USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 717 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: B 51 TYR OH : rot -123:sc= 0.554 USER MOD Set 1.2: B 55 GLN : amide:sc= -0.552 X(o=0.0013,f=-0.12) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= -0.0029 USER MOD Set 2.2: A 47 ASN : amide:sc= 0 X(o=-0.0029,f=0.0086) USER MOD Single : A 21 GLN :FLIP amide:sc= -2.34! C(o=-3.3!,f=-2.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.28 K(o=-0.28,f=-4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0914 K(o=-0.091,f=-2.3!) USER MOD Single : B 21 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.38) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : B 35 TYR OH : rot 180:sc= -0.0159 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 61 LYS NZ :NH3+ 134:sc= 0.14 (180deg=-0.162) USER MOD Single : B 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 GLN : amide:sc= -0.479 K(o=-0.48,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 28.103 5.188 4.720 1.00 0.00 N ATOM 298 CA ASP A 19 27.111 6.144 4.260 1.00 0.00 C ATOM 299 C ASP A 19 27.369 6.512 2.805 1.00 0.00 C ATOM 300 O ASP A 19 28.122 7.441 2.504 1.00 0.00 O ATOM 301 CB ASP A 19 27.109 7.393 5.144 1.00 0.00 C ATOM 302 CG ASP A 19 26.100 8.428 4.686 1.00 0.00 C ATOM 303 OD1 ASP A 19 24.895 8.105 4.615 1.00 0.00 O ATOM 304 OD2 ASP A 19 26.505 9.574 4.410 1.00 0.00 O ATOM 0 HA ASP A 19 26.126 5.682 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 19 26.889 7.106 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 19 28.105 7.836 5.143 1.00 0.00 H new ATOM 309 N VAL A 20 26.774 5.739 1.910 1.00 0.00 N ATOM 310 CA VAL A 20 26.914 5.957 0.479 1.00 0.00 C ATOM 311 C VAL A 20 25.540 5.926 -0.176 1.00 0.00 C ATOM 312 O VAL A 20 24.707 5.081 0.154 1.00 0.00 O ATOM 313 CB VAL A 20 27.816 4.884 -0.180 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.010 5.172 -1.661 1.00 0.00 C ATOM 315 CG2 VAL A 20 29.161 4.794 0.523 1.00 0.00 C ATOM 0 H VAL A 20 26.182 4.945 2.154 1.00 0.00 H new ATOM 0 HA VAL A 20 27.384 6.930 0.334 1.00 0.00 H new ATOM 0 HB VAL A 20 27.313 3.922 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 20 28.647 4.404 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.042 5.171 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 20 28.480 6.148 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.774 4.033 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.667 5.758 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 20 29.008 4.526 1.568 1.00 0.00 H new ATOM 325 N GLN A 21 25.303 6.852 -1.088 1.00 0.00 N ATOM 326 CA GLN A 21 24.036 6.914 -1.793 1.00 0.00 C ATOM 327 C GLN A 21 24.245 6.672 -3.282 1.00 0.00 C ATOM 328 O GLN A 21 24.932 7.423 -3.963 1.00 0.00 O ATOM 329 CB GLN A 21 23.322 8.250 -1.515 1.00 0.00 C ATOM 330 CG GLN A 21 24.254 9.438 -1.295 1.00 0.00 C ATOM 331 CD GLN A 21 24.691 10.117 -2.576 1.00 0.00 C ATOM 332 OE1 GLN A 21 23.817 10.133 -3.568 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 25.795 10.646 -2.661 1.00 0.00 N flip ATOM 0 H GLN A 21 25.973 7.572 -1.358 1.00 0.00 H new ATOM 0 HA GLN A 21 23.386 6.122 -1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.661 8.474 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.691 8.133 -0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 21 23.753 10.169 -0.660 1.00 0.00 H new ATOM 0 HG3 GLN A 21 25.138 9.099 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 21 26.440 10.610 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.068 11.121 -3.521 1.00 0.00 H new ATOM 342 N ILE A 22 23.680 5.594 -3.779 1.00 0.00 N ATOM 343 CA ILE A 22 23.856 5.232 -5.169 1.00 0.00 C ATOM 344 C ILE A 22 22.731 5.790 -6.030 1.00 0.00 C ATOM 345 O ILE A 22 21.574 5.842 -5.606 1.00 0.00 O ATOM 346 CB ILE A 22 23.942 3.704 -5.357 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.095 3.126 -4.536 1.00 0.00 C ATOM 348 CG2 ILE A 22 24.130 3.358 -6.823 1.00 0.00 C ATOM 349 CD1 ILE A 22 25.343 1.658 -4.808 1.00 0.00 C ATOM 0 H ILE A 22 23.095 4.953 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 22 24.801 5.671 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 22 23.007 3.266 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.004 3.688 -4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.881 3.261 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.189 2.276 -6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 22 23.285 3.738 -7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.051 3.812 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.173 1.309 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.447 1.087 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 22 25.587 1.519 -5.861 1.00 0.00 H new ATOM 361 N ASP A 23 23.097 6.218 -7.230 1.00 0.00 N ATOM 362 CA ASP A 23 22.164 6.720 -8.223 1.00 0.00 C ATOM 363 C ASP A 23 21.163 5.645 -8.673 1.00 0.00 C ATOM 364 O ASP A 23 21.105 4.544 -8.121 1.00 0.00 O ATOM 365 CB ASP A 23 22.959 7.191 -9.437 1.00 0.00 C ATOM 366 CG ASP A 23 23.908 6.109 -9.920 1.00 0.00 C ATOM 367 OD1 ASP A 23 25.060 6.073 -9.440 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.491 5.274 -10.745 1.00 0.00 O ATOM 0 H ASP A 23 24.067 6.225 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 23 21.597 7.536 -7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.275 7.464 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.524 8.087 -9.181 1.00 0.00 H new ATOM 373 N PHE A 24 20.403 5.973 -9.710 1.00 0.00 N ATOM 374 CA PHE A 24 19.354 5.104 -10.227 1.00 0.00 C ATOM 375 C PHE A 24 19.938 3.917 -10.992 1.00 0.00 C ATOM 376 O PHE A 24 19.366 2.826 -10.990 1.00 0.00 O ATOM 377 CB PHE A 24 18.423 5.917 -11.135 1.00 0.00 C ATOM 378 CG PHE A 24 17.291 5.124 -11.724 1.00 0.00 C ATOM 379 CD1 PHE A 24 16.187 4.797 -10.957 1.00 0.00 C ATOM 380 CD2 PHE A 24 17.333 4.706 -13.046 1.00 0.00 C ATOM 381 CE1 PHE A 24 15.145 4.069 -11.495 1.00 0.00 C ATOM 382 CE2 PHE A 24 16.292 3.979 -13.590 1.00 0.00 C ATOM 383 CZ PHE A 24 15.197 3.658 -12.812 1.00 0.00 C ATOM 0 H PHE A 24 20.497 6.852 -10.218 1.00 0.00 H new ATOM 0 HA PHE A 24 18.789 4.705 -9.385 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.011 6.748 -10.563 1.00 0.00 H new ATOM 0 HB3 PHE A 24 19.010 6.348 -11.946 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.140 5.115 -9.926 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.189 4.952 -13.657 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.289 3.821 -10.885 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.334 3.662 -14.622 1.00 0.00 H new ATOM 0 HZ PHE A 24 14.383 3.087 -13.233 1.00 0.00 H new ATOM 393 N TYR A 25 21.082 4.126 -11.629 1.00 0.00 N ATOM 394 CA TYR A 25 21.701 3.086 -12.435 1.00 0.00 C ATOM 395 C TYR A 25 22.280 2.007 -11.534 1.00 0.00 C ATOM 396 O TYR A 25 22.225 0.819 -11.850 1.00 0.00 O ATOM 397 CB TYR A 25 22.814 3.662 -13.317 1.00 0.00 C ATOM 398 CG TYR A 25 22.357 4.748 -14.264 1.00 0.00 C ATOM 399 CD1 TYR A 25 22.363 6.080 -13.872 1.00 0.00 C ATOM 400 CD2 TYR A 25 21.932 4.443 -15.552 1.00 0.00 C ATOM 401 CE1 TYR A 25 21.955 7.075 -14.733 1.00 0.00 C ATOM 402 CE2 TYR A 25 21.525 5.435 -16.421 1.00 0.00 C ATOM 403 CZ TYR A 25 21.539 6.750 -16.007 1.00 0.00 C ATOM 404 OH TYR A 25 21.137 7.748 -16.869 1.00 0.00 O ATOM 0 H TYR A 25 21.599 5.005 -11.603 1.00 0.00 H new ATOM 0 HA TYR A 25 20.933 2.656 -13.079 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.600 4.062 -12.676 1.00 0.00 H new ATOM 0 HB3 TYR A 25 23.257 2.853 -13.897 1.00 0.00 H new ATOM 0 HD1 TYR A 25 22.693 6.340 -12.877 1.00 0.00 H new ATOM 0 HD2 TYR A 25 21.920 3.413 -15.878 1.00 0.00 H new ATOM 0 HE1 TYR A 25 21.961 8.106 -14.411 1.00 0.00 H new ATOM 0 HE2 TYR A 25 21.198 5.183 -17.419 1.00 0.00 H new ATOM 0 HH TYR A 25 20.875 7.353 -17.727 1.00 0.00 H new ATOM 414 N GLY A 26 22.818 2.424 -10.402 1.00 0.00 N ATOM 415 CA GLY A 26 23.447 1.490 -9.510 1.00 0.00 C ATOM 416 C GLY A 26 24.949 1.593 -9.591 1.00 0.00 C ATOM 417 O GLY A 26 25.663 0.638 -9.284 1.00 0.00 O ATOM 0 H GLY A 26 22.828 3.394 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.120 1.681 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.134 0.476 -9.760 1.00 0.00 H new ATOM 421 N ASP A 27 25.428 2.759 -10.012 1.00 0.00 N ATOM 422 CA ASP A 27 26.857 2.994 -10.137 1.00 0.00 C ATOM 423 C ASP A 27 27.438 3.322 -8.765 1.00 0.00 C ATOM 424 O ASP A 27 27.951 2.427 -8.088 1.00 0.00 O ATOM 425 CB ASP A 27 27.130 4.127 -11.133 1.00 0.00 C ATOM 426 CG ASP A 27 28.542 4.092 -11.683 1.00 0.00 C ATOM 427 OD1 ASP A 27 28.782 3.348 -12.659 1.00 0.00 O ATOM 428 OD2 ASP A 27 29.415 4.812 -11.159 1.00 0.00 O ATOM 0 H ASP A 27 24.845 3.555 -10.272 1.00 0.00 H new ATOM 0 HA ASP A 27 27.339 2.094 -10.518 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.421 4.059 -11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 27 26.958 5.086 -10.643 1.00 0.00 H new ATOM 433 N GLU A 28 27.304 4.589 -8.348 1.00 0.00 N ATOM 434 CA GLU A 28 27.746 5.048 -7.023 1.00 0.00 C ATOM 435 C GLU A 28 27.829 6.571 -6.991 1.00 0.00 C ATOM 436 O GLU A 28 28.530 7.177 -7.806 1.00 0.00 O ATOM 437 CB GLU A 28 29.123 4.486 -6.652 1.00 0.00 C ATOM 438 CG GLU A 28 29.527 4.766 -5.217 1.00 0.00 C ATOM 439 CD GLU A 28 30.917 4.257 -4.904 1.00 0.00 C ATOM 440 OE1 GLU A 28 31.898 4.916 -5.302 1.00 0.00 O ATOM 441 OE2 GLU A 28 31.035 3.192 -4.263 1.00 0.00 O ATOM 0 H GLU A 28 26.887 5.324 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 28 27.011 4.688 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.123 3.409 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.872 4.911 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.485 5.839 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.810 4.298 -4.542 1.00 0.00 H new ATOM 448 N VAL A 29 27.123 7.193 -6.057 1.00 0.00 N ATOM 449 CA VAL A 29 27.269 8.621 -5.842 1.00 0.00 C ATOM 450 C VAL A 29 27.890 8.849 -4.473 1.00 0.00 C ATOM 451 O VAL A 29 27.515 8.204 -3.492 1.00 0.00 O ATOM 452 CB VAL A 29 25.928 9.377 -5.933 1.00 0.00 C ATOM 453 CG1 VAL A 29 26.156 10.878 -6.017 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.115 8.901 -7.120 1.00 0.00 C ATOM 0 H VAL A 29 26.450 6.734 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 29 27.909 9.013 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 29 25.365 9.164 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 29 25.195 11.389 -6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 29 26.689 11.215 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.748 11.107 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 29 24.174 9.450 -7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.676 9.074 -8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 29 24.909 7.836 -7.016 1.00 0.00 H new ATOM 464 N THR A 30 28.862 9.731 -4.413 1.00 0.00 N ATOM 465 CA THR A 30 29.542 10.011 -3.169 1.00 0.00 C ATOM 466 C THR A 30 29.208 11.420 -2.692 1.00 0.00 C ATOM 467 O THR A 30 28.880 12.287 -3.501 1.00 0.00 O ATOM 468 CB THR A 30 31.063 9.837 -3.337 1.00 0.00 C ATOM 469 OG1 THR A 30 31.513 10.553 -4.496 1.00 0.00 O ATOM 470 CG2 THR A 30 31.427 8.362 -3.474 1.00 0.00 C ATOM 0 H THR A 30 29.200 10.267 -5.212 1.00 0.00 H new ATOM 0 HA THR A 30 29.200 9.302 -2.415 1.00 0.00 H new ATOM 0 HB THR A 30 31.553 10.237 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 30 32.481 10.439 -4.595 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.506 8.263 -3.592 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.108 7.824 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 30 30.927 7.943 -4.347 1.00 0.00 H new ATOM 478 N PRO A 31 29.282 11.674 -1.372 1.00 0.00 N ATOM 479 CA PRO A 31 28.948 12.986 -0.792 1.00 0.00 C ATOM 480 C PRO A 31 29.924 14.090 -1.208 1.00 0.00 C ATOM 481 O PRO A 31 29.807 15.237 -0.774 1.00 0.00 O ATOM 482 CB PRO A 31 29.029 12.742 0.718 1.00 0.00 C ATOM 483 CG PRO A 31 29.927 11.562 0.869 1.00 0.00 C ATOM 484 CD PRO A 31 29.682 10.701 -0.339 1.00 0.00 C ATOM 0 HA PRO A 31 27.973 13.336 -1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.430 13.612 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.043 12.545 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 31 30.971 11.870 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 31 29.706 11.018 1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.577 10.151 -0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 31 28.900 9.964 -0.156 1.00 0.00 H new ATOM 492 N VAL A 32 30.891 13.730 -2.042 1.00 0.00 N ATOM 493 CA VAL A 32 31.848 14.688 -2.572 1.00 0.00 C ATOM 494 C VAL A 32 31.438 15.086 -3.992 1.00 0.00 C ATOM 495 O VAL A 32 32.059 15.943 -4.626 1.00 0.00 O ATOM 496 CB VAL A 32 33.280 14.099 -2.589 1.00 0.00 C ATOM 497 CG1 VAL A 32 34.318 15.181 -2.855 1.00 0.00 C ATOM 498 CG2 VAL A 32 33.586 13.377 -1.283 1.00 0.00 C ATOM 0 H VAL A 32 31.032 12.774 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 32 31.849 15.565 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 32 33.330 13.375 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.313 14.737 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 32 34.121 15.644 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 32 34.263 15.938 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.597 12.972 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 32 33.505 14.078 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 32 32.874 12.564 -1.142 1.00 0.00 H new ATOM 508 N ASP A 33 30.382 14.454 -4.488 1.00 0.00 N ATOM 509 CA ASP A 33 29.883 14.732 -5.825 1.00 0.00 C ATOM 510 C ASP A 33 28.553 15.467 -5.732 1.00 0.00 C ATOM 511 O ASP A 33 28.054 15.715 -4.634 1.00 0.00 O ATOM 512 CB ASP A 33 29.717 13.435 -6.621 1.00 0.00 C ATOM 513 CG ASP A 33 29.939 13.637 -8.108 1.00 0.00 C ATOM 514 OD1 ASP A 33 29.060 14.208 -8.781 1.00 0.00 O ATOM 515 OD2 ASP A 33 31.016 13.238 -8.606 1.00 0.00 O ATOM 0 H ASP A 33 29.854 13.743 -3.981 1.00 0.00 H new ATOM 0 HA ASP A 33 30.605 15.360 -6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 33 30.421 12.691 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.716 13.037 -6.457 1.00 0.00 H new ATOM 520 N ASP A 34 27.978 15.801 -6.873 1.00 0.00 N ATOM 521 CA ASP A 34 26.726 16.538 -6.908 1.00 0.00 C ATOM 522 C ASP A 34 25.620 15.646 -7.444 1.00 0.00 C ATOM 523 O ASP A 34 25.767 15.026 -8.501 1.00 0.00 O ATOM 524 CB ASP A 34 26.846 17.791 -7.783 1.00 0.00 C ATOM 525 CG ASP A 34 27.911 18.758 -7.307 1.00 0.00 C ATOM 526 OD1 ASP A 34 27.613 19.608 -6.442 1.00 0.00 O ATOM 527 OD2 ASP A 34 29.052 18.684 -7.815 1.00 0.00 O ATOM 0 H ASP A 34 28.359 15.573 -7.791 1.00 0.00 H new ATOM 0 HA ASP A 34 26.487 16.851 -5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.070 17.490 -8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 34 25.884 18.303 -7.805 1.00 0.00 H new ATOM 532 N TYR A 35 24.514 15.574 -6.726 1.00 0.00 N ATOM 533 CA TYR A 35 23.397 14.752 -7.156 1.00 0.00 C ATOM 534 C TYR A 35 22.076 15.443 -6.859 1.00 0.00 C ATOM 535 O TYR A 35 22.028 16.441 -6.146 1.00 0.00 O ATOM 536 CB TYR A 35 23.445 13.371 -6.486 1.00 0.00 C ATOM 537 CG TYR A 35 23.246 13.385 -4.982 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.289 13.707 -4.122 1.00 0.00 C ATOM 539 CD2 TYR A 35 22.012 13.071 -4.426 1.00 0.00 C ATOM 540 CE1 TYR A 35 24.108 13.715 -2.753 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.823 13.077 -3.058 1.00 0.00 C ATOM 542 CZ TYR A 35 22.872 13.400 -2.227 1.00 0.00 C ATOM 543 OH TYR A 35 22.684 13.410 -0.862 1.00 0.00 O ATOM 0 H TYR A 35 24.365 16.071 -5.848 1.00 0.00 H new ATOM 0 HA TYR A 35 23.477 14.611 -8.234 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.678 12.739 -6.934 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.407 12.909 -6.707 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.257 13.955 -4.531 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.186 12.818 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.929 13.966 -2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.857 12.830 -2.642 1.00 0.00 H new ATOM 0 HH TYR A 35 21.757 13.166 -0.658 1.00 0.00 H new ATOM 553 N VAL A 36 21.009 14.923 -7.426 1.00 0.00 N ATOM 554 CA VAL A 36 19.683 15.459 -7.186 1.00 0.00 C ATOM 555 C VAL A 36 18.704 14.317 -6.971 1.00 0.00 C ATOM 556 O VAL A 36 18.777 13.290 -7.649 1.00 0.00 O ATOM 557 CB VAL A 36 19.201 16.352 -8.357 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.778 16.845 -8.134 1.00 0.00 C ATOM 559 CG2 VAL A 36 20.138 17.533 -8.554 1.00 0.00 C ATOM 0 H VAL A 36 21.033 14.125 -8.060 1.00 0.00 H new ATOM 0 HA VAL A 36 19.730 16.083 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 36 19.210 15.740 -9.259 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.473 17.468 -8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 36 17.106 15.991 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.735 17.429 -7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.781 18.147 -9.381 1.00 0.00 H new ATOM 0 HG22 VAL A 36 20.165 18.131 -7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 36 21.140 17.169 -8.779 1.00 0.00 H new ATOM 569 N ILE A 37 17.821 14.481 -6.004 1.00 0.00 N ATOM 570 CA ILE A 37 16.813 13.486 -5.721 1.00 0.00 C ATOM 571 C ILE A 37 15.528 13.814 -6.464 1.00 0.00 C ATOM 572 O ILE A 37 14.877 14.836 -6.195 1.00 0.00 O ATOM 573 CB ILE A 37 16.523 13.374 -4.211 1.00 0.00 C ATOM 574 CG1 ILE A 37 17.793 12.998 -3.448 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.432 12.347 -3.958 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.568 12.791 -1.966 1.00 0.00 C ATOM 0 H ILE A 37 17.785 15.302 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 37 17.200 12.526 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 37 16.179 14.344 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.207 12.085 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.537 13.782 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.238 12.279 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.521 12.650 -4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.754 11.375 -4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.511 12.527 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.183 13.710 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 37 16.848 11.987 -1.816 1.00 0.00 H new ATOM 588 N ASP A 38 15.183 12.952 -7.407 1.00 0.00 N ATOM 589 CA ASP A 38 13.965 13.106 -8.184 1.00 0.00 C ATOM 590 C ASP A 38 12.819 12.420 -7.456 1.00 0.00 C ATOM 591 O ASP A 38 12.597 11.218 -7.621 1.00 0.00 O ATOM 592 CB ASP A 38 14.144 12.499 -9.584 1.00 0.00 C ATOM 593 CG ASP A 38 12.967 12.748 -10.514 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.816 12.460 -10.129 1.00 0.00 O ATOM 595 OD2 ASP A 38 13.192 13.232 -11.647 1.00 0.00 O ATOM 0 H ASP A 38 15.736 12.131 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 38 13.741 14.167 -8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.046 12.911 -10.036 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.298 11.424 -9.487 1.00 0.00 H new ATOM 600 N GLY A 39 12.158 13.164 -6.578 1.00 0.00 N ATOM 601 CA GLY A 39 11.020 12.631 -5.847 1.00 0.00 C ATOM 602 C GLY A 39 11.411 11.651 -4.749 1.00 0.00 C ATOM 603 O GLY A 39 10.719 11.534 -3.745 1.00 0.00 O ATOM 0 H GLY A 39 12.390 14.132 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.463 13.457 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.349 12.132 -6.547 1.00 0.00 H new ATOM 607 N GLY A 40 12.536 10.980 -4.922 1.00 0.00 N ATOM 608 CA GLY A 40 12.945 9.937 -4.004 1.00 0.00 C ATOM 609 C GLY A 40 14.053 9.095 -4.596 1.00 0.00 C ATOM 610 O GLY A 40 14.811 8.445 -3.875 1.00 0.00 O ATOM 0 H GLY A 40 13.183 11.141 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.283 10.383 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.091 9.304 -3.764 1.00 0.00 H new ATOM 614 N GLU A 41 14.145 9.117 -5.921 1.00 0.00 N ATOM 615 CA GLU A 41 15.206 8.420 -6.631 1.00 0.00 C ATOM 616 C GLU A 41 16.473 9.271 -6.648 1.00 0.00 C ATOM 617 O GLU A 41 16.407 10.499 -6.706 1.00 0.00 O ATOM 618 CB GLU A 41 14.768 8.112 -8.065 1.00 0.00 C ATOM 619 CG GLU A 41 13.475 7.316 -8.154 1.00 0.00 C ATOM 620 CD GLU A 41 13.572 5.956 -7.495 1.00 0.00 C ATOM 621 OE1 GLU A 41 14.212 5.056 -8.074 1.00 0.00 O ATOM 622 OE2 GLU A 41 12.995 5.775 -6.404 1.00 0.00 O ATOM 0 H GLU A 41 13.492 9.614 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 41 15.414 7.483 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.644 9.050 -8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.561 7.557 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.672 7.884 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.205 7.188 -9.202 1.00 0.00 H new ATOM 629 N ILE A 42 17.621 8.616 -6.592 1.00 0.00 N ATOM 630 CA ILE A 42 18.900 9.308 -6.596 1.00 0.00 C ATOM 631 C ILE A 42 19.498 9.310 -7.992 1.00 0.00 C ATOM 632 O ILE A 42 19.538 8.280 -8.648 1.00 0.00 O ATOM 633 CB ILE A 42 19.896 8.636 -5.630 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.343 8.652 -4.209 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.249 9.335 -5.684 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.120 7.791 -3.242 1.00 0.00 C ATOM 0 H ILE A 42 17.693 7.600 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 42 18.720 10.332 -6.270 1.00 0.00 H new ATOM 0 HB ILE A 42 20.034 7.600 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.337 9.679 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.307 8.315 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.939 8.847 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.647 9.279 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 42 21.130 10.380 -5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.666 7.854 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.104 6.756 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.151 8.141 -3.191 1.00 0.00 H new ATOM 648 N ILE A 43 19.937 10.469 -8.460 1.00 0.00 N ATOM 649 CA ILE A 43 20.631 10.547 -9.735 1.00 0.00 C ATOM 650 C ILE A 43 21.795 11.521 -9.633 1.00 0.00 C ATOM 651 O ILE A 43 21.633 12.640 -9.139 1.00 0.00 O ATOM 652 CB ILE A 43 19.719 11.001 -10.907 1.00 0.00 C ATOM 653 CG1 ILE A 43 18.319 10.382 -10.829 1.00 0.00 C ATOM 654 CG2 ILE A 43 20.362 10.634 -12.233 1.00 0.00 C ATOM 655 CD1 ILE A 43 17.363 11.143 -9.935 1.00 0.00 C ATOM 0 H ILE A 43 19.826 11.362 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 43 20.975 9.536 -9.953 1.00 0.00 H new ATOM 0 HB ILE A 43 19.607 12.082 -10.829 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.899 10.330 -11.833 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.404 9.358 -10.465 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.717 10.955 -13.051 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.329 11.129 -12.318 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.501 9.554 -12.283 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.394 10.644 -9.931 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.760 11.173 -8.920 1.00 0.00 H new ATOM 0 HD13 ILE A 43 17.246 12.160 -10.309 1.00 0.00 H new ATOM 667 N LEU A 44 22.972 11.091 -10.074 1.00 0.00 N ATOM 668 CA LEU A 44 24.126 11.971 -10.133 1.00 0.00 C ATOM 669 C LEU A 44 23.824 13.099 -11.116 1.00 0.00 C ATOM 670 O LEU A 44 23.170 12.873 -12.134 1.00 0.00 O ATOM 671 CB LEU A 44 25.367 11.168 -10.552 1.00 0.00 C ATOM 672 CG LEU A 44 26.724 11.803 -10.226 1.00 0.00 C ATOM 673 CD1 LEU A 44 27.788 10.725 -10.095 1.00 0.00 C ATOM 674 CD2 LEU A 44 27.129 12.802 -11.300 1.00 0.00 C ATOM 0 H LEU A 44 23.149 10.139 -10.395 1.00 0.00 H new ATOM 0 HA LEU A 44 24.332 12.406 -9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 44 25.321 10.191 -10.071 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.318 10.997 -11.627 1.00 0.00 H new ATOM 0 HG LEU A 44 26.632 12.334 -9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 44 28.748 11.187 -9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 44 27.513 10.038 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.867 10.176 -11.033 1.00 0.00 H new ATOM 0 HD21 LEU A 44 28.095 13.238 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 44 27.203 12.293 -12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 44 26.380 13.591 -11.364 1.00 0.00 H new ATOM 686 N ARG A 45 24.297 14.303 -10.804 1.00 0.00 N ATOM 687 CA ARG A 45 23.938 15.517 -11.548 1.00 0.00 C ATOM 688 C ARG A 45 24.118 15.399 -13.060 1.00 0.00 C ATOM 689 O ARG A 45 23.470 16.123 -13.811 1.00 0.00 O ATOM 690 CB ARG A 45 24.753 16.705 -11.043 1.00 0.00 C ATOM 691 CG ARG A 45 23.982 17.629 -10.115 1.00 0.00 C ATOM 692 CD ARG A 45 22.825 18.307 -10.833 1.00 0.00 C ATOM 693 NE ARG A 45 23.245 18.954 -12.080 1.00 0.00 N ATOM 694 CZ ARG A 45 23.851 20.141 -12.145 1.00 0.00 C ATOM 695 NH1 ARG A 45 24.148 20.811 -11.039 1.00 0.00 N ATOM 696 NH2 ARG A 45 24.166 20.654 -13.324 1.00 0.00 N ATOM 0 H ARG A 45 24.940 14.469 -10.030 1.00 0.00 H new ATOM 0 HA ARG A 45 22.874 15.666 -11.367 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.634 16.333 -10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 45 25.109 17.279 -11.898 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.601 17.059 -9.268 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.655 18.386 -9.713 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.054 17.569 -11.052 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.377 19.051 -10.174 1.00 0.00 H new ATOM 0 HE ARG A 45 23.062 18.464 -12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.913 20.419 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 45 24.611 21.718 -11.101 1.00 0.00 H new ATOM 0 HH21 ARG A 45 23.945 20.142 -14.178 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.629 21.561 -13.378 1.00 0.00 H new ATOM 710 N GLU A 46 24.972 14.491 -13.507 1.00 0.00 N ATOM 711 CA GLU A 46 25.299 14.408 -14.927 1.00 0.00 C ATOM 712 C GLU A 46 24.216 13.645 -15.690 1.00 0.00 C ATOM 713 O GLU A 46 23.956 13.914 -16.862 1.00 0.00 O ATOM 714 CB GLU A 46 26.674 13.757 -15.119 1.00 0.00 C ATOM 715 CG GLU A 46 27.146 13.735 -16.565 1.00 0.00 C ATOM 716 CD GLU A 46 28.653 13.668 -16.685 1.00 0.00 C ATOM 717 OE1 GLU A 46 29.225 12.573 -16.539 1.00 0.00 O ATOM 718 OE2 GLU A 46 29.278 14.726 -16.920 1.00 0.00 O ATOM 0 H GLU A 46 25.447 13.808 -12.918 1.00 0.00 H new ATOM 0 HA GLU A 46 25.341 15.419 -15.333 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.407 14.293 -14.515 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.637 12.735 -14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 46 26.706 12.877 -17.074 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.784 14.628 -17.075 1.00 0.00 H new ATOM 725 N ASN A 47 23.569 12.712 -15.007 1.00 0.00 N ATOM 726 CA ASN A 47 22.491 11.926 -15.603 1.00 0.00 C ATOM 727 C ASN A 47 21.143 12.474 -15.158 1.00 0.00 C ATOM 728 O ASN A 47 20.096 12.128 -15.707 1.00 0.00 O ATOM 729 CB ASN A 47 22.613 10.460 -15.182 1.00 0.00 C ATOM 730 CG ASN A 47 23.943 9.847 -15.575 1.00 0.00 C ATOM 731 OD1 ASN A 47 24.928 9.969 -14.851 1.00 0.00 O ATOM 732 ND2 ASN A 47 23.970 9.160 -16.706 1.00 0.00 N ATOM 0 H ASN A 47 23.771 12.478 -14.035 1.00 0.00 H new ATOM 0 HA ASN A 47 22.567 11.993 -16.688 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.488 10.385 -14.102 1.00 0.00 H new ATOM 0 HB3 ASN A 47 21.805 9.887 -15.637 1.00 0.00 H new ATOM 0 HD21 ASN A 47 24.833 8.706 -17.007 1.00 0.00 H new ATOM 0 HD22 ASN A 47 23.128 9.084 -17.277 1.00 0.00 H new ATOM 739 N LEU A 48 21.195 13.337 -14.153 1.00 0.00 N ATOM 740 CA LEU A 48 20.004 13.917 -13.548 1.00 0.00 C ATOM 741 C LEU A 48 19.217 14.735 -14.572 1.00 0.00 C ATOM 742 O LEU A 48 17.987 14.723 -14.573 1.00 0.00 O ATOM 743 CB LEU A 48 20.429 14.775 -12.341 1.00 0.00 C ATOM 744 CG LEU A 48 19.312 15.401 -11.496 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.843 16.714 -12.099 1.00 0.00 C ATOM 746 CD2 LEU A 48 18.144 14.439 -11.334 1.00 0.00 C ATOM 0 H LEU A 48 22.068 13.656 -13.733 1.00 0.00 H new ATOM 0 HA LEU A 48 19.342 13.123 -13.203 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.041 14.156 -11.686 1.00 0.00 H new ATOM 0 HB3 LEU A 48 21.067 15.580 -12.707 1.00 0.00 H new ATOM 0 HG LEU A 48 19.721 15.608 -10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.051 17.136 -11.480 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.679 17.412 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.462 16.537 -13.105 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.367 14.909 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.740 14.188 -12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.487 13.530 -10.840 1.00 0.00 H new ATOM 758 N GLU A 49 19.937 15.423 -15.450 1.00 0.00 N ATOM 759 CA GLU A 49 19.319 16.252 -16.478 1.00 0.00 C ATOM 760 C GLU A 49 18.327 15.442 -17.311 1.00 0.00 C ATOM 761 O GLU A 49 17.157 15.812 -17.445 1.00 0.00 O ATOM 762 CB GLU A 49 20.420 16.868 -17.357 1.00 0.00 C ATOM 763 CG GLU A 49 19.929 17.601 -18.600 1.00 0.00 C ATOM 764 CD GLU A 49 19.778 16.684 -19.799 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.653 15.814 -20.000 1.00 0.00 O ATOM 766 OE2 GLU A 49 18.786 16.822 -20.543 1.00 0.00 O ATOM 0 H GLU A 49 20.957 15.423 -15.470 1.00 0.00 H new ATOM 0 HA GLU A 49 18.755 17.055 -16.004 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.999 17.564 -16.750 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.100 16.075 -17.668 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.970 18.071 -18.384 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.628 18.401 -18.845 1.00 0.00 H new ATOM 773 N ARG A 50 18.782 14.316 -17.833 1.00 0.00 N ATOM 774 CA ARG A 50 17.957 13.513 -18.713 1.00 0.00 C ATOM 775 C ARG A 50 16.915 12.733 -17.920 1.00 0.00 C ATOM 776 O ARG A 50 15.889 12.324 -18.465 1.00 0.00 O ATOM 777 CB ARG A 50 18.829 12.576 -19.545 1.00 0.00 C ATOM 778 CG ARG A 50 18.139 12.056 -20.793 1.00 0.00 C ATOM 779 CD ARG A 50 19.149 11.599 -21.828 1.00 0.00 C ATOM 780 NE ARG A 50 20.124 12.649 -22.130 1.00 0.00 N ATOM 781 CZ ARG A 50 20.558 12.940 -23.357 1.00 0.00 C ATOM 782 NH1 ARG A 50 20.004 12.366 -24.415 1.00 0.00 N ATOM 783 NH2 ARG A 50 21.522 13.835 -23.522 1.00 0.00 N ATOM 0 H ARG A 50 19.715 13.940 -17.663 1.00 0.00 H new ATOM 0 HA ARG A 50 17.425 14.179 -19.392 1.00 0.00 H new ATOM 0 HB2 ARG A 50 19.739 13.101 -19.835 1.00 0.00 H new ATOM 0 HB3 ARG A 50 19.132 11.730 -18.928 1.00 0.00 H new ATOM 0 HG2 ARG A 50 17.483 11.226 -20.530 1.00 0.00 H new ATOM 0 HG3 ARG A 50 17.509 12.838 -21.216 1.00 0.00 H new ATOM 0 HD2 ARG A 50 19.669 10.713 -21.464 1.00 0.00 H new ATOM 0 HD3 ARG A 50 18.629 11.310 -22.742 1.00 0.00 H new ATOM 0 HE ARG A 50 20.495 13.193 -21.351 1.00 0.00 H new ATOM 0 HH11 ARG A 50 19.242 11.699 -24.293 1.00 0.00 H new ATOM 0 HH12 ARG A 50 20.339 12.592 -25.352 1.00 0.00 H new ATOM 0 HH21 ARG A 50 21.931 14.300 -22.711 1.00 0.00 H new ATOM 0 HH22 ARG A 50 21.855 14.059 -24.460 1.00 0.00 H new ATOM 797 N TYR A 51 17.158 12.548 -16.628 1.00 0.00 N ATOM 798 CA TYR A 51 16.184 11.877 -15.782 1.00 0.00 C ATOM 799 C TYR A 51 15.034 12.826 -15.455 1.00 0.00 C ATOM 800 O TYR A 51 13.900 12.393 -15.277 1.00 0.00 O ATOM 801 CB TYR A 51 16.822 11.340 -14.500 1.00 0.00 C ATOM 802 CG TYR A 51 15.920 10.375 -13.759 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.787 9.057 -14.180 1.00 0.00 C ATOM 804 CD2 TYR A 51 15.191 10.783 -12.652 1.00 0.00 C ATOM 805 CE1 TYR A 51 14.954 8.176 -13.518 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.358 9.907 -11.983 1.00 0.00 C ATOM 807 CZ TYR A 51 14.241 8.606 -12.421 1.00 0.00 C ATOM 808 OH TYR A 51 13.407 7.734 -11.757 1.00 0.00 O ATOM 0 H TYR A 51 18.008 12.849 -16.151 1.00 0.00 H new ATOM 0 HA TYR A 51 15.794 11.021 -16.332 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.758 10.839 -14.747 1.00 0.00 H new ATOM 0 HB3 TYR A 51 17.070 12.175 -13.845 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.345 8.716 -15.040 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.276 11.803 -12.307 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.862 7.155 -13.859 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.801 10.241 -11.120 1.00 0.00 H new ATOM 0 HH TYR A 51 13.756 6.822 -11.838 1.00 0.00 H new ATOM 818 N LEU A 52 15.323 14.124 -15.385 1.00 0.00 N ATOM 819 CA LEU A 52 14.268 15.129 -15.252 1.00 0.00 C ATOM 820 C LEU A 52 13.442 15.177 -16.530 1.00 0.00 C ATOM 821 O LEU A 52 12.243 15.446 -16.505 1.00 0.00 O ATOM 822 CB LEU A 52 14.851 16.516 -14.974 1.00 0.00 C ATOM 823 CG LEU A 52 15.607 16.671 -13.656 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.032 18.117 -13.466 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.756 16.205 -12.486 1.00 0.00 C ATOM 0 H LEU A 52 16.269 14.503 -15.418 1.00 0.00 H new ATOM 0 HA LEU A 52 13.638 14.846 -14.409 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.526 16.775 -15.790 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.037 17.241 -14.991 1.00 0.00 H new ATOM 0 HG LEU A 52 16.499 16.045 -13.693 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.570 18.217 -12.523 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.682 18.416 -14.288 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.149 18.756 -13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.316 16.325 -11.558 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.844 16.801 -12.439 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.497 15.155 -12.620 1.00 0.00 H new ATOM 837 N ARG A 53 14.097 14.924 -17.653 1.00 0.00 N ATOM 838 CA ARG A 53 13.403 14.799 -18.926 1.00 0.00 C ATOM 839 C ARG A 53 12.418 13.631 -18.856 1.00 0.00 C ATOM 840 O ARG A 53 11.331 13.677 -19.435 1.00 0.00 O ATOM 841 CB ARG A 53 14.407 14.578 -20.058 1.00 0.00 C ATOM 842 CG ARG A 53 13.788 14.630 -21.442 1.00 0.00 C ATOM 843 CD ARG A 53 14.752 14.119 -22.502 1.00 0.00 C ATOM 844 NE ARG A 53 15.064 12.703 -22.315 1.00 0.00 N ATOM 845 CZ ARG A 53 14.420 11.713 -22.930 1.00 0.00 C ATOM 846 NH1 ARG A 53 13.378 11.971 -23.707 1.00 0.00 N ATOM 847 NH2 ARG A 53 14.798 10.457 -22.744 1.00 0.00 N ATOM 0 H ARG A 53 15.108 14.801 -17.709 1.00 0.00 H new ATOM 0 HA ARG A 53 12.855 15.719 -19.128 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.189 15.334 -19.991 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.888 13.609 -19.921 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.877 14.031 -21.457 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.499 15.655 -21.675 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.318 14.268 -23.491 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.673 14.702 -22.467 1.00 0.00 H new ATOM 0 HE ARG A 53 15.820 12.459 -21.675 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.065 12.933 -23.837 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.889 11.208 -24.175 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.584 10.247 -22.129 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.303 9.700 -23.216 1.00 0.00 H new ATOM 861 N GLU A 54 12.816 12.592 -18.130 1.00 0.00 N ATOM 862 CA GLU A 54 11.966 11.432 -17.892 1.00 0.00 C ATOM 863 C GLU A 54 10.873 11.748 -16.868 1.00 0.00 C ATOM 864 O GLU A 54 9.681 11.725 -17.184 1.00 0.00 O ATOM 865 CB GLU A 54 12.804 10.257 -17.377 1.00 0.00 C ATOM 866 CG GLU A 54 13.782 9.687 -18.387 1.00 0.00 C ATOM 867 CD GLU A 54 13.099 8.905 -19.489 1.00 0.00 C ATOM 868 OE1 GLU A 54 11.993 8.374 -19.252 1.00 0.00 O ATOM 869 OE2 GLU A 54 13.672 8.808 -20.591 1.00 0.00 O ATOM 0 H GLU A 54 13.735 12.530 -17.691 1.00 0.00 H new ATOM 0 HA GLU A 54 11.498 11.167 -18.840 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.359 10.582 -16.497 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.131 9.462 -17.054 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.357 10.501 -18.828 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.491 9.038 -17.873 1.00 0.00 H new ATOM 876 N GLN A 55 11.292 12.036 -15.642 1.00 0.00 N ATOM 877 CA GLN A 55 10.374 12.194 -14.522 1.00 0.00 C ATOM 878 C GLN A 55 10.157 13.666 -14.165 1.00 0.00 C ATOM 879 O GLN A 55 9.021 14.140 -14.169 1.00 0.00 O ATOM 880 CB GLN A 55 10.922 11.438 -13.316 1.00 0.00 C ATOM 881 CG GLN A 55 9.934 11.307 -12.179 1.00 0.00 C ATOM 882 CD GLN A 55 8.858 10.270 -12.443 1.00 0.00 C ATOM 883 OE1 GLN A 55 8.458 10.029 -13.584 1.00 0.00 O ATOM 884 NE2 GLN A 55 8.389 9.638 -11.382 1.00 0.00 N ATOM 0 H GLN A 55 12.274 12.166 -15.397 1.00 0.00 H new ATOM 0 HA GLN A 55 9.406 11.785 -14.813 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.231 10.442 -13.633 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.814 11.949 -12.953 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.470 11.042 -11.268 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.463 12.274 -12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.745 9.866 -10.454 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.670 8.922 -11.491 1.00 0.00 H new ATOM 893 N LEU A 56 11.257 14.353 -13.822 1.00 0.00 N ATOM 894 CA LEU A 56 11.274 15.805 -13.542 1.00 0.00 C ATOM 895 C LEU A 56 11.003 16.111 -12.065 1.00 0.00 C ATOM 896 O LEU A 56 10.327 17.083 -11.731 1.00 0.00 O ATOM 897 CB LEU A 56 10.301 16.579 -14.447 1.00 0.00 C ATOM 898 CG LEU A 56 10.426 18.104 -14.393 1.00 0.00 C ATOM 899 CD1 LEU A 56 11.805 18.551 -14.856 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.342 18.762 -15.232 1.00 0.00 C ATOM 0 H LEU A 56 12.173 13.915 -13.729 1.00 0.00 H new ATOM 0 HA LEU A 56 12.283 16.148 -13.771 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.453 16.255 -15.477 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.282 16.305 -14.174 1.00 0.00 H new ATOM 0 HG LEU A 56 10.296 18.417 -13.357 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.870 19.638 -14.809 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.565 18.114 -14.209 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.969 18.222 -15.882 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.449 19.845 -15.180 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.437 18.437 -16.268 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.362 18.475 -14.850 1.00 0.00 H new ATOM 912 N GLY A 57 11.565 15.296 -11.188 1.00 0.00 N ATOM 913 CA GLY A 57 11.530 15.580 -9.765 1.00 0.00 C ATOM 914 C GLY A 57 10.165 15.381 -9.145 1.00 0.00 C ATOM 915 O GLY A 57 9.617 16.305 -8.554 1.00 0.00 O ATOM 0 H GLY A 57 12.050 14.434 -11.437 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.249 14.938 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.849 16.609 -9.600 1.00 0.00 H new ATOM 919 N PHE A 58 9.616 14.179 -9.264 1.00 0.00 N ATOM 920 CA PHE A 58 8.299 13.889 -8.703 1.00 0.00 C ATOM 921 C PHE A 58 8.116 12.406 -8.407 1.00 0.00 C ATOM 922 O PHE A 58 8.196 11.575 -9.312 1.00 0.00 O ATOM 923 CB PHE A 58 7.175 14.315 -9.665 1.00 0.00 C ATOM 924 CG PHE A 58 6.940 15.796 -9.764 1.00 0.00 C ATOM 925 CD1 PHE A 58 6.322 16.482 -8.728 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.327 16.501 -10.891 1.00 0.00 C ATOM 927 CE1 PHE A 58 6.099 17.842 -8.818 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.106 17.860 -10.987 1.00 0.00 C ATOM 929 CZ PHE A 58 6.491 18.532 -9.949 1.00 0.00 C ATOM 0 H PHE A 58 10.057 13.392 -9.740 1.00 0.00 H new ATOM 0 HA PHE A 58 8.240 14.457 -7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.407 13.933 -10.659 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.248 13.837 -9.348 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.012 15.947 -7.842 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.808 15.981 -11.706 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.619 18.366 -8.005 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.413 18.397 -11.872 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.317 19.595 -10.021 1.00 0.00 H new ATOM 939 N GLU A 59 7.863 12.062 -7.151 1.00 0.00 N ATOM 940 CA GLU A 59 7.267 10.776 -6.866 1.00 0.00 C ATOM 941 C GLU A 59 5.795 11.004 -6.598 1.00 0.00 C ATOM 942 O GLU A 59 5.406 11.430 -5.513 1.00 0.00 O ATOM 943 CB GLU A 59 7.943 10.086 -5.683 1.00 0.00 C ATOM 944 CG GLU A 59 9.153 9.260 -6.075 1.00 0.00 C ATOM 945 CD GLU A 59 8.771 8.000 -6.825 1.00 0.00 C ATOM 946 OE1 GLU A 59 8.183 8.103 -7.925 1.00 0.00 O ATOM 947 OE2 GLU A 59 9.044 6.896 -6.312 1.00 0.00 O ATOM 0 H GLU A 59 8.057 12.643 -6.336 1.00 0.00 H new ATOM 0 HA GLU A 59 7.400 10.111 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.248 10.841 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.218 9.441 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.816 9.863 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.712 8.991 -5.179 1.00 0.00 H new ATOM 954 N PHE A 60 4.981 10.710 -7.589 1.00 0.00 N ATOM 955 CA PHE A 60 3.592 11.111 -7.558 1.00 0.00 C ATOM 956 C PHE A 60 2.700 9.900 -7.422 1.00 0.00 C ATOM 957 O PHE A 60 2.579 9.092 -8.345 1.00 0.00 O ATOM 958 CB PHE A 60 3.239 11.895 -8.822 1.00 0.00 C ATOM 959 CG PHE A 60 2.147 12.905 -8.618 1.00 0.00 C ATOM 960 CD1 PHE A 60 0.814 12.550 -8.742 1.00 0.00 C ATOM 961 CD2 PHE A 60 2.462 14.218 -8.300 1.00 0.00 C ATOM 962 CE1 PHE A 60 -0.186 13.486 -8.550 1.00 0.00 C ATOM 963 CE2 PHE A 60 1.468 15.155 -8.108 1.00 0.00 C ATOM 964 CZ PHE A 60 0.142 14.789 -8.233 1.00 0.00 C ATOM 0 H PHE A 60 5.257 10.195 -8.425 1.00 0.00 H new ATOM 0 HA PHE A 60 3.434 11.756 -6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.132 12.405 -9.184 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.934 11.195 -9.600 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.553 11.532 -8.991 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.497 14.510 -8.202 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.222 13.198 -8.648 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.726 16.174 -7.860 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.637 15.521 -8.083 1.00 0.00 H new ATOM 974 N LYS A 61 2.094 9.765 -6.261 1.00 0.00 N ATOM 975 CA LYS A 61 1.216 8.652 -5.991 1.00 0.00 C ATOM 976 C LYS A 61 -0.162 9.181 -5.630 1.00 0.00 C ATOM 977 O LYS A 61 -0.360 10.392 -5.516 1.00 0.00 O ATOM 978 CB LYS A 61 1.775 7.797 -4.849 1.00 0.00 C ATOM 979 CG LYS A 61 3.259 7.466 -4.990 1.00 0.00 C ATOM 980 CD LYS A 61 3.553 6.667 -6.251 1.00 0.00 C ATOM 981 CE LYS A 61 5.045 6.390 -6.393 1.00 0.00 C ATOM 982 NZ LYS A 61 5.359 5.575 -7.596 1.00 0.00 N ATOM 0 H LYS A 61 2.196 10.419 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 61 1.142 8.025 -6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.618 8.321 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.209 6.867 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.836 8.391 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.588 6.900 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.007 5.724 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.198 7.216 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.584 7.336 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.402 5.871 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.385 5.414 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.868 4.660 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.044 6.080 -8.449 1.00 0.00 H new ATOM 996 N ASN A 62 -1.108 8.279 -5.462 1.00 0.00 N ATOM 997 CA ASN A 62 -2.467 8.646 -5.099 1.00 0.00 C ATOM 998 C ASN A 62 -3.205 7.409 -4.627 1.00 0.00 C ATOM 999 O ASN A 62 -2.702 6.295 -4.774 1.00 0.00 O ATOM 1000 CB ASN A 62 -3.202 9.289 -6.290 1.00 0.00 C ATOM 1001 CG ASN A 62 -3.413 8.340 -7.467 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -2.647 7.400 -7.681 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -4.446 8.596 -8.254 1.00 0.00 N ATOM 0 H ASN A 62 -0.960 7.276 -5.572 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.434 9.381 -4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.171 9.655 -5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.635 10.155 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.627 8.006 -9.066 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.061 9.383 -8.048 1.00 0.00 H new ATOM 1010 N ALA A 63 -4.390 7.595 -4.065 1.00 0.00 N ATOM 1011 CA ALA A 63 -5.198 6.470 -3.609 1.00 0.00 C ATOM 1012 C ALA A 63 -5.800 5.712 -4.785 1.00 0.00 C ATOM 1013 O ALA A 63 -6.478 4.701 -4.595 1.00 0.00 O ATOM 1014 CB ALA A 63 -6.308 6.957 -2.693 1.00 0.00 C ATOM 0 H ALA A 63 -4.814 8.510 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.546 5.792 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.904 6.107 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.873 7.457 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.945 7.657 -3.234 1.00 0.00 H new ATOM 1477 N ASP B 19 4.607 -1.478 7.615 1.00 0.00 N ATOM 1478 CA ASP B 19 4.762 -0.629 6.436 1.00 0.00 C ATOM 1479 C ASP B 19 3.805 0.565 6.472 1.00 0.00 C ATOM 1480 O ASP B 19 3.287 1.001 5.443 1.00 0.00 O ATOM 1481 CB ASP B 19 4.506 -1.473 5.184 1.00 0.00 C ATOM 1482 CG ASP B 19 3.235 -2.295 5.303 1.00 0.00 C ATOM 1483 OD1 ASP B 19 3.215 -3.250 6.120 1.00 0.00 O ATOM 1484 OD2 ASP B 19 2.253 -1.981 4.606 1.00 0.00 O ATOM 0 HA ASP B 19 5.777 -0.231 6.421 1.00 0.00 H new ATOM 0 HB2 ASP B 19 4.435 -0.820 4.314 1.00 0.00 H new ATOM 0 HB3 ASP B 19 5.353 -2.138 5.015 1.00 0.00 H new ATOM 1489 N VAL B 20 3.608 1.110 7.661 1.00 0.00 N ATOM 1490 CA VAL B 20 2.715 2.239 7.855 1.00 0.00 C ATOM 1491 C VAL B 20 3.473 3.547 7.650 1.00 0.00 C ATOM 1492 O VAL B 20 4.320 3.920 8.461 1.00 0.00 O ATOM 1493 CB VAL B 20 2.088 2.220 9.264 1.00 0.00 C ATOM 1494 CG1 VAL B 20 0.983 3.259 9.379 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.566 0.831 9.594 1.00 0.00 C ATOM 0 H VAL B 20 4.060 0.784 8.515 1.00 0.00 H new ATOM 0 HA VAL B 20 1.913 2.162 7.121 1.00 0.00 H new ATOM 0 HB VAL B 20 2.862 2.475 9.988 1.00 0.00 H new ATOM 0 HG11 VAL B 20 0.556 3.227 10.381 1.00 0.00 H new ATOM 0 HG12 VAL B 20 1.395 4.251 9.192 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.205 3.045 8.646 1.00 0.00 H new ATOM 0 HG21 VAL B 20 1.127 0.835 10.592 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.808 0.544 8.865 1.00 0.00 H new ATOM 0 HG23 VAL B 20 2.388 0.116 9.562 1.00 0.00 H new ATOM 1505 N GLN B 21 3.178 4.228 6.556 1.00 0.00 N ATOM 1506 CA GLN B 21 3.876 5.455 6.212 1.00 0.00 C ATOM 1507 C GLN B 21 3.137 6.679 6.741 1.00 0.00 C ATOM 1508 O GLN B 21 1.921 6.798 6.601 1.00 0.00 O ATOM 1509 CB GLN B 21 4.043 5.559 4.692 1.00 0.00 C ATOM 1510 CG GLN B 21 2.738 5.415 3.928 1.00 0.00 C ATOM 1511 CD GLN B 21 2.884 5.725 2.456 1.00 0.00 C ATOM 1512 OE1 GLN B 21 3.184 4.850 1.648 1.00 0.00 O ATOM 1513 NE2 GLN B 21 2.662 6.978 2.102 1.00 0.00 N ATOM 0 H GLN B 21 2.458 3.951 5.889 1.00 0.00 H new ATOM 0 HA GLN B 21 4.860 5.425 6.681 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.493 6.522 4.449 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.738 4.789 4.357 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.364 4.398 4.045 1.00 0.00 H new ATOM 0 HG3 GLN B 21 1.992 6.081 4.363 1.00 0.00 H new ATOM 0 HE21 GLN B 21 2.415 7.671 2.808 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.737 7.252 1.122 1.00 0.00 H new ATOM 1522 N ILE B 22 3.869 7.579 7.373 1.00 0.00 N ATOM 1523 CA ILE B 22 3.314 8.862 7.768 1.00 0.00 C ATOM 1524 C ILE B 22 3.808 9.924 6.801 1.00 0.00 C ATOM 1525 O ILE B 22 4.885 9.782 6.220 1.00 0.00 O ATOM 1526 CB ILE B 22 3.715 9.267 9.205 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.373 8.169 10.205 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.010 10.551 9.610 1.00 0.00 C ATOM 1529 CD1 ILE B 22 3.630 8.590 11.635 1.00 0.00 C ATOM 0 H ILE B 22 4.849 7.446 7.624 1.00 0.00 H new ATOM 0 HA ILE B 22 2.228 8.774 7.744 1.00 0.00 H new ATOM 0 HB ILE B 22 4.794 9.424 9.213 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.324 7.894 10.093 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.962 7.280 9.980 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.303 10.823 10.624 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.290 11.351 8.925 1.00 0.00 H new ATOM 0 HG23 ILE B 22 1.931 10.401 9.572 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.370 7.772 12.307 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.684 8.839 11.757 1.00 0.00 H new ATOM 0 HD13 ILE B 22 3.021 9.462 11.873 1.00 0.00 H new ATOM 1541 N ASP B 23 3.028 10.973 6.611 1.00 0.00 N ATOM 1542 CA ASP B 23 3.441 12.058 5.746 1.00 0.00 C ATOM 1543 C ASP B 23 4.309 13.047 6.534 1.00 0.00 C ATOM 1544 O ASP B 23 4.588 12.837 7.718 1.00 0.00 O ATOM 1545 CB ASP B 23 2.222 12.762 5.139 1.00 0.00 C ATOM 1546 CG ASP B 23 1.694 13.918 5.968 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.549 13.769 7.197 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.447 14.991 5.382 1.00 0.00 O ATOM 0 H ASP B 23 2.111 11.095 7.042 1.00 0.00 H new ATOM 0 HA ASP B 23 4.031 11.651 4.925 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.486 13.131 4.148 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.424 12.032 5.005 1.00 0.00 H new ATOM 1553 N PHE B 24 4.724 14.116 5.877 1.00 0.00 N ATOM 1554 CA PHE B 24 5.589 15.123 6.475 1.00 0.00 C ATOM 1555 C PHE B 24 4.901 15.849 7.631 1.00 0.00 C ATOM 1556 O PHE B 24 5.562 16.360 8.539 1.00 0.00 O ATOM 1557 CB PHE B 24 6.009 16.125 5.393 1.00 0.00 C ATOM 1558 CG PHE B 24 6.830 17.278 5.895 1.00 0.00 C ATOM 1559 CD1 PHE B 24 8.188 17.131 6.124 1.00 0.00 C ATOM 1560 CD2 PHE B 24 6.240 18.509 6.133 1.00 0.00 C ATOM 1561 CE1 PHE B 24 8.942 18.193 6.584 1.00 0.00 C ATOM 1562 CE2 PHE B 24 6.989 19.573 6.591 1.00 0.00 C ATOM 1563 CZ PHE B 24 8.341 19.415 6.816 1.00 0.00 C ATOM 0 H PHE B 24 4.470 14.313 4.909 1.00 0.00 H new ATOM 0 HA PHE B 24 6.467 14.625 6.886 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.578 15.597 4.628 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.113 16.516 4.911 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.662 16.178 5.941 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.182 18.637 5.958 1.00 0.00 H new ATOM 0 HE1 PHE B 24 10.000 18.068 6.762 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.518 20.528 6.773 1.00 0.00 H new ATOM 0 HZ PHE B 24 8.930 20.247 7.174 1.00 0.00 H new ATOM 1573 N TYR B 25 3.580 15.877 7.610 1.00 0.00 N ATOM 1574 CA TYR B 25 2.828 16.665 8.566 1.00 0.00 C ATOM 1575 C TYR B 25 2.502 15.866 9.832 1.00 0.00 C ATOM 1576 O TYR B 25 2.180 16.447 10.872 1.00 0.00 O ATOM 1577 CB TYR B 25 1.547 17.187 7.913 1.00 0.00 C ATOM 1578 CG TYR B 25 0.846 18.243 8.727 1.00 0.00 C ATOM 1579 CD1 TYR B 25 1.267 19.565 8.691 1.00 0.00 C ATOM 1580 CD2 TYR B 25 -0.226 17.918 9.542 1.00 0.00 C ATOM 1581 CE1 TYR B 25 0.639 20.533 9.450 1.00 0.00 C ATOM 1582 CE2 TYR B 25 -0.861 18.877 10.300 1.00 0.00 C ATOM 1583 CZ TYR B 25 -0.425 20.182 10.252 1.00 0.00 C ATOM 1584 OH TYR B 25 -1.052 21.135 11.022 1.00 0.00 O ATOM 0 H TYR B 25 3.007 15.363 6.941 1.00 0.00 H new ATOM 0 HA TYR B 25 3.447 17.509 8.869 1.00 0.00 H new ATOM 0 HB2 TYR B 25 1.789 17.596 6.932 1.00 0.00 H new ATOM 0 HB3 TYR B 25 0.865 16.352 7.750 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.099 19.841 8.060 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -0.570 16.895 9.584 1.00 0.00 H new ATOM 0 HE1 TYR B 25 0.979 21.557 9.415 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -1.697 18.607 10.929 1.00 0.00 H new ATOM 0 HH TYR B 25 -1.782 20.719 11.526 1.00 0.00 H new ATOM 1594 N GLY B 26 2.591 14.543 9.761 1.00 0.00 N ATOM 1595 CA GLY B 26 2.254 13.730 10.908 1.00 0.00 C ATOM 1596 C GLY B 26 0.897 13.081 10.752 1.00 0.00 C ATOM 1597 O GLY B 26 0.329 12.560 11.715 1.00 0.00 O ATOM 0 H GLY B 26 2.889 14.024 8.935 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.013 12.959 11.044 1.00 0.00 H new ATOM 0 HA3 GLY B 26 2.262 14.347 11.807 1.00 0.00 H new ATOM 1601 N ASP B 27 0.377 13.115 9.535 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.888 12.473 9.223 1.00 0.00 C ATOM 1603 C ASP B 27 -0.603 11.042 8.794 1.00 0.00 C ATOM 1604 O ASP B 27 0.266 10.803 7.950 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.612 13.240 8.107 1.00 0.00 C ATOM 1606 CG ASP B 27 -3.102 12.958 8.064 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -3.493 11.795 7.834 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -3.893 13.907 8.269 1.00 0.00 O ATOM 0 H ASP B 27 0.816 13.584 8.743 1.00 0.00 H new ATOM 0 HA ASP B 27 -1.536 12.472 10.100 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.454 14.309 8.247 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -1.170 12.976 7.146 1.00 0.00 H new ATOM 1613 N GLU B 28 -1.299 10.089 9.391 1.00 0.00 N ATOM 1614 CA GLU B 28 -1.022 8.686 9.136 1.00 0.00 C ATOM 1615 C GLU B 28 -1.569 8.289 7.769 1.00 0.00 C ATOM 1616 O GLU B 28 -2.765 8.034 7.616 1.00 0.00 O ATOM 1617 CB GLU B 28 -1.626 7.805 10.227 1.00 0.00 C ATOM 1618 CG GLU B 28 -1.003 6.424 10.297 1.00 0.00 C ATOM 1619 CD GLU B 28 -1.697 5.528 11.300 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -2.769 4.979 10.970 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -1.182 5.381 12.430 1.00 0.00 O ATOM 0 H GLU B 28 -2.056 10.260 10.052 1.00 0.00 H new ATOM 0 HA GLU B 28 0.058 8.539 9.143 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.506 8.299 11.191 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.697 7.704 10.051 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.042 5.960 9.311 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.050 6.516 10.564 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.688 8.245 6.783 1.00 0.00 N ATOM 1629 CA VAL B 29 -1.094 8.021 5.408 1.00 0.00 C ATOM 1630 C VAL B 29 -1.313 6.543 5.134 1.00 0.00 C ATOM 1631 O VAL B 29 -0.367 5.776 4.956 1.00 0.00 O ATOM 1632 CB VAL B 29 -0.058 8.577 4.411 1.00 0.00 C ATOM 1633 CG1 VAL B 29 -0.538 8.408 2.979 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.235 10.039 4.700 1.00 0.00 C ATOM 0 H VAL B 29 0.317 8.362 6.912 1.00 0.00 H new ATOM 0 HA VAL B 29 -2.034 8.554 5.268 1.00 0.00 H new ATOM 0 HB VAL B 29 0.864 8.008 4.533 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.210 8.808 2.295 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.692 7.350 2.770 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -1.477 8.945 2.844 1.00 0.00 H new ATOM 0 HG21 VAL B 29 0.968 10.411 3.985 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.684 10.619 4.612 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.631 10.138 5.711 1.00 0.00 H new ATOM 1644 N THR B 30 -2.568 6.150 5.127 1.00 0.00 N ATOM 1645 CA THR B 30 -2.938 4.800 4.766 1.00 0.00 C ATOM 1646 C THR B 30 -3.091 4.702 3.246 1.00 0.00 C ATOM 1647 O THR B 30 -3.207 5.726 2.571 1.00 0.00 O ATOM 1648 CB THR B 30 -4.245 4.394 5.475 1.00 0.00 C ATOM 1649 OG1 THR B 30 -5.237 5.415 5.301 1.00 0.00 O ATOM 1650 CG2 THR B 30 -4.000 4.172 6.961 1.00 0.00 C ATOM 0 H THR B 30 -3.355 6.752 5.369 1.00 0.00 H new ATOM 0 HA THR B 30 -2.155 4.113 5.087 1.00 0.00 H new ATOM 0 HB THR B 30 -4.601 3.464 5.032 1.00 0.00 H new ATOM 0 HG1 THR B 30 -6.064 5.148 5.753 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.934 3.886 7.445 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.265 3.379 7.094 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.626 5.092 7.410 1.00 0.00 H new ATOM 1658 N PRO B 31 -3.090 3.481 2.683 1.00 0.00 N ATOM 1659 CA PRO B 31 -3.190 3.269 1.224 1.00 0.00 C ATOM 1660 C PRO B 31 -4.565 3.640 0.647 1.00 0.00 C ATOM 1661 O PRO B 31 -4.931 3.193 -0.437 1.00 0.00 O ATOM 1662 CB PRO B 31 -2.928 1.768 1.066 1.00 0.00 C ATOM 1663 CG PRO B 31 -3.317 1.175 2.376 1.00 0.00 C ATOM 1664 CD PRO B 31 -2.965 2.203 3.412 1.00 0.00 C ATOM 0 HA PRO B 31 -2.490 3.904 0.681 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -3.517 1.347 0.251 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -1.881 1.571 0.838 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -4.382 0.945 2.400 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -2.785 0.241 2.556 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -3.641 2.160 4.266 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -1.956 2.057 3.796 1.00 0.00 H new ATOM 1672 N VAL B 32 -5.311 4.458 1.376 1.00 0.00 N ATOM 1673 CA VAL B 32 -6.635 4.883 0.944 1.00 0.00 C ATOM 1674 C VAL B 32 -6.653 6.400 0.725 1.00 0.00 C ATOM 1675 O VAL B 32 -7.677 6.978 0.354 1.00 0.00 O ATOM 1676 CB VAL B 32 -7.711 4.489 1.987 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -9.115 4.625 1.413 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -7.476 3.071 2.493 1.00 0.00 C ATOM 0 H VAL B 32 -5.020 4.843 2.275 1.00 0.00 H new ATOM 0 HA VAL B 32 -6.866 4.379 0.005 1.00 0.00 H new ATOM 0 HB VAL B 32 -7.625 5.177 2.828 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -9.846 4.341 2.170 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -9.287 5.659 1.112 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -9.218 3.973 0.546 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -8.242 2.814 3.224 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -7.524 2.374 1.657 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -6.493 3.010 2.960 1.00 0.00 H new ATOM 1688 N ASP B 33 -5.509 7.042 0.934 1.00 0.00 N ATOM 1689 CA ASP B 33 -5.416 8.494 0.796 1.00 0.00 C ATOM 1690 C ASP B 33 -4.362 8.870 -0.247 1.00 0.00 C ATOM 1691 O ASP B 33 -3.594 8.022 -0.701 1.00 0.00 O ATOM 1692 CB ASP B 33 -5.079 9.145 2.143 1.00 0.00 C ATOM 1693 CG ASP B 33 -5.674 10.536 2.287 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -5.682 11.301 1.296 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -6.141 10.872 3.398 1.00 0.00 O ATOM 0 H ASP B 33 -4.636 6.585 1.198 1.00 0.00 H new ATOM 0 HA ASP B 33 -6.385 8.865 0.462 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -5.447 8.512 2.950 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.996 9.204 2.253 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.328 10.147 -0.607 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.412 10.646 -1.631 1.00 0.00 C ATOM 1702 C ASP B 34 -2.126 11.144 -0.999 1.00 0.00 C ATOM 1703 O ASP B 34 -2.149 12.010 -0.121 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.041 11.798 -2.426 1.00 0.00 C ATOM 1705 CG ASP B 34 -5.005 11.345 -3.504 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -5.617 10.267 -3.359 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -5.177 12.090 -4.490 1.00 0.00 O ATOM 0 H ASP B 34 -4.930 10.864 -0.202 1.00 0.00 H new ATOM 0 HA ASP B 34 -3.200 9.816 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.567 12.458 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.246 12.385 -2.886 1.00 0.00 H new ATOM 1712 N TYR B 35 -1.002 10.617 -1.450 1.00 0.00 N ATOM 1713 CA TYR B 35 0.284 11.062 -0.948 1.00 0.00 C ATOM 1714 C TYR B 35 1.273 11.233 -2.087 1.00 0.00 C ATOM 1715 O TYR B 35 1.234 10.501 -3.074 1.00 0.00 O ATOM 1716 CB TYR B 35 0.837 10.078 0.089 1.00 0.00 C ATOM 1717 CG TYR B 35 1.471 8.832 -0.499 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.707 7.717 -0.827 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.842 8.773 -0.718 1.00 0.00 C ATOM 1720 CE1 TYR B 35 1.294 6.583 -1.359 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.435 7.645 -1.249 1.00 0.00 C ATOM 1722 CZ TYR B 35 2.657 6.552 -1.568 1.00 0.00 C ATOM 1723 OH TYR B 35 3.241 5.427 -2.099 1.00 0.00 O ATOM 0 H TYR B 35 -0.954 9.885 -2.159 1.00 0.00 H new ATOM 0 HA TYR B 35 0.139 12.027 -0.463 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.578 10.593 0.700 1.00 0.00 H new ATOM 0 HB3 TYR B 35 0.027 9.778 0.754 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.360 7.737 -0.664 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.455 9.626 -0.468 1.00 0.00 H new ATOM 0 HE1 TYR B 35 0.687 5.725 -1.610 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.502 7.619 -1.414 1.00 0.00 H new ATOM 0 HH TYR B 35 4.207 5.569 -2.183 1.00 0.00 H new ATOM 1733 N VAL B 36 2.150 12.205 -1.948 1.00 0.00 N ATOM 1734 CA VAL B 36 3.200 12.439 -2.923 1.00 0.00 C ATOM 1735 C VAL B 36 4.543 12.494 -2.214 1.00 0.00 C ATOM 1736 O VAL B 36 4.649 13.048 -1.121 1.00 0.00 O ATOM 1737 CB VAL B 36 2.951 13.742 -3.716 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.151 14.122 -4.571 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.717 13.590 -4.589 1.00 0.00 C ATOM 0 H VAL B 36 2.157 12.854 -1.161 1.00 0.00 H new ATOM 0 HA VAL B 36 3.201 11.617 -3.639 1.00 0.00 H new ATOM 0 HB VAL B 36 2.792 14.544 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL B 36 3.935 15.043 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.021 14.272 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.358 13.323 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.548 14.513 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.865 12.767 -5.288 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.851 13.381 -3.961 1.00 0.00 H new ATOM 1749 N ILE B 37 5.550 11.890 -2.817 1.00 0.00 N ATOM 1750 CA ILE B 37 6.873 11.864 -2.234 1.00 0.00 C ATOM 1751 C ILE B 37 7.747 12.927 -2.888 1.00 0.00 C ATOM 1752 O ILE B 37 8.049 12.872 -4.093 1.00 0.00 O ATOM 1753 CB ILE B 37 7.512 10.460 -2.333 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.579 9.426 -1.690 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.871 10.441 -1.649 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.140 8.019 -1.645 1.00 0.00 C ATOM 0 H ILE B 37 5.474 11.410 -3.714 1.00 0.00 H new ATOM 0 HA ILE B 37 6.788 12.092 -1.172 1.00 0.00 H new ATOM 0 HB ILE B 37 7.657 10.210 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.349 9.745 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.638 9.412 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.305 9.444 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.530 11.164 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.753 10.701 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.416 7.353 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.343 7.676 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.065 8.014 -1.068 1.00 0.00 H new ATOM 1768 N ASP B 38 8.110 13.912 -2.078 1.00 0.00 N ATOM 1769 CA ASP B 38 8.867 15.067 -2.539 1.00 0.00 C ATOM 1770 C ASP B 38 10.300 14.971 -2.041 1.00 0.00 C ATOM 1771 O ASP B 38 10.622 15.380 -0.921 1.00 0.00 O ATOM 1772 CB ASP B 38 8.210 16.364 -2.049 1.00 0.00 C ATOM 1773 CG ASP B 38 8.821 17.630 -2.639 1.00 0.00 C ATOM 1774 OD1 ASP B 38 10.048 17.673 -2.852 1.00 0.00 O ATOM 1775 OD2 ASP B 38 8.064 18.596 -2.895 1.00 0.00 O ATOM 0 H ASP B 38 7.888 13.933 -1.083 1.00 0.00 H new ATOM 0 HA ASP B 38 8.873 15.080 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.148 16.337 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.285 16.409 -0.962 1.00 0.00 H new ATOM 1780 N GLY B 39 11.132 14.345 -2.848 1.00 0.00 N ATOM 1781 CA GLY B 39 12.553 14.306 -2.576 1.00 0.00 C ATOM 1782 C GLY B 39 12.945 13.242 -1.569 1.00 0.00 C ATOM 1783 O GLY B 39 14.076 13.229 -1.084 1.00 0.00 O ATOM 0 H GLY B 39 10.848 13.857 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY B 39 13.089 14.128 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY B 39 12.871 15.281 -2.206 1.00 0.00 H new ATOM 1787 N GLY B 40 12.025 12.346 -1.260 1.00 0.00 N ATOM 1788 CA GLY B 40 12.325 11.280 -0.326 1.00 0.00 C ATOM 1789 C GLY B 40 11.316 11.193 0.797 1.00 0.00 C ATOM 1790 O GLY B 40 11.065 10.109 1.327 1.00 0.00 O ATOM 0 H GLY B 40 11.077 12.335 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY B 40 12.352 10.330 -0.860 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.318 11.438 0.094 1.00 0.00 H new ATOM 1794 N GLU B 41 10.739 12.329 1.167 1.00 0.00 N ATOM 1795 CA GLU B 41 9.728 12.355 2.213 1.00 0.00 C ATOM 1796 C GLU B 41 8.324 12.353 1.626 1.00 0.00 C ATOM 1797 O GLU B 41 8.091 12.851 0.525 1.00 0.00 O ATOM 1798 CB GLU B 41 9.911 13.562 3.136 1.00 0.00 C ATOM 1799 CG GLU B 41 11.143 13.464 4.019 1.00 0.00 C ATOM 1800 CD GLU B 41 11.183 14.539 5.083 1.00 0.00 C ATOM 1801 OE1 GLU B 41 10.461 14.407 6.092 1.00 0.00 O ATOM 1802 OE2 GLU B 41 11.945 15.515 4.925 1.00 0.00 O ATOM 0 H GLU B 41 10.953 13.240 0.760 1.00 0.00 H new ATOM 0 HA GLU B 41 9.855 11.448 2.804 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.978 14.466 2.531 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.028 13.665 3.767 1.00 0.00 H new ATOM 0 HG2 GLU B 41 11.166 12.484 4.496 1.00 0.00 H new ATOM 0 HG3 GLU B 41 12.037 13.538 3.399 1.00 0.00 H new ATOM 1809 N ILE B 42 7.404 11.781 2.378 1.00 0.00 N ATOM 1810 CA ILE B 42 6.010 11.662 1.975 1.00 0.00 C ATOM 1811 C ILE B 42 5.225 12.881 2.435 1.00 0.00 C ATOM 1812 O ILE B 42 5.474 13.394 3.514 1.00 0.00 O ATOM 1813 CB ILE B 42 5.383 10.397 2.606 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.120 9.150 2.128 1.00 0.00 C ATOM 1815 CG2 ILE B 42 3.896 10.300 2.281 1.00 0.00 C ATOM 1816 CD1 ILE B 42 5.841 7.923 2.964 1.00 0.00 C ATOM 0 H ILE B 42 7.602 11.381 3.295 1.00 0.00 H new ATOM 0 HA ILE B 42 5.970 11.590 0.888 1.00 0.00 H new ATOM 0 HB ILE B 42 5.483 10.470 3.689 1.00 0.00 H new ATOM 0 HG12 ILE B 42 5.839 8.946 1.095 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.192 9.347 2.134 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.482 9.401 2.737 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.380 11.177 2.673 1.00 0.00 H new ATOM 0 HG23 ILE B 42 3.762 10.253 1.200 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.399 7.076 2.565 1.00 0.00 H new ATOM 0 HD12 ILE B 42 6.148 8.107 3.994 1.00 0.00 H new ATOM 0 HD13 ILE B 42 4.774 7.700 2.938 1.00 0.00 H new ATOM 1828 N ILE B 43 4.309 13.367 1.611 1.00 0.00 N ATOM 1829 CA ILE B 43 3.378 14.401 2.043 1.00 0.00 C ATOM 1830 C ILE B 43 1.972 14.038 1.590 1.00 0.00 C ATOM 1831 O ILE B 43 1.759 13.700 0.422 1.00 0.00 O ATOM 1832 CB ILE B 43 3.720 15.816 1.502 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.205 16.152 1.679 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.872 16.868 2.207 1.00 0.00 C ATOM 1835 CD1 ILE B 43 6.091 15.601 0.580 1.00 0.00 C ATOM 0 H ILE B 43 4.190 13.065 0.644 1.00 0.00 H new ATOM 0 HA ILE B 43 3.453 14.444 3.130 1.00 0.00 H new ATOM 0 HB ILE B 43 3.499 15.818 0.435 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.321 17.235 1.718 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.545 15.760 2.638 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.121 17.856 1.819 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.816 16.664 2.029 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.071 16.838 3.278 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.127 15.879 0.774 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.006 14.515 0.554 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.778 16.012 -0.380 1.00 0.00 H new ATOM 1847 N LEU B 44 1.020 14.084 2.509 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.364 13.808 2.172 1.00 0.00 C ATOM 1849 C LEU B 44 -0.898 14.984 1.367 1.00 0.00 C ATOM 1850 O LEU B 44 -0.623 16.137 1.694 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.186 13.577 3.449 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.444 12.713 3.288 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.914 12.211 4.642 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -3.561 13.490 2.616 1.00 0.00 C ATOM 0 H LEU B 44 1.182 14.309 3.491 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.440 12.900 1.574 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.541 13.111 4.194 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -1.483 14.547 3.847 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.186 11.863 2.656 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.807 11.599 4.513 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -2.127 11.612 5.101 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.145 13.060 5.285 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.439 12.852 2.516 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.813 14.361 3.221 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.235 13.816 1.628 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.653 14.704 0.315 1.00 0.00 N ATOM 1867 CA ARG B 45 -2.050 15.738 -0.635 1.00 0.00 C ATOM 1868 C ARG B 45 -3.066 16.718 -0.075 1.00 0.00 C ATOM 1869 O ARG B 45 -3.482 17.636 -0.766 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.552 15.140 -1.935 1.00 0.00 C ATOM 1871 CG ARG B 45 -1.425 14.743 -2.866 1.00 0.00 C ATOM 1872 CD ARG B 45 -1.746 15.122 -4.296 1.00 0.00 C ATOM 1873 NE ARG B 45 -2.938 14.443 -4.753 1.00 0.00 N ATOM 1874 CZ ARG B 45 -3.493 14.615 -5.953 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -3.062 15.579 -6.756 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -4.509 13.846 -6.325 1.00 0.00 N ATOM 0 H ARG B 45 -2.004 13.772 0.096 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.143 16.308 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.163 14.264 -1.716 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.197 15.861 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.502 15.232 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -1.255 13.668 -2.800 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -1.886 16.201 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -0.906 14.866 -4.942 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.385 13.787 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -2.304 16.192 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -3.489 15.708 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.862 13.127 -5.694 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.937 13.974 -7.242 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.459 16.537 1.167 1.00 0.00 N ATOM 1891 CA GLU B 46 -4.269 17.538 1.836 1.00 0.00 C ATOM 1892 C GLU B 46 -3.351 18.650 2.342 1.00 0.00 C ATOM 1893 O GLU B 46 -3.793 19.750 2.674 1.00 0.00 O ATOM 1894 CB GLU B 46 -5.058 16.901 2.983 1.00 0.00 C ATOM 1895 CG GLU B 46 -5.962 17.875 3.712 1.00 0.00 C ATOM 1896 CD GLU B 46 -6.956 17.186 4.615 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -6.606 16.876 5.772 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -8.103 16.967 4.173 1.00 0.00 O ATOM 0 H GLU B 46 -3.235 15.717 1.731 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.992 17.963 1.140 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.662 16.084 2.588 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -4.358 16.464 3.696 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -5.352 18.557 4.304 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.500 18.481 2.982 1.00 0.00 H new ATOM 1905 N ASN B 47 -2.058 18.344 2.367 1.00 0.00 N ATOM 1906 CA ASN B 47 -1.039 19.270 2.845 1.00 0.00 C ATOM 1907 C ASN B 47 0.039 19.469 1.778 1.00 0.00 C ATOM 1908 O ASN B 47 1.024 20.176 1.996 1.00 0.00 O ATOM 1909 CB ASN B 47 -0.387 18.715 4.120 1.00 0.00 C ATOM 1910 CG ASN B 47 -1.388 18.365 5.210 1.00 0.00 C ATOM 1911 OD1 ASN B 47 -2.413 19.030 5.371 1.00 0.00 O ATOM 1912 ND2 ASN B 47 -1.110 17.302 5.951 1.00 0.00 N ATOM 0 H ASN B 47 -1.687 17.446 2.056 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.514 20.227 3.061 1.00 0.00 H new ATOM 0 HB2 ASN B 47 0.188 17.825 3.866 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.318 19.450 4.508 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -1.755 17.009 6.685 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -0.251 16.777 5.787 1.00 0.00 H new ATOM 1919 N LEU B 48 -0.158 18.846 0.615 1.00 0.00 N ATOM 1920 CA LEU B 48 0.888 18.790 -0.403 1.00 0.00 C ATOM 1921 C LEU B 48 1.086 20.133 -1.100 1.00 0.00 C ATOM 1922 O LEU B 48 2.213 20.486 -1.451 1.00 0.00 O ATOM 1923 CB LEU B 48 0.603 17.703 -1.453 1.00 0.00 C ATOM 1924 CG LEU B 48 1.654 17.622 -2.560 1.00 0.00 C ATOM 1925 CD1 LEU B 48 2.937 17.001 -2.032 1.00 0.00 C ATOM 1926 CD2 LEU B 48 1.125 16.847 -3.750 1.00 0.00 C ATOM 0 H LEU B 48 -1.026 18.377 0.357 1.00 0.00 H new ATOM 0 HA LEU B 48 1.808 18.538 0.125 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.540 16.736 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.371 17.893 -1.903 1.00 0.00 H new ATOM 0 HG LEU B 48 1.879 18.635 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.674 16.951 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.328 17.611 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.731 15.995 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.890 16.803 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.865 15.835 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.239 17.345 -4.144 1.00 0.00 H new ATOM 1938 N GLU B 49 0.001 20.880 -1.290 1.00 0.00 N ATOM 1939 CA GLU B 49 0.050 22.148 -2.022 1.00 0.00 C ATOM 1940 C GLU B 49 1.134 23.082 -1.495 1.00 0.00 C ATOM 1941 O GLU B 49 1.836 23.723 -2.275 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.300 22.866 -1.976 1.00 0.00 C ATOM 1943 CG GLU B 49 -2.331 22.319 -2.951 1.00 0.00 C ATOM 1944 CD GLU B 49 -2.749 20.897 -2.646 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -2.822 20.541 -1.454 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -3.039 20.142 -3.601 1.00 0.00 O ATOM 0 H GLU B 49 -0.926 20.630 -0.947 1.00 0.00 H new ATOM 0 HA GLU B 49 0.292 21.893 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -1.701 22.798 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -1.143 23.924 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.212 22.961 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.924 22.362 -3.961 1.00 0.00 H new ATOM 1953 N ARG B 50 1.279 23.158 -0.181 1.00 0.00 N ATOM 1954 CA ARG B 50 2.248 24.071 0.411 1.00 0.00 C ATOM 1955 C ARG B 50 3.664 23.516 0.306 1.00 0.00 C ATOM 1956 O ARG B 50 4.628 24.267 0.134 1.00 0.00 O ATOM 1957 CB ARG B 50 1.895 24.364 1.866 1.00 0.00 C ATOM 1958 CG ARG B 50 2.757 25.450 2.486 1.00 0.00 C ATOM 1959 CD ARG B 50 2.015 26.164 3.599 1.00 0.00 C ATOM 1960 NE ARG B 50 0.725 26.669 3.132 1.00 0.00 N ATOM 1961 CZ ARG B 50 0.336 27.937 3.220 1.00 0.00 C ATOM 1962 NH1 ARG B 50 1.160 28.866 3.690 1.00 0.00 N ATOM 1963 NH2 ARG B 50 -0.872 28.275 2.801 1.00 0.00 N ATOM 0 H ARG B 50 0.745 22.606 0.490 1.00 0.00 H new ATOM 0 HA ARG B 50 2.210 25.005 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG B 50 0.848 24.662 1.926 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.000 23.449 2.449 1.00 0.00 H new ATOM 0 HG2 ARG B 50 3.674 25.011 2.879 1.00 0.00 H new ATOM 0 HG3 ARG B 50 3.050 26.168 1.720 1.00 0.00 H new ATOM 0 HD2 ARG B 50 1.861 25.481 4.434 1.00 0.00 H new ATOM 0 HD3 ARG B 50 2.620 26.991 3.971 1.00 0.00 H new ATOM 0 HE ARG B 50 0.079 26.002 2.709 1.00 0.00 H new ATOM 0 HH11 ARG B 50 2.101 28.609 3.988 1.00 0.00 H new ATOM 0 HH12 ARG B 50 0.852 29.836 3.753 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.495 27.566 2.415 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -1.181 29.245 2.864 1.00 0.00 H new ATOM 1977 N TYR B 51 3.794 22.203 0.382 1.00 0.00 N ATOM 1978 CA TYR B 51 5.103 21.584 0.283 1.00 0.00 C ATOM 1979 C TYR B 51 5.612 21.697 -1.153 1.00 0.00 C ATOM 1980 O TYR B 51 6.796 21.954 -1.388 1.00 0.00 O ATOM 1981 CB TYR B 51 5.056 20.127 0.740 1.00 0.00 C ATOM 1982 CG TYR B 51 6.412 19.586 1.120 1.00 0.00 C ATOM 1983 CD1 TYR B 51 6.917 19.762 2.403 1.00 0.00 C ATOM 1984 CD2 TYR B 51 7.193 18.916 0.196 1.00 0.00 C ATOM 1985 CE1 TYR B 51 8.162 19.277 2.750 1.00 0.00 C ATOM 1986 CE2 TYR B 51 8.437 18.432 0.534 1.00 0.00 C ATOM 1987 CZ TYR B 51 8.918 18.613 1.807 1.00 0.00 C ATOM 1988 OH TYR B 51 10.168 18.136 2.132 1.00 0.00 O ATOM 0 H TYR B 51 3.019 21.552 0.510 1.00 0.00 H new ATOM 0 HA TYR B 51 5.795 22.107 0.944 1.00 0.00 H new ATOM 0 HB2 TYR B 51 4.384 20.041 1.594 1.00 0.00 H new ATOM 0 HB3 TYR B 51 4.637 19.515 -0.058 1.00 0.00 H new ATOM 0 HD1 TYR B 51 6.326 20.286 3.140 1.00 0.00 H new ATOM 0 HD2 TYR B 51 6.821 18.770 -0.807 1.00 0.00 H new ATOM 0 HE1 TYR B 51 8.541 19.416 3.752 1.00 0.00 H new ATOM 0 HE2 TYR B 51 9.033 17.911 -0.201 1.00 0.00 H new ATOM 0 HH TYR B 51 10.833 18.519 1.522 1.00 0.00 H new ATOM 1998 N LEU B 52 4.702 21.543 -2.113 1.00 0.00 N ATOM 1999 CA LEU B 52 5.024 21.783 -3.516 1.00 0.00 C ATOM 2000 C LEU B 52 5.300 23.263 -3.743 1.00 0.00 C ATOM 2001 O LEU B 52 6.070 23.639 -4.626 1.00 0.00 O ATOM 2002 CB LEU B 52 3.879 21.338 -4.429 1.00 0.00 C ATOM 2003 CG LEU B 52 3.598 19.835 -4.456 1.00 0.00 C ATOM 2004 CD1 LEU B 52 2.519 19.526 -5.481 1.00 0.00 C ATOM 2005 CD2 LEU B 52 4.865 19.052 -4.767 1.00 0.00 C ATOM 0 H LEU B 52 3.738 21.254 -1.944 1.00 0.00 H new ATOM 0 HA LEU B 52 5.912 21.200 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU B 52 2.970 21.853 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.100 21.666 -5.445 1.00 0.00 H new ATOM 0 HG LEU B 52 3.247 19.532 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU B 52 2.325 18.453 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU B 52 1.604 20.057 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU B 52 2.853 19.846 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU B 52 4.640 17.986 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU B 52 5.250 19.354 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.615 19.255 -4.002 1.00 0.00 H new ATOM 2017 N ARG B 53 4.666 24.098 -2.934 1.00 0.00 N ATOM 2018 CA ARG B 53 4.885 25.535 -2.983 1.00 0.00 C ATOM 2019 C ARG B 53 6.314 25.856 -2.561 1.00 0.00 C ATOM 2020 O ARG B 53 6.888 26.861 -2.986 1.00 0.00 O ATOM 2021 CB ARG B 53 3.883 26.257 -2.071 1.00 0.00 C ATOM 2022 CG ARG B 53 4.037 27.771 -2.051 1.00 0.00 C ATOM 2023 CD ARG B 53 3.051 28.428 -1.094 1.00 0.00 C ATOM 2024 NE ARG B 53 1.661 28.162 -1.464 1.00 0.00 N ATOM 2025 CZ ARG B 53 0.655 29.015 -1.266 1.00 0.00 C ATOM 2026 NH1 ARG B 53 0.865 30.186 -0.671 1.00 0.00 N ATOM 2027 NH2 ARG B 53 -0.569 28.689 -1.663 1.00 0.00 N ATOM 0 H ARG B 53 3.990 23.801 -2.230 1.00 0.00 H new ATOM 0 HA ARG B 53 4.733 25.882 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG B 53 2.872 26.010 -2.394 1.00 0.00 H new ATOM 0 HB3 ARG B 53 3.995 25.878 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG B 53 5.055 28.029 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG B 53 3.885 28.165 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG B 53 3.232 28.064 -0.082 1.00 0.00 H new ATOM 0 HD3 ARG B 53 3.222 29.504 -1.081 1.00 0.00 H new ATOM 0 HE ARG B 53 1.447 27.266 -1.902 1.00 0.00 H new ATOM 0 HH11 ARG B 53 1.803 30.440 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG B 53 0.088 30.830 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -0.736 27.791 -2.116 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -1.343 29.337 -1.515 1.00 0.00 H new ATOM 2041 N GLU B 54 6.890 25.005 -1.721 1.00 0.00 N ATOM 2042 CA GLU B 54 8.258 25.209 -1.278 1.00 0.00 C ATOM 2043 C GLU B 54 9.251 24.728 -2.347 1.00 0.00 C ATOM 2044 O GLU B 54 9.898 25.545 -3.004 1.00 0.00 O ATOM 2045 CB GLU B 54 8.478 24.469 0.047 1.00 0.00 C ATOM 2046 CG GLU B 54 9.599 25.023 0.916 1.00 0.00 C ATOM 2047 CD GLU B 54 10.986 24.774 0.356 1.00 0.00 C ATOM 2048 OE1 GLU B 54 11.523 23.662 0.554 1.00 0.00 O ATOM 2049 OE2 GLU B 54 11.554 25.694 -0.271 1.00 0.00 O ATOM 0 H GLU B 54 6.435 24.176 -1.338 1.00 0.00 H new ATOM 0 HA GLU B 54 8.431 26.274 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU B 54 7.550 24.494 0.618 1.00 0.00 H new ATOM 0 HB3 GLU B 54 8.691 23.422 -0.170 1.00 0.00 H new ATOM 0 HG2 GLU B 54 9.454 26.096 1.039 1.00 0.00 H new ATOM 0 HG3 GLU B 54 9.532 24.576 1.908 1.00 0.00 H new ATOM 2056 N GLN B 55 9.341 23.413 -2.553 1.00 0.00 N ATOM 2057 CA GLN B 55 10.265 22.874 -3.552 1.00 0.00 C ATOM 2058 C GLN B 55 9.572 22.412 -4.833 1.00 0.00 C ATOM 2059 O GLN B 55 10.016 22.776 -5.926 1.00 0.00 O ATOM 2060 CB GLN B 55 11.137 21.763 -2.968 1.00 0.00 C ATOM 2061 CG GLN B 55 10.436 20.857 -1.977 1.00 0.00 C ATOM 2062 CD GLN B 55 11.426 19.989 -1.225 1.00 0.00 C ATOM 2063 OE1 GLN B 55 11.237 19.666 -0.050 1.00 0.00 O ATOM 2064 NE2 GLN B 55 12.492 19.600 -1.902 1.00 0.00 N ATOM 0 H GLN B 55 8.796 22.712 -2.051 1.00 0.00 H new ATOM 0 HA GLN B 55 10.911 23.705 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.521 21.154 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN B 55 11.998 22.217 -2.477 1.00 0.00 H new ATOM 0 HG2 GLN B 55 9.868 21.460 -1.269 1.00 0.00 H new ATOM 0 HG3 GLN B 55 9.721 20.224 -2.503 1.00 0.00 H new ATOM 0 HE21 GLN B 55 12.613 19.888 -2.873 1.00 0.00 H new ATOM 0 HE22 GLN B 55 13.194 19.011 -1.454 1.00 0.00 H new ATOM 2073 N LEU B 56 8.498 21.622 -4.687 1.00 0.00 N ATOM 2074 CA LEU B 56 7.747 21.052 -5.822 1.00 0.00 C ATOM 2075 C LEU B 56 8.426 19.779 -6.356 1.00 0.00 C ATOM 2076 O LEU B 56 8.528 19.574 -7.562 1.00 0.00 O ATOM 2077 CB LEU B 56 7.560 22.087 -6.951 1.00 0.00 C ATOM 2078 CG LEU B 56 6.661 21.658 -8.115 1.00 0.00 C ATOM 2079 CD1 LEU B 56 5.209 21.588 -7.676 1.00 0.00 C ATOM 2080 CD2 LEU B 56 6.823 22.608 -9.288 1.00 0.00 C ATOM 0 H LEU B 56 8.122 21.358 -3.776 1.00 0.00 H new ATOM 0 HA LEU B 56 6.759 20.778 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.148 22.998 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.542 22.340 -7.351 1.00 0.00 H new ATOM 0 HG LEU B 56 6.965 20.662 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU B 56 4.589 21.282 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU B 56 5.108 20.863 -6.868 1.00 0.00 H new ATOM 0 HD13 LEU B 56 4.887 22.569 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU B 56 6.178 22.289 -10.106 1.00 0.00 H new ATOM 0 HD22 LEU B 56 6.547 23.617 -8.980 1.00 0.00 H new ATOM 0 HD23 LEU B 56 7.861 22.601 -9.621 1.00 0.00 H new ATOM 2092 N GLY B 57 8.885 18.926 -5.451 1.00 0.00 N ATOM 2093 CA GLY B 57 9.398 17.620 -5.846 1.00 0.00 C ATOM 2094 C GLY B 57 10.907 17.583 -6.024 1.00 0.00 C ATOM 2095 O GLY B 57 11.522 16.513 -5.978 1.00 0.00 O ATOM 0 H GLY B 57 8.913 19.111 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY B 57 9.112 16.885 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY B 57 8.924 17.321 -6.781 1.00 0.00 H new ATOM 2099 N PHE B 58 11.503 18.744 -6.222 1.00 0.00 N ATOM 2100 CA PHE B 58 12.925 18.826 -6.531 1.00 0.00 C ATOM 2101 C PHE B 58 13.772 18.882 -5.265 1.00 0.00 C ATOM 2102 O PHE B 58 13.788 19.904 -4.572 1.00 0.00 O ATOM 2103 CB PHE B 58 13.212 20.071 -7.374 1.00 0.00 C ATOM 2104 CG PHE B 58 12.346 20.211 -8.592 1.00 0.00 C ATOM 2105 CD1 PHE B 58 12.726 19.649 -9.800 1.00 0.00 C ATOM 2106 CD2 PHE B 58 11.160 20.922 -8.530 1.00 0.00 C ATOM 2107 CE1 PHE B 58 11.934 19.791 -10.923 1.00 0.00 C ATOM 2108 CE2 PHE B 58 10.365 21.068 -9.650 1.00 0.00 C ATOM 2109 CZ PHE B 58 10.752 20.502 -10.848 1.00 0.00 C ATOM 0 H PHE B 58 11.028 19.645 -6.175 1.00 0.00 H new ATOM 0 HA PHE B 58 13.188 17.927 -7.088 1.00 0.00 H new ATOM 0 HB2 PHE B 58 13.084 20.955 -6.749 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.256 20.050 -7.686 1.00 0.00 H new ATOM 0 HD1 PHE B 58 13.650 19.094 -9.864 1.00 0.00 H new ATOM 0 HD2 PHE B 58 10.853 21.368 -7.595 1.00 0.00 H new ATOM 0 HE1 PHE B 58 12.239 19.346 -11.859 1.00 0.00 H new ATOM 0 HE2 PHE B 58 9.441 21.624 -9.588 1.00 0.00 H new ATOM 0 HZ PHE B 58 10.132 20.615 -11.725 1.00 0.00 H new ATOM 2119 N GLU B 59 14.469 17.795 -4.951 1.00 0.00 N ATOM 2120 CA GLU B 59 15.451 17.828 -3.870 1.00 0.00 C ATOM 2121 C GLU B 59 16.862 17.935 -4.429 1.00 0.00 C ATOM 2122 O GLU B 59 17.437 16.955 -4.893 1.00 0.00 O ATOM 2123 CB GLU B 59 15.327 16.601 -2.968 1.00 0.00 C ATOM 2124 CG GLU B 59 14.437 16.828 -1.755 1.00 0.00 C ATOM 2125 CD GLU B 59 15.039 17.800 -0.763 1.00 0.00 C ATOM 2126 OE1 GLU B 59 15.022 19.022 -1.029 1.00 0.00 O ATOM 2127 OE2 GLU B 59 15.548 17.349 0.277 1.00 0.00 O ATOM 0 H GLU B 59 14.376 16.894 -5.420 1.00 0.00 H new ATOM 0 HA GLU B 59 15.247 18.712 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU B 59 14.929 15.770 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.320 16.306 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU B 59 13.469 17.205 -2.085 1.00 0.00 H new ATOM 0 HG3 GLU B 59 14.256 15.875 -1.259 1.00 0.00 H new ATOM 2134 N PHE B 60 17.424 19.133 -4.378 1.00 0.00 N ATOM 2135 CA PHE B 60 18.765 19.373 -4.894 1.00 0.00 C ATOM 2136 C PHE B 60 19.803 19.140 -3.806 1.00 0.00 C ATOM 2137 O PHE B 60 19.735 19.746 -2.735 1.00 0.00 O ATOM 2138 CB PHE B 60 18.894 20.802 -5.430 1.00 0.00 C ATOM 2139 CG PHE B 60 18.018 21.096 -6.614 1.00 0.00 C ATOM 2140 CD1 PHE B 60 18.385 20.675 -7.881 1.00 0.00 C ATOM 2141 CD2 PHE B 60 16.838 21.802 -6.461 1.00 0.00 C ATOM 2142 CE1 PHE B 60 17.590 20.952 -8.976 1.00 0.00 C ATOM 2143 CE2 PHE B 60 16.037 22.083 -7.550 1.00 0.00 C ATOM 2144 CZ PHE B 60 16.414 21.656 -8.810 1.00 0.00 C ATOM 0 H PHE B 60 16.971 19.957 -3.983 1.00 0.00 H new ATOM 0 HA PHE B 60 18.940 18.674 -5.712 1.00 0.00 H new ATOM 0 HB2 PHE B 60 18.652 21.502 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.933 20.982 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE B 60 19.304 20.123 -8.015 1.00 0.00 H new ATOM 0 HD2 PHE B 60 16.540 22.137 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE B 60 17.887 20.619 -9.959 1.00 0.00 H new ATOM 0 HE2 PHE B 60 15.118 22.635 -7.418 1.00 0.00 H new ATOM 0 HZ PHE B 60 15.789 21.873 -9.664 1.00 0.00 H new ATOM 2154 N LYS B 61 20.744 18.246 -4.069 1.00 0.00 N ATOM 2155 CA LYS B 61 21.825 17.982 -3.130 1.00 0.00 C ATOM 2156 C LYS B 61 23.182 18.104 -3.811 1.00 0.00 C ATOM 2157 O LYS B 61 23.784 17.106 -4.206 1.00 0.00 O ATOM 2158 CB LYS B 61 21.698 16.594 -2.493 1.00 0.00 C ATOM 2159 CG LYS B 61 20.777 16.528 -1.285 1.00 0.00 C ATOM 2160 CD LYS B 61 19.311 16.537 -1.676 1.00 0.00 C ATOM 2161 CE LYS B 61 18.419 16.488 -0.448 1.00 0.00 C ATOM 2162 NZ LYS B 61 18.539 17.717 0.382 1.00 0.00 N ATOM 0 H LYS B 61 20.782 17.691 -4.924 1.00 0.00 H new ATOM 0 HA LYS B 61 21.749 18.732 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS B 61 21.335 15.896 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.690 16.255 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS B 61 20.993 15.624 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS B 61 20.981 17.374 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS B 61 19.091 17.435 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS B 61 19.097 15.683 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS B 61 17.382 16.361 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS B 61 18.680 15.618 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 17.590 18.050 0.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 19.085 17.504 1.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 19.026 18.457 -0.162 1.00 0.00 H new ATOM 2176 N ASN B 62 23.644 19.330 -3.975 1.00 0.00 N ATOM 2177 CA ASN B 62 24.974 19.559 -4.511 1.00 0.00 C ATOM 2178 C ASN B 62 25.993 19.245 -3.428 1.00 0.00 C ATOM 2179 O ASN B 62 25.638 19.184 -2.248 1.00 0.00 O ATOM 2180 CB ASN B 62 25.134 21.003 -5.001 1.00 0.00 C ATOM 2181 CG ASN B 62 24.162 21.363 -6.115 1.00 0.00 C ATOM 2182 OD1 ASN B 62 24.434 21.135 -7.296 1.00 0.00 O ATOM 2183 ND2 ASN B 62 23.029 21.951 -5.752 1.00 0.00 N ATOM 0 H ASN B 62 23.123 20.177 -3.747 1.00 0.00 H new ATOM 0 HA ASN B 62 25.133 18.908 -5.370 1.00 0.00 H new ATOM 0 HB2 ASN B 62 24.986 21.684 -4.163 1.00 0.00 H new ATOM 0 HB3 ASN B 62 26.154 21.150 -5.355 1.00 0.00 H new ATOM 0 HD21 ASN B 62 22.350 22.230 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN B 62 22.838 22.124 -4.765 1.00 0.00 H new ATOM 2190 N ALA B 63 27.247 19.049 -3.813 1.00 0.00 N ATOM 2191 CA ALA B 63 28.287 18.670 -2.861 1.00 0.00 C ATOM 2192 C ALA B 63 28.425 19.703 -1.750 1.00 0.00 C ATOM 2193 O ALA B 63 28.695 19.352 -0.600 1.00 0.00 O ATOM 2194 CB ALA B 63 29.623 18.482 -3.564 1.00 0.00 C ATOM 0 H ALA B 63 27.570 19.146 -4.776 1.00 0.00 H new ATOM 0 HA ALA B 63 27.988 17.722 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA B 63 30.382 18.200 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA B 63 29.532 17.697 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA B 63 29.914 19.414 -4.048 1.00 0.00 H new ATOM 2200 N GLN B 64 28.254 20.977 -2.117 1.00 0.00 N ATOM 2201 CA GLN B 64 28.374 22.113 -1.189 1.00 0.00 C ATOM 2202 C GLN B 64 29.812 22.312 -0.711 1.00 0.00 C ATOM 2203 O GLN B 64 30.146 23.348 -0.135 1.00 0.00 O ATOM 2204 CB GLN B 64 27.441 21.956 0.020 1.00 0.00 C ATOM 2205 CG GLN B 64 25.961 21.972 -0.329 1.00 0.00 C ATOM 2206 CD GLN B 64 25.555 23.191 -1.133 1.00 0.00 C ATOM 2207 OE1 GLN B 64 25.548 23.166 -2.363 1.00 0.00 O ATOM 2208 NE2 GLN B 64 25.236 24.275 -0.447 1.00 0.00 N ATOM 0 H GLN B 64 28.027 21.254 -3.072 1.00 0.00 H new ATOM 0 HA GLN B 64 28.074 22.999 -1.749 1.00 0.00 H new ATOM 0 HB2 GLN B 64 27.674 21.019 0.525 1.00 0.00 H new ATOM 0 HB3 GLN B 64 27.645 22.759 0.729 1.00 0.00 H new ATOM 0 HG2 GLN B 64 25.717 21.073 -0.895 1.00 0.00 H new ATOM 0 HG3 GLN B 64 25.376 21.939 0.590 1.00 0.00 H new ATOM 0 HE21 GLN B 64 25.254 24.257 0.573 1.00 0.00 H new ATOM 0 HE22 GLN B 64 24.972 25.130 -0.937 1.00 0.00 H new ATOM 2217 N LEU B 65 30.657 21.323 -0.951 1.00 0.00 N ATOM 2218 CA LEU B 65 32.056 21.401 -0.586 1.00 0.00 C ATOM 2219 C LEU B 65 32.841 22.087 -1.695 1.00 0.00 C ATOM 2220 O LEU B 65 33.316 21.439 -2.629 1.00 0.00 O ATOM 2221 CB LEU B 65 32.618 19.998 -0.322 1.00 0.00 C ATOM 2222 CG LEU B 65 34.069 19.953 0.160 1.00 0.00 C ATOM 2223 CD1 LEU B 65 34.202 20.656 1.500 1.00 0.00 C ATOM 2224 CD2 LEU B 65 34.552 18.515 0.261 1.00 0.00 C ATOM 0 H LEU B 65 30.391 20.448 -1.403 1.00 0.00 H new ATOM 0 HA LEU B 65 32.151 21.986 0.329 1.00 0.00 H new ATOM 0 HB2 LEU B 65 31.990 19.508 0.422 1.00 0.00 H new ATOM 0 HB3 LEU B 65 32.539 19.415 -1.240 1.00 0.00 H new ATOM 0 HG LEU B 65 34.692 20.474 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU B 65 35.240 20.616 1.830 1.00 0.00 H new ATOM 0 HD12 LEU B 65 33.894 21.696 1.397 1.00 0.00 H new ATOM 0 HD13 LEU B 65 33.568 20.161 2.235 1.00 0.00 H new ATOM 0 HD21 LEU B 65 35.586 18.502 0.605 1.00 0.00 H new ATOM 0 HD22 LEU B 65 33.927 17.970 0.969 1.00 0.00 H new ATOM 0 HD23 LEU B 65 34.490 18.041 -0.718 1.00 0.00 H new