A 77 9.532 7.491 2.079 1.00 0.00 N ATOM 1122 CA ASP A 77 8.566 6.838 1.203 1.00 0.00 C ATOM 1123 C ASP A 77 9.262 6.216 -0.004 1.00 0.00 C ATOM 1124 O ASP A 77 10.373 6.606 -0.362 1.00 0.00 O ATOM 1125 CB ASP A 77 7.509 7.841 0.737 1.00 0.00 C ATOM 1126 CG ASP A 77 6.419 8.053 1.769 1.00 0.00 C ATOM 1127 OD1 ASP A 77 6.735 8.538 2.876 1.00 0.00 O ATOM 1128 OD2 ASP A 77 5.249 7.736 1.469 1.00 0.00 O ATOM 0 H ASP A 77 9.357 8.484 2.233 1.00 0.00 H new ATOM 0 HA ASP A 77 8.078 6.044 1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.989 8.795 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.062 7.488 -0.192 1.00 0.00 H new ATOM 1133 N TYR A 78 8.601 5.245 -0.625 1.00 0.00 N ATOM 1134 CA TYR A 78 9.156 4.566 -1.789 1.00 0.00 C ATOM 1135 C TYR A 78 9.377 5.546 -2.938 1.00 0.00 C ATOM 1136 O TYR A 78 10.458 5.601 -3.524 1.00 0.00 O ATOM 1137 CB TYR A 78 8.228 3.437 -2.239 1.00 0.00 C ATOM 1138 CG TYR A 78 6.863 3.915 -2.681 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.842 4.112 -1.760 1.00 0.00 C ATOM 1140 CD2 TYR A 78 6.596 4.170 -4.020 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.594 4.548 -2.160 1.00 0.00 C ATOM 1142 CE2 TYR A 78 5.351 4.608 -4.429 1.00 0.00 C ATOM 1143 CZ TYR A 78 4.353 4.795 -3.495 1.00 0.00 C ATOM 1144 OH TYR A 78 3.111 5.230 -3.897 1.00 0.00 O ATOM 0 H TYR A 78 7.680 4.911 -0.341 1.00 0.00 H new ATOM 0 HA TYR A 78 10.120 4.143 -1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.698 2.897 -3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.108 2.728 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.027 3.921 -0.713 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.375 4.023 -4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.811 4.695 -1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.160 4.803 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 78 3.108 5.358 -4.869 1.00 0.00 H new ATOM 1154 N LYS A 79 8.344 6.318 -3.254 1.00 0.00 N ATOM 1155 CA LYS A 79 8.422 7.299 -4.331 1.00 0.00 C ATOM 1156 C LYS A 79 9.803 7.943 -4.380 1.00 0.00 C ATOM 1157 O LYS A 79 10.431 8.006 -5.437 1.00 0.00 O ATOM 1158 CB LYS A 79 7.351 8.376 -4.146 1.00 0.00 C ATOM 1159 CG LYS A 79 5.967 7.942 -4.598 1.00 0.00 C ATOM 1160 CD LYS A 79 4.944 9.049 -4.403 1.00 0.00 C ATOM 1161 CE LYS A 79 3.545 8.486 -4.205 1.00 0.00 C ATOM 1162 NZ LYS A 79 2.704 9.377 -3.359 1.00 0.00 N ATOM 0 H LYS A 79 7.442 6.284 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 79 8.248 6.781 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.309 8.657 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.643 9.266 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.000 7.656 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.660 7.059 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.220 9.653 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.952 9.710 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.068 8.350 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.612 7.502 -3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.758 8.959 -3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.146 9.487 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.619 10.309 -3.814 1.00 0.00 H new ATOM 1176 N GLN A 80 10.271 8.419 -3.231 1.00 0.00 N ATOM 1177 CA GLN A 80 11.579 9.057 -3.145 1.00 0.00 C ATOM 1178 C GLN A 80 12.588 8.357 -4.049 1.00 0.00 C ATOM 1179 O GLN A 80 12.961 7.209 -3.806 1.00 0.00 O ATOM 1180 CB GLN A 80 12.080 9.049 -1.699 1.00 0.00 C ATOM 1181 CG GLN A 80 11.413 10.094 -0.818 1.00 0.00 C ATOM 1182 CD GLN A 80 11.373 11.464 -1.466 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.405 12.115 -1.632 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.179 11.909 -1.837 1.00 0.00 N ATOM 0 H GLN A 80 9.764 8.375 -2.347 1.00 0.00 H new ATOM 0 HA GLN A 80 11.474 10.089 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.910 8.062 -1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.157 9.217 -1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.396 9.775 -0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.948 10.160 0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.350 11.336 -1.680 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.090 12.824 -2.279 1.00 0.00 H new ATOM 1193 N ARG A 81 13.025 9.054 -5.092 1.00 0.00 N ATOM 1194 CA ARG A 81 13.989 8.498 -6.033 1.00 0.00 C ATOM 1195 C ARG A 81 15.385 8.454 -5.419 1.00 0.00 C ATOM 1196 O ARG A 81 16.124 7.486 -5.599 1.00 0.00 O ATOM 1197 CB ARG A 81 14.013 9.325 -7.320 1.00 0.00 C ATOM 1198 CG ARG A 81 15.253 9.097 -8.168 1.00 0.00 C ATOM 1199 CD ARG A 81 15.270 7.699 -8.767 1.00 0.00 C ATOM 1200 NE ARG A 81 14.254 7.535 -9.803 1.00 0.00 N ATOM 1201 CZ ARG A 81 14.300 8.149 -10.980 1.00 0.00 C ATOM 1202 NH1 ARG A 81 15.307 8.963 -11.268 1.00 0.00 N ATOM 1203 NH2 ARG A 81 13.338 7.950 -11.872 1.00 0.00 N ATOM 0 H ARG A 81 12.727 10.005 -5.307 1.00 0.00 H new ATOM 0 HA ARG A 81 13.682 7.479 -6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.130 9.086 -7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.948 10.382 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.289 9.837 -8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 81 16.144 9.243 -7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.254 7.498 -9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.105 6.965 -7.978 1.00 0.00 H new ATOM 0 HE ARG A 81 13.466 6.915 -9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.048 9.119 -10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.340 9.433 -12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.562 7.325 -11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.375 8.422 -12.775 1.00 0.00 H new ATOM 1217 N TYR A 82 15.740 9.509 -4.693 1.00 0.00 N ATOM 1218 CA TYR A 82 17.048 9.592 -4.055 1.00 0.00 C ATOM 1219 C TYR A 82 17.009 10.531 -2.853 1.00 0.00 C ATOM 1220 O TYR A 82 16.061 11.298 -2.680 1.00 0.00 O ATOM 1221 CB TYR A 82 18.099 10.074 -5.057 1.00 0.00 C ATOM 1222 CG TYR A 82 18.053 11.563 -5.313 1.00 0.00 C ATOM 1223 CD1 TYR A 82 17.125 12.110 -6.190 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.939 12.424 -4.677 1.00 0.00 C ATOM 1225 CE1 TYR A 82 17.081 13.470 -6.428 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.901 13.786 -4.907 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.971 14.304 -5.783 1.00 0.00 C ATOM 1228 OH TYR A 82 17.929 15.659 -6.016 1.00 0.00 O ATOM 0 H TYR A 82 15.140 10.318 -4.532 1.00 0.00 H new ATOM 0 HA TYR A 82 17.317 8.595 -3.707 1.00 0.00 H new ATOM 0 HB2 TYR A 82 19.090 9.808 -4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.958 9.547 -6.001 1.00 0.00 H new ATOM 0 HD1 TYR A 82 16.425 11.460 -6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.670 12.022 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 82 16.354 13.878 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 82 19.596 14.441 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 82 18.621 16.104 -5.483 1.00 0.00 H new ATOM 1238 N TYR A 83 18.045 10.464 -2.024 1.00 0.00 N ATOM 1239 CA TYR A 83 18.130 11.305 -0.837 1.00 0.00 C ATOM 1240 C TYR A 83 19.484 12.003 -0.759 1.00 0.00 C ATOM 1241 O TYR A 83 20.516 11.423 -1.098 1.00 0.00 O ATOM 1242 CB TYR A 83 17.902 10.469 0.424 1.00 0.00 C ATOM 1243 CG TYR A 83 17.711 11.298 1.674 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.803 11.784 2.382 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.438 11.595 2.147 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.633 12.541 3.525 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.259 12.352 3.288 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.359 12.823 3.974 1.00 0.00 C ATOM 1249 OH TYR A 83 17.186 13.578 5.111 1.00 0.00 O ATOM 0 H TYR A 83 18.838 9.835 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 83 17.353 12.066 -0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.024 9.839 0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.753 9.803 0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.802 11.566 2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.574 11.227 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.493 12.910 4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.263 12.574 3.641 1.00 0.00 H new ATOM 0 HH TYR A 83 16.228 13.686 5.290 1.00 0.00 H new ATOM 1259 N THR A 84 19.473 13.254 -0.309 1.00 0.00 N ATOM 1260 CA THR A 84 20.698 14.034 -0.187 1.00 0.00 C ATOM 1261 C THR A 84 21.128 14.157 1.271 1.00 0.00 C ATOM 1262 O THR A 84 20.535 14.913 2.041 1.00 0.00 O ATOM 1263 CB THR A 84 20.529 15.445 -0.781 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.108 15.354 -2.146 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.830 16.227 -0.697 1.00 0.00 C ATOM 0 H THR A 84 18.628 13.749 -0.023 1.00 0.00 H new ATOM 0 HA THR A 84 21.467 13.503 -0.747 1.00 0.00 H new ATOM 0 HB THR A 84 19.770 15.971 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.001 16.255 -2.516 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.686 17.220 -1.123 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.132 16.320 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.606 15.703 -1.254 1.00 0.00 H new ATOM 1273 N ILE A 85 22.162 13.410 1.643 1.00 0.00 N ATOM 1274 CA ILE A 85 22.672 13.437 3.008 1.00 0.00 C ATOM 1275 C ILE A 85 23.710 14.540 3.185 1.00 0.00 C ATOM 1276 O ILE A 85 24.846 14.416 2.727 1.00 0.00 O ATOM 1277 CB ILE A 85 23.301 12.088 3.402 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.350 10.938 3.060 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.645 12.076 4.884 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.011 9.578 3.091 1.00 0.00 C ATOM 0 H ILE A 85 22.663 12.779 1.018 1.00 0.00 H new ATOM 0 HA ILE A 85 21.820 13.634 3.659 1.00 0.00 H new ATOM 0 HB ILE A 85 24.222 11.954 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.517 10.944 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.931 11.107 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.089 11.116 5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.355 12.875 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.738 12.229 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.278 8.811 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.826 9.553 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.406 9.388 4.089 1.00 0.00 H new ATOM 1292 N GLU A 86 23.313 15.618 3.854 1.00 0.00 N ATOM 1293 CA GLU A 86 24.210 16.742 4.092 1.00 0.00 C ATOM 1294 C GLU A 86 24.748 16.716 5.520 1.00 0.00 C ATOM 1295 O GLU A 86 24.295 15.930 6.350 1.00 0.00 O ATOM 1296 CB GLU A 86 23.487 18.065 3.832 1.00 0.00 C ATOM 1297 CG GLU A 86 22.903 18.175 2.433 1.00 0.00 C ATOM 1298 CD GLU A 86 21.787 19.198 2.345 1.00 0.00 C ATOM 1299 OE1 GLU A 86 21.739 20.098 3.210 1.00 0.00 O ATOM 1300 OE2 GLU A 86 20.963 19.099 1.413 1.00 0.00 O ATOM 0 H GLU A 86 22.376 15.736 4.240 1.00 0.00 H new ATOM 0 HA GLU A 86 25.051 16.654 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.685 18.181 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 86 24.184 18.888 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.694 18.445 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.523 17.201 2.124 1.00 0.00 H new ATOM 1307 N ASN A 87 25.718 17.582 5.797 1.00 0.00 N ATOM 1308 CA ASN A 87 26.318 17.658 7.123 1.00 0.00 C ATOM 1309 C ASN A 87 27.239 16.467 7.373 1.00 0.00 C ATOM 1310 O ASN A 87 27.194 15.845 8.435 1.00 0.00 O ATOM 1311 CB ASN A 87 25.230 17.709 8.197 1.00 0.00 C ATOM 1312 CG ASN A 87 24.096 18.645 7.827 1.00 0.00 C ATOM 1313 OD1 ASN A 87 24.297 19.849 7.666 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.895 18.095 7.689 1.00 0.00 N ATOM 0 H ASN A 87 26.105 18.240 5.121 1.00 0.00 H new ATOM 0 HA ASN A 87 26.911 18.571 7.173 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.833 16.706 8.356 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.670 18.031 9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.094 18.675 7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.774 17.092 7.832 1.00 0.00 H new ATOM 1321 N LEU A 88 28.074 16.156 6.388 1.00 0.00 N ATOM 1322 CA LEU A 88 29.007 15.040 6.500 1.00 0.00 C ATOM 1323 C LEU A 88 30.449 15.520 6.368 1.00 0.00 C ATOM 1324 O LEU A 88 30.711 16.582 5.803 1.00 0.00 O ATOM 1325 CB LEU A 88 28.707 13.990 5.428 1.00 0.00 C ATOM 1326 CG LEU A 88 27.259 13.504 5.351 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.039 12.680 4.092 1.00 0.00 C ATOM 1328 CD2 LEU A 88 26.901 12.695 6.589 1.00 0.00 C ATOM 0 H LEU A 88 28.124 16.661 5.503 1.00 0.00 H new ATOM 0 HA LEU A 88 28.882 14.591 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.983 14.402 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.350 13.127 5.603 1.00 0.00 H new ATOM 0 HG LEU A 88 26.605 14.375 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.003 12.343 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.254 13.291 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.702 11.815 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.867 12.358 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 88 27.561 11.830 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.018 13.317 7.476 1.00 0.00 H new ATOM 1340 N ASP A 89 31.379 14.730 6.892 1.00 0.00 N ATOM 1341 CA ASP A 89 32.796 15.072 6.830 1.00 0.00 C ATOM 1342 C ASP A 89 33.368 14.770 5.449 1.00 0.00 C ATOM 1343 O ASP A 89 33.333 13.636 4.970 1.00 0.00 O ATOM 1344 CB ASP A 89 33.575 14.304 7.899 1.00 0.00 C ATOM 1345 CG ASP A 89 33.481 14.955 9.265 1.00 0.00 C ATOM 1346 OD1 ASP A 89 32.368 14.989 9.829 1.00 0.00 O ATOM 1347 OD2 ASP A 89 34.520 15.431 9.768 1.00 0.00 O ATOM 0 H ASP A 89 31.178 13.849 7.364 1.00 0.00 H new ATOM 0 HA ASP A 89 32.895 16.141 7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.195 13.284 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 89 34.622 14.237 7.603 1.00 0.00 H new ATOM 1352 N PRO A 90 33.908 15.807 4.792 1.00 0.00 N ATOM 1353 CA PRO A 90 34.498 15.678 3.456 1.00 0.00 C ATOM 1354 C PRO A 90 35.800 14.884 3.472 1.00 0.00 C ATOM 1355 O PRO A 90 36.328 14.562 4.536 1.00 0.00 O ATOM 1356 CB PRO A 90 34.760 17.128 3.042 1.00 0.00 C ATOM 1357 CG PRO A 90 34.903 17.869 4.327 1.00 0.00 C ATOM 1358 CD PRO A 90 33.984 17.186 5.302 1.00 0.00 C ATOM 0 HA PRO A 90 33.844 15.137 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.662 17.210 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 90 33.938 17.524 2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.934 17.844 4.679 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.633 18.918 4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.380 17.218 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.002 17.659 5.328 1.00 0.00 H new ATOM 1366 N SER A 91 36.312 14.573 2.286 1.00 0.00 N ATOM 1367 CA SER A 91 37.552 13.814 2.164 1.00 0.00 C ATOM 1368 C SER A 91 37.504 12.555 3.024 1.00 0.00 C ATOM 1369 O SER A 91 38.379 12.328 3.860 1.00 0.00 O ATOM 1370 CB SER A 91 38.746 14.679 2.571 1.00 0.00 C ATOM 1371 OG SER A 91 38.440 15.471 3.705 1.00 0.00 O ATOM 0 H SER A 91 35.888 14.834 1.396 1.00 0.00 H new ATOM 0 HA SER A 91 37.667 13.517 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 91 39.603 14.042 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 91 39.032 15.324 1.740 1.00 0.00 H new ATOM 0 HG SER A 91 37.959 14.927 4.364 1.00 0.00 H new ATOM 1377 N SER A 92 36.476 11.739 2.812 1.00 0.00 N ATOM 1378 CA SER A 92 36.312 10.505 3.570 1.00 0.00 C ATOM 1379 C SER A 92 35.459 9.503 2.797 1.00 0.00 C ATOM 1380 O SER A 92 34.561 9.884 2.046 1.00 0.00 O ATOM 1381 CB SER A 92 35.671 10.797 4.928 1.00 0.00 C ATOM 1382 OG SER A 92 36.589 11.436 5.798 1.00 0.00 O ATOM 0 H SER A 92 35.745 11.911 2.122 1.00 0.00 H new ATOM 0 HA SER A 92 37.299 10.070 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.794 11.430 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.326 9.866 5.378 1.00 0.00 H new ATOM 0 HG SER A 92 37.388 11.698 5.295 1.00 0.00 H new ATOM 1388 N HIS A 93 35.746 8.219 2.988 1.00 0.00 N ATOM 1389 CA HIS A 93 35.006 7.161 2.310 1.00 0.00 C ATOM 1390 C HIS A 93 33.846 6.671 3.172 1.00 0.00 C ATOM 1391 O HIS A 93 34.051 6.149 4.267 1.00 0.00 O ATOM 1392 CB HIS A 93 35.935 5.994 1.974 1.00 0.00 C ATOM 1393 CG HIS A 93 35.224 4.683 1.839 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.628 3.538 2.493 1.00 0.00 N ATOM 1395 CD2 HIS A 93 34.129 4.338 1.122 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.813 2.545 2.182 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.895 3.005 1.352 1.00 0.00 N ATOM 0 H HIS A 93 36.486 7.886 3.607 1.00 0.00 H new ATOM 0 HA HIS A 93 34.601 7.571 1.385 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.457 6.212 1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.693 5.908 2.752 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.548 4.990 0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.886 1.530 2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 93 33.135 2.458 0.947 1.00 0.00 H new ATOM 1406 N TYR A 94 32.628 6.845 2.671 1.00 0.00 N ATOM 1407 CA TYR A 94 31.436 6.424 3.396 1.00 0.00 C ATOM 1408 C TYR A 94 30.795 5.208 2.733 1.00 0.00 C ATOM 1409 O TYR A 94 30.905 5.017 1.522 1.00 0.00 O ATOM 1410 CB TYR A 94 30.426 7.571 3.468 1.00 0.00 C ATOM 1411 CG TYR A 94 30.688 8.538 4.600 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.742 9.441 4.539 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.881 8.550 5.732 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.985 10.327 5.571 1.00 0.00 C ATOM 1415 CE2 TYR A 94 30.116 9.432 6.768 1.00 0.00 C ATOM 1416 CZ TYR A 94 31.170 10.318 6.683 1.00 0.00 C ATOM 1417 OH TYR A 94 31.408 11.199 7.713 1.00 0.00 O ATOM 0 H TYR A 94 32.441 7.275 1.765 1.00 0.00 H new ATOM 0 HA TYR A 94 31.736 6.148 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.441 8.117 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.425 7.156 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 94 32.383 9.451 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 94 29.056 7.857 5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.809 11.023 5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.478 9.428 7.640 1.00 0.00 H new ATOM 0 HH TYR A 94 30.743 11.063 8.420 1.00 0.00 H new ATOM 1427 N VAL A 95 30.125 4.388 3.537 1.00 0.00 N ATOM 1428 CA VAL A 95 29.465 3.192 3.030 1.00 0.00 C ATOM 1429 C VAL A 95 27.948 3.337 3.081 1.00 0.00 C ATOM 1430 O VAL A 95 27.347 3.296 4.154 1.00 0.00 O ATOM 1431 CB VAL A 95 29.877 1.942 3.830 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.193 0.702 3.274 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.389 1.776 3.818 1.00 0.00 C ATOM 0 H VAL A 95 30.025 4.531 4.542 1.00 0.00 H new ATOM 0 HA VAL A 95 29.781 3.072 1.994 1.00 0.00 H new ATOM 0 HB VAL A 95 29.556 2.072 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.496 -0.171 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 95 28.112 0.823 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.480 0.565 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.662 0.888 4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.735 1.668 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.855 2.653 4.267 1.00 0.00 H new ATOM 1443 N ILE A 96 27.336 3.507 1.914 1.00 0.00 N ATOM 1444 CA ILE A 96 25.889 3.657 1.826 1.00 0.00 C ATOM 1445 C ILE A 96 25.217 2.326 1.508 1.00 0.00 C ATOM 1446 O ILE A 96 25.684 1.569 0.657 1.00 0.00 O ATOM 1447 CB ILE A 96 25.494 4.689 0.752 1.00 0.00 C ATOM 1448 CG1 ILE A 96 26.052 6.068 1.109 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.982 4.745 0.603 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.543 6.193 0.885 1.00 0.00 C ATOM 0 H ILE A 96 27.820 3.544 1.017 1.00 0.00 H new ATOM 0 HA ILE A 96 25.548 4.010 2.799 1.00 0.00 H new ATOM 0 HB ILE A 96 25.922 4.381 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.539 6.824 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.831 6.281 2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.718 5.478 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.609 3.764 0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.533 5.032 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.869 7.196 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.066 5.461 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.769 6.012 -0.166 1.00 0.00 H new ATOM 1462 N THR A 97 24.114 2.047 2.196 1.00 0.00 N ATOM 1463 CA THR A 97 23.376 0.808 1.987 1.00 0.00 C ATOM 1464 C THR A 97 21.876 1.067 1.913 1.00 0.00 C ATOM 1465 O THR A 97 21.346 1.918 2.629 1.00 0.00 O ATOM 1466 CB THR A 97 23.655 -0.209 3.111 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.308 0.357 4.380 1.00 0.00 O ATOM 1468 CG2 THR A 97 25.119 -0.620 3.118 1.00 0.00 C ATOM 0 H THR A 97 23.712 2.663 2.903 1.00 0.00 H new ATOM 0 HA THR A 97 23.718 0.393 1.039 1.00 0.00 H new ATOM 0 HB THR A 97 23.046 -1.095 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.622 1.284 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 97 25.292 -1.338 3.920 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.373 -1.076 2.161 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.743 0.259 3.278 1.00 0.00 H new ATOM 1476 N LEU A 98 21.195 0.329 1.044 1.00 0.00 N ATOM 1477 CA LEU A 98 19.754 0.479 0.876 1.00 0.00 C ATOM 1478 C LEU A 98 19.066 -0.882 0.833 1.00 0.00 C ATOM 1479 O LEU A 98 19.612 -1.849 0.300 1.00 0.00 O ATOM 1480 CB LEU A 98 19.448 1.259 -0.404 1.00 0.00 C ATOM 1481 CG LEU A 98 18.004 1.189 -0.903 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.178 2.320 -0.308 1.00 0.00 C ATOM 1483 CD2 LEU A 98 17.962 1.238 -2.423 1.00 0.00 C ATOM 0 H LEU A 98 21.618 -0.380 0.444 1.00 0.00 H new ATOM 0 HA LEU A 98 19.369 1.033 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.704 2.305 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.103 0.892 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 98 17.573 0.242 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.154 2.254 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.181 2.240 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.607 3.278 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.927 1.187 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.411 2.169 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.518 0.393 -2.830 1.00 0.00 H new ATOM 1495 N LYS A 99 17.864 -0.950 1.394 1.00 0.00 N ATOM 1496 CA LYS A 99 17.099 -2.191 1.417 1.00 0.00 C ATOM 1497 C LYS A 99 15.602 -1.909 1.336 1.00 0.00 C ATOM 1498 O LYS A 99 15.075 -1.082 2.080 1.00 0.00 O ATOM 1499 CB LYS A 99 17.411 -2.983 2.689 1.00 0.00 C ATOM 1500 CG LYS A 99 17.066 -2.241 3.968 1.00 0.00 C ATOM 1501 CD LYS A 99 17.148 -3.152 5.181 1.00 0.00 C ATOM 1502 CE LYS A 99 18.588 -3.356 5.628 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.667 -4.024 6.957 1.00 0.00 N ATOM 0 H LYS A 99 17.398 -0.159 1.839 1.00 0.00 H new ATOM 0 HA LYS A 99 17.387 -2.782 0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.861 -3.924 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.472 -3.234 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.747 -1.400 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.061 -1.827 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.569 -2.723 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.699 -4.117 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.116 -3.957 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.094 -2.392 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.664 -4.145 7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.185 -3.439 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.207 -4.955 6.905 1.00 0.00 H new ATOM 1517 N ALA A 100 14.922 -2.602 0.428 1.00 0.00 N ATOM 1518 CA ALA A 100 13.486 -2.428 0.252 1.00 0.00 C ATOM 1519 C ALA A 100 12.708 -3.136 1.357 1.00 0.00 C ATOM 1520 O ALA A 100 12.884 -4.333 1.584 1.00 0.00 O ATOM 1521 CB ALA A 100 13.055 -2.943 -1.113 1.00 0.00 C ATOM 0 H ALA A 100 15.343 -3.289 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 100 13.264 -1.363 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.980 -2.807 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.578 -2.389 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.297 -4.003 -1.195 1.00 0.00 H new ATOM 1527 N PHE A 101 11.848 -2.388 2.041 1.00 0.00 N ATOM 1528 CA PHE A 101 11.045 -2.945 3.123 1.00 0.00 C ATOM 1529 C PHE A 101 9.565 -2.633 2.917 1.00 0.00 C ATOM 1530 O PHE A 101 9.208 -1.564 2.425 1.00 0.00 O ATOM 1531 CB PHE A 101 11.511 -2.390 4.470 1.00 0.00 C ATOM 1532 CG PHE A 101 10.969 -1.023 4.776 1.00 0.00 C ATOM 1533 CD1 PHE A 101 9.659 -0.861 5.198 1.00 0.00 C ATOM 1534 CD2 PHE A 101 11.769 0.100 4.642 1.00 0.00 C ATOM 1535 CE1 PHE A 101 9.157 0.395 5.481 1.00 0.00 C ATOM 1536 CE2 PHE A 101 11.273 1.359 4.923 1.00 0.00 C ATOM 1537 CZ PHE A 101 9.965 1.507 5.342 1.00 0.00 C ATOM 0 H PHE A 101 11.690 -1.396 1.865 1.00 0.00 H new ATOM 0 HA PHE A 101 11.175 -4.027 3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.209 -3.077 5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.600 -2.351 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.023 -1.727 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.792 -0.010 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.135 0.507 5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.907 2.226 4.815 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.575 2.490 5.560 1.00 0.00 H new ATOM 1547 N ASN A 102 8.709 -3.577 3.297 1.00 0.00 N ATOM 1548 CA ASN A 102 7.268 -3.404 3.154 1.00 0.00 C ATOM 1549 C ASN A 102 6.537 -3.877 4.406 1.00 0.00 C ATOM 1550 O ASN A 102 7.161 -4.246 5.400 1.00 0.00 O ATOM 1551 CB ASN A 102 6.761 -4.174 1.933 1.00 0.00 C ATOM 1552 CG ASN A 102 6.910 -5.675 2.092 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.702 -6.148 2.906 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.145 -6.431 1.312 1.00 0.00 N ATOM 0 H ASN A 102 8.988 -4.469 3.706 1.00 0.00 H new ATOM 0 HA ASN A 102 7.066 -2.342 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.712 -3.932 1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.309 -3.849 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.201 -7.448 1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.502 -5.995 0.651 1.00 0.00 H new ATOM 1561 N ASN A 103 5.209 -3.862 4.350 1.00 0.00 N ATOM 1562 CA ASN A 103 4.391 -4.289 5.480 1.00 0.00 C ATOM 1563 C ASN A 103 4.876 -5.629 6.027 1.00 0.00 C ATOM 1564 O ASN A 103 4.958 -5.823 7.239 1.00 0.00 O ATOM 1565 CB ASN A 103 2.923 -4.397 5.062 1.00 0.00 C ATOM 1566 CG ASN A 103 1.989 -4.492 6.253 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.285 -5.487 6.426 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.978 -3.453 7.080 1.00 0.00 N ATOM 0 H ASN A 103 4.676 -3.559 3.535 1.00 0.00 H new ATOM 0 HA ASN A 103 4.483 -3.540 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.654 -3.528 4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.792 -5.275 4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.369 -3.459 7.898 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.579 -2.649 6.897 1.00 0.00 H new ATOM 1575 N VAL A 104 5.196 -6.550 5.123 1.00 0.00 N ATOM 1576 CA VAL A 104 5.674 -7.871 5.514 1.00 0.00 C ATOM 1577 C VAL A 104 7.059 -7.789 6.146 1.00 0.00 C ATOM 1578 O VAL A 104 7.295 -8.338 7.221 1.00 0.00 O ATOM 1579 CB VAL A 104 5.727 -8.828 4.308 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.122 -10.227 4.754 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.389 -8.847 3.584 1.00 0.00 C ATOM 0 H VAL A 104 5.133 -6.406 4.115 1.00 0.00 H new ATOM 0 HA VAL A 104 4.967 -8.260 6.246 1.00 0.00 H new ATOM 0 HB VAL A 104 6.485 -8.467 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.154 -10.889 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.105 -10.195 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.390 -10.601 5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.444 -9.528 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.610 -9.183 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.153 -7.844 3.229 1.00 0.00 H new ATOM 1591 N GLY A 105 7.972 -7.099 5.470 1.00 0.00 N ATOM 1592 CA GLY A 105 9.323 -6.957 5.980 1.00 0.00 C ATOM 1593 C GLY A 105 10.295 -6.472 4.923 1.00 0.00 C ATOM 1594 O GLY A 105 9.884 -5.987 3.870 1.00 0.00 O ATOM 0 H GLY A 105 7.800 -6.636 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.321 -6.257 6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.664 -7.916 6.369 1.00 0.00 H new ATOM 1598 N GLU A 106 11.587 -6.602 5.205 1.00 0.00 N ATOM 1599 CA GLU A 106 12.620 -6.171 4.270 1.00 0.00 C ATOM 1600 C GLU A 106 13.475 -7.352 3.821 1.00 0.00 C ATOM 1601 O GLU A 106 13.427 -8.429 4.414 1.00 0.00 O ATOM 1602 CB GLU A 106 13.505 -5.101 4.912 1.00 0.00 C ATOM 1603 CG GLU A 106 13.998 -5.471 6.300 1.00 0.00 C ATOM 1604 CD GLU A 106 12.889 -5.464 7.334 1.00 0.00 C ATOM 1605 OE1 GLU A 106 12.032 -4.557 7.278 1.00 0.00 O ATOM 1606 OE2 GLU A 106 12.877 -6.365 8.198 1.00 0.00 O ATOM 0 H GLU A 106 11.944 -7.002 6.073 1.00 0.00 H new ATOM 0 HA GLU A 106 12.128 -5.748 3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.365 -4.918 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.946 -4.167 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.453 -6.461 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 106 14.777 -4.771 6.603 1.00 0.00 H new ATOM 1613 N GLY A 107 14.258 -7.142 2.767 1.00 0.00 N ATOM 1614 CA GLY A 107 15.113 -8.197 2.255 1.00 0.00 C ATOM 1615 C GLY A 107 16.577 -7.961 2.569 1.00 0.00 C ATOM 1616 O GLY A 107 16.933 -7.661 3.709 1.00 0.00 O ATOM 0 H GLY A 107 14.315 -6.260 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.802 -9.151 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.984 -8.273 1.175 1.00 0.00 H new ATOM 1620 N ILE A 108 17.427 -8.099 1.557 1.00 0.00 N ATOM 1621 CA ILE A 108 18.860 -7.899 1.732 1.00 0.00 C ATOM 1622 C ILE A 108 19.297 -6.544 1.187 1.00 0.00 C ATOM 1623 O ILE A 108 18.998 -6.179 0.049 1.00 0.00 O ATOM 1624 CB ILE A 108 19.672 -9.006 1.034 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.907 -9.542 -0.178 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.983 -10.130 2.010 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.850 -10.565 0.178 1.00 0.00 C ATOM 0 H ILE A 108 17.148 -8.348 0.608 1.00 0.00 H new ATOM 0 HA ILE A 108 19.055 -7.937 2.804 1.00 0.00 H new ATOM 0 HB ILE A 108 20.614 -8.582 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 108 18.434 -8.708 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 108 19.615 -9.990 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 108 20.557 -10.905 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.563 -9.737 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 108 19.052 -10.555 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 108 17.348 -10.901 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 108 18.319 -11.417 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 108 17.120 -10.115 0.851 1.00 0.00 H new ATOM 1639 N PRO A 109 20.022 -5.778 2.015 1.00 0.00 N ATOM 1640 CA PRO A 109 20.518 -4.452 1.638 1.00 0.00 C ATOM 1641 C PRO A 109 21.617 -4.522 0.583 1.00 0.00 C ATOM 1642 O PRO A 109 22.141 -5.598 0.288 1.00 0.00 O ATOM 1643 CB PRO A 109 21.073 -3.893 2.950 1.00 0.00 C ATOM 1644 CG PRO A 109 21.422 -5.096 3.757 1.00 0.00 C ATOM 1645 CD PRO A 109 20.415 -6.150 3.385 1.00 0.00 C ATOM 0 HA PRO A 109 19.736 -3.837 1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.948 -3.266 2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.335 -3.274 3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.436 -5.431 3.540 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.381 -4.876 4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.848 -7.150 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.561 -6.147 4.063 1.00 0.00 H new ATOM 1653 N LEU A 110 21.963 -3.371 0.018 1.00 0.00 N ATOM 1654 CA LEU A 110 23.001 -3.302 -1.005 1.00 0.00 C ATOM 1655 C LEU A 110 24.256 -2.626 -0.462 1.00 0.00 C ATOM 1656 O LEU A 110 24.192 -1.848 0.489 1.00 0.00 O ATOM 1657 CB LEU A 110 22.488 -2.543 -2.230 1.00 0.00 C ATOM 1658 CG LEU A 110 21.611 -3.340 -3.195 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.859 -2.405 -4.130 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.454 -4.328 -3.990 1.00 0.00 C ATOM 0 H LEU A 110 21.540 -2.472 0.251 1.00 0.00 H new ATOM 0 HA LEU A 110 23.257 -4.320 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 110 21.921 -1.678 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.347 -2.162 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 110 20.881 -3.902 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.240 -2.991 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.225 -1.738 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.572 -1.815 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.813 -4.887 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.207 -3.786 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.946 -5.019 -3.306 1.00 0.00 H new ATOM 1672 N TYR A 111 25.396 -2.928 -1.074 1.00 0.00 N ATOM 1673 CA TYR A 111 26.666 -2.350 -0.653 1.00 0.00 C ATOM 1674 C TYR A 111 27.231 -1.429 -1.730 1.00 0.00 C ATOM 1675 O TYR A 111 27.357 -1.819 -2.891 1.00 0.00 O ATOM 1676 CB TYR A 111 27.673 -3.456 -0.333 1.00 0.00 C ATOM 1677 CG TYR A 111 27.544 -4.006 1.070 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.377 -4.633 1.487 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.590 -3.898 1.978 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.254 -5.136 2.768 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.477 -4.399 3.261 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.307 -5.016 3.651 1.00 0.00 C ATOM 1683 OH TYR A 111 27.189 -5.517 4.927 1.00 0.00 O ATOM 0 H TYR A 111 25.466 -3.570 -1.863 1.00 0.00 H new ATOM 0 HA TYR A 111 26.486 -1.760 0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.545 -4.270 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.682 -3.068 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.551 -4.729 0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.507 -3.414 1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.339 -5.620 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.300 -4.308 3.954 1.00 0.00 H new ATOM 0 HH TYR A 111 28.019 -5.352 5.421 1.00 0.00 H new ATOM 1693 N GLU A 112 27.569 -0.205 -1.337 1.00 0.00 N ATOM 1694 CA GLU A 112 28.120 0.771 -2.269 1.00 0.00 C ATOM 1695 C GLU A 112 29.286 1.528 -1.638 1.00 0.00 C ATOM 1696 O GLU A 112 29.643 1.289 -0.485 1.00 0.00 O ATOM 1697 CB GLU A 112 27.036 1.758 -2.708 1.00 0.00 C ATOM 1698 CG GLU A 112 26.225 1.279 -3.901 1.00 0.00 C ATOM 1699 CD GLU A 112 27.087 0.649 -4.977 1.00 0.00 C ATOM 1700 OE1 GLU A 112 27.862 1.385 -5.623 1.00 0.00 O ATOM 1701 OE2 GLU A 112 26.987 -0.580 -5.174 1.00 0.00 O ATOM 0 H GLU A 112 27.471 0.134 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 112 28.488 0.233 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.362 1.941 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.503 2.711 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.484 0.554 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.678 2.121 -4.325 1.00 0.00 H new ATOM 1708 N SER A 113 29.874 2.441 -2.404 1.00 0.00 N ATOM 1709 CA SER A 113 31.002 3.230 -1.923 1.00 0.00 C ATOM 1710 C SER A 113 30.920 4.665 -2.435 1.00 0.00 C ATOM 1711 O SER A 113 30.445 4.913 -3.543 1.00 0.00 O ATOM 1712 CB SER A 113 32.322 2.594 -2.365 1.00 0.00 C ATOM 1713 OG SER A 113 32.323 2.338 -3.759 1.00 0.00 O ATOM 0 H SER A 113 29.588 2.653 -3.360 1.00 0.00 H new ATOM 0 HA SER A 113 30.962 3.248 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.151 3.256 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.481 1.663 -1.821 1.00 0.00 H new ATOM 0 HG SER A 113 33.178 1.933 -4.017 1.00 0.00 H new ATOM 1719 N ALA A 114 31.385 5.605 -1.620 1.00 0.00 N ATOM 1720 CA ALA A 114 31.367 7.015 -1.990 1.00 0.00 C ATOM 1721 C ALA A 114 32.418 7.800 -1.213 1.00 0.00 C ATOM 1722 O ALA A 114 32.388 7.849 0.017 1.00 0.00 O ATOM 1723 CB ALA A 114 29.984 7.604 -1.754 1.00 0.00 C ATOM 0 H ALA A 114 31.779 5.416 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 114 31.606 7.090 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.984 8.657 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.252 7.068 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.723 7.509 -0.700 1.00 0.00 H new ATOM 1729 N VAL A 115 33.347 8.414 -1.938 1.00 0.00 N ATOM 1730 CA VAL A 115 34.408 9.198 -1.317 1.00 0.00 C ATOM 1731 C VAL A 115 34.088 10.688 -1.361 1.00 0.00 C ATOM 1732 O VAL A 115 34.307 11.352 -2.375 1.00 0.00 O ATOM 1733 CB VAL A 115 35.764 8.954 -2.007 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.844 9.825 -1.383 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.143 7.483 -1.931 1.00 0.00 C ATOM 0 H VAL A 115 33.387 8.384 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 115 34.474 8.874 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 115 35.672 9.228 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.795 9.640 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.574 10.875 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.938 9.585 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.103 7.329 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.218 7.180 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.380 6.884 -2.429 1.00 0.00 H new ATOM 1745 N THR A 116 33.569 11.209 -0.254 1.00 0.00 N ATOM 1746 CA THR A 116 33.217 12.621 -0.166 1.00 0.00 C ATOM 1747 C THR A 116 34.315 13.498 -0.756 1.00 0.00 C ATOM 1748 O THR A 116 35.466 13.444 -0.322 1.00 0.00 O ATOM 1749 CB THR A 116 32.964 13.046 1.293 1.00 0.00 C ATOM 1750 OG1 THR A 116 34.006 12.545 2.138 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.618 12.533 1.780 1.00 0.00 C ATOM 0 H THR A 116 33.383 10.674 0.594 1.00 0.00 H new ATOM 0 HA THR A 116 32.300 12.756 -0.740 1.00 0.00 H new ATOM 0 HB THR A 116 32.956 14.135 1.335 1.00 0.00 H new ATOM 0 HG1 THR A 116 34.003 11.565 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.461 12.845 2.812 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.825 12.941 1.153 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.601 11.445 1.724 1.00 0.00 H new ATOM 1759 N ARG A 117 33.952 14.306 -1.746 1.00 0.00 N ATOM 1760 CA ARG A 117 34.907 15.196 -2.396 1.00 0.00 C ATOM 1761 C ARG A 117 35.906 15.752 -1.386 1.00 0.00 C ATOM 1762 O ARG A 117 35.574 16.023 -0.232 1.00 0.00 O ATOM 1763 CB ARG A 117 34.175 16.345 -3.091 1.00 0.00 C ATOM 1764 CG ARG A 117 33.544 15.952 -4.417 1.00 0.00 C ATOM 1765 CD ARG A 117 34.489 16.209 -5.581 1.00 0.00 C ATOM 1766 NE ARG A 117 34.795 17.629 -5.734 1.00 0.00 N ATOM 1767 CZ ARG A 117 35.276 18.160 -6.853 1.00 0.00 C ATOM 1768 NH1 ARG A 117 35.503 17.393 -7.910 1.00 0.00 N ATOM 1769 NH2 ARG A 117 35.530 19.461 -6.915 1.00 0.00 N ATOM 0 H ARG A 117 33.003 14.363 -2.116 1.00 0.00 H new ATOM 0 HA ARG A 117 35.453 14.619 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.398 16.724 -2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 117 34.876 17.162 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 117 33.272 14.897 -4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 117 32.622 16.515 -4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 117 35.414 15.653 -5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 117 34.041 15.833 -6.501 1.00 0.00 H new ATOM 0 HE ARG A 117 34.631 18.246 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 117 35.308 16.393 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.872 17.803 -8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 117 35.356 20.054 -6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 117 35.899 19.868 -7.774 1.00 0.00 H new ATOM 1783 N PRO A 118 37.161 15.925 -1.828 1.00 0.00 N ATOM 1784 CA PRO A 118 38.234 16.450 -0.979 1.00 0.00 C ATOM 1785 C PRO A 118 38.042 17.926 -0.648 1.00 0.00 C ATOM 1786 O PRO A 118 38.337 18.799 -1.466 1.00 0.00 O ATOM 1787 CB PRO A 118 39.490 16.251 -1.831 1.00 0.00 C ATOM 1788 CG PRO A 118 38.997 16.243 -3.237 1.00 0.00 C ATOM 1789 CD PRO A 118 37.628 15.622 -3.192 1.00 0.00 C ATOM 0 HA PRO A 118 38.273 15.946 -0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.210 17.053 -1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 118 39.993 15.316 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 118 38.954 17.254 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 118 39.664 15.671 -3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 118 36.968 16.049 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 118 37.668 14.548 -3.374 1.00 0.00 H new