USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 589 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 33 MET CE :methyl -131:sc= -4.31! (180deg=-7.54!) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 30 THR OG1 : rot -12:sc= -0.132 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.68 K(o=-2.7,f=-7.1!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0272 F(o=-0.57,f=-0.027) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-6.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.03! C(o=-2!,f=-7.4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -150:sc= 0.367 USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= -0.036 (180deg=-0.314) USER MOD Single : A 89 ASN : amide:sc= -0.311 K(o=-0.31,f=-0.88) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -13.986 4.050 -19.547 1.00 61.42 N ATOM 360 CA PHE A 22 -14.035 4.571 -20.908 1.00 61.53 C ATOM 361 C PHE A 22 -12.665 4.479 -21.575 1.00 55.23 C ATOM 362 O PHE A 22 -12.515 3.857 -22.628 1.00 10.51 O ATOM 363 CB PHE A 22 -14.517 6.023 -20.904 1.00 62.32 C ATOM 364 CG PHE A 22 -14.742 6.584 -22.279 1.00 60.53 C ATOM 365 CD1 PHE A 22 -15.729 6.063 -23.101 1.00 1.11 C ATOM 366 CD2 PHE A 22 -13.967 7.631 -22.750 1.00 12.30 C ATOM 367 CE1 PHE A 22 -15.937 6.577 -24.367 1.00 35.11 C ATOM 368 CE2 PHE A 22 -14.172 8.149 -24.015 1.00 45.50 C ATOM 369 CZ PHE A 22 -15.159 7.622 -24.824 1.00 42.11 C ATOM 0 HA PHE A 22 -14.738 3.964 -21.478 1.00 61.53 H new ATOM 0 HB2 PHE A 22 -15.446 6.087 -20.338 1.00 62.32 H new ATOM 0 HB3 PHE A 22 -13.783 6.639 -20.384 1.00 62.32 H new ATOM 0 HD1 PHE A 22 -16.342 5.247 -22.748 1.00 1.11 H new ATOM 0 HD2 PHE A 22 -13.194 8.047 -22.122 1.00 12.30 H new ATOM 0 HE1 PHE A 22 -16.708 6.161 -24.999 1.00 35.11 H new ATOM 0 HE2 PHE A 22 -13.561 8.965 -24.370 1.00 45.50 H new ATOM 0 HZ PHE A 22 -15.322 8.026 -25.812 1.00 42.11 H new ATOM 379 N LEU A 23 -11.670 5.103 -20.956 1.00 2.32 N ATOM 380 CA LEU A 23 -10.312 5.094 -21.488 1.00 63.25 C ATOM 381 C LEU A 23 -9.683 3.711 -21.352 1.00 71.34 C ATOM 382 O LEU A 23 -8.874 3.302 -22.185 1.00 34.01 O ATOM 383 CB LEU A 23 -9.452 6.131 -20.764 1.00 65.13 C ATOM 384 CG LEU A 23 -9.923 7.582 -20.864 1.00 75.01 C ATOM 385 CD1 LEU A 23 -10.488 7.866 -22.247 1.00 60.34 C ATOM 386 CD2 LEU A 23 -10.961 7.880 -19.791 1.00 43.43 C ATOM 0 H LEU A 23 -11.778 5.622 -20.085 1.00 2.32 H new ATOM 0 HA LEU A 23 -10.362 5.348 -22.547 1.00 63.25 H new ATOM 0 HB2 LEU A 23 -9.401 5.859 -19.710 1.00 65.13 H new ATOM 0 HB3 LEU A 23 -8.438 6.071 -21.158 1.00 65.13 H new ATOM 0 HG LEU A 23 -9.065 8.235 -20.704 1.00 75.01 H new ATOM 0 HD11 LEU A 23 -10.818 8.904 -22.299 1.00 60.34 H new ATOM 0 HD12 LEU A 23 -9.717 7.692 -22.998 1.00 60.34 H new ATOM 0 HD13 LEU A 23 -11.334 7.206 -22.437 1.00 60.34 H new ATOM 0 HD21 LEU A 23 -11.285 8.917 -19.877 1.00 43.43 H new ATOM 0 HD22 LEU A 23 -11.818 7.220 -19.921 1.00 43.43 H new ATOM 0 HD23 LEU A 23 -10.523 7.717 -18.806 1.00 43.43 H new ATOM 398 N GLU A 24 -10.063 2.995 -20.298 1.00 65.25 N ATOM 399 CA GLU A 24 -9.536 1.657 -20.055 1.00 73.22 C ATOM 400 C GLU A 24 -10.067 0.667 -21.088 1.00 53.23 C ATOM 401 O GLU A 24 -9.601 -0.468 -21.173 1.00 72.22 O ATOM 402 CB GLU A 24 -9.906 1.188 -18.646 1.00 61.34 C ATOM 403 CG GLU A 24 -8.763 1.292 -17.651 1.00 1.03 C ATOM 404 CD GLU A 24 -9.225 1.738 -16.277 1.00 22.41 C ATOM 405 OE1 GLU A 24 -9.368 2.961 -16.068 1.00 33.42 O ATOM 406 OE2 GLU A 24 -9.442 0.864 -15.411 1.00 54.43 O ATOM 0 H GLU A 24 -10.733 3.318 -19.600 1.00 65.25 H new ATOM 0 HA GLU A 24 -8.450 1.700 -20.143 1.00 73.22 H new ATOM 0 HB2 GLU A 24 -10.747 1.780 -18.284 1.00 61.34 H new ATOM 0 HB3 GLU A 24 -10.242 0.152 -18.693 1.00 61.34 H new ATOM 0 HG2 GLU A 24 -8.269 0.324 -17.568 1.00 1.03 H new ATOM 0 HG3 GLU A 24 -8.021 1.997 -18.027 1.00 1.03 H new ATOM 413 N GLY A 25 -11.047 1.107 -21.872 1.00 40.42 N ATOM 414 CA GLY A 25 -11.626 0.249 -22.889 1.00 33.23 C ATOM 415 C GLY A 25 -10.796 0.209 -24.156 1.00 51.53 C ATOM 416 O GLY A 25 -10.996 -0.653 -25.011 1.00 70.45 O ATOM 0 H GLY A 25 -11.450 2.043 -21.821 1.00 40.42 H new ATOM 0 HA2 GLY A 25 -11.727 -0.761 -22.493 1.00 33.23 H new ATOM 0 HA3 GLY A 25 -12.630 0.600 -23.127 1.00 33.23 H new ATOM 420 N PHE A 26 -9.862 1.147 -24.280 1.00 14.04 N ATOM 421 CA PHE A 26 -9.000 1.218 -25.454 1.00 35.23 C ATOM 422 C PHE A 26 -7.563 0.853 -25.096 1.00 3.13 C ATOM 423 O PHE A 26 -7.149 0.975 -23.944 1.00 22.13 O ATOM 424 CB PHE A 26 -9.046 2.621 -26.062 1.00 72.03 C ATOM 425 CG PHE A 26 -10.438 3.164 -26.214 1.00 35.51 C ATOM 426 CD1 PHE A 26 -11.225 2.797 -27.294 1.00 35.44 C ATOM 427 CD2 PHE A 26 -10.960 4.041 -25.277 1.00 51.00 C ATOM 428 CE1 PHE A 26 -12.507 3.294 -27.436 1.00 33.30 C ATOM 429 CE2 PHE A 26 -12.241 4.541 -25.414 1.00 12.01 C ATOM 430 CZ PHE A 26 -13.015 4.168 -26.495 1.00 73.03 C ATOM 0 H PHE A 26 -9.683 1.868 -23.581 1.00 14.04 H new ATOM 0 HA PHE A 26 -9.366 0.500 -26.187 1.00 35.23 H new ATOM 0 HB2 PHE A 26 -8.467 3.299 -25.435 1.00 72.03 H new ATOM 0 HB3 PHE A 26 -8.564 2.601 -27.039 1.00 72.03 H new ATOM 0 HD1 PHE A 26 -10.832 2.115 -28.033 1.00 35.44 H new ATOM 0 HD2 PHE A 26 -10.359 4.337 -24.430 1.00 51.00 H new ATOM 0 HE1 PHE A 26 -13.111 2.999 -28.282 1.00 33.30 H new ATOM 0 HE2 PHE A 26 -12.637 5.223 -24.676 1.00 12.01 H new ATOM 0 HZ PHE A 26 -14.016 4.559 -26.604 1.00 73.03 H new ATOM 440 N ASN A 27 -6.807 0.404 -26.092 1.00 43.45 N ATOM 441 CA ASN A 27 -5.415 0.020 -25.883 1.00 54.34 C ATOM 442 C ASN A 27 -4.623 1.165 -25.260 1.00 2.20 C ATOM 443 O ASN A 27 -4.987 2.333 -25.399 1.00 44.33 O ATOM 444 CB ASN A 27 -4.775 -0.396 -27.209 1.00 43.21 C ATOM 445 CG ASN A 27 -5.069 -1.840 -27.565 1.00 71.13 C ATOM 446 OD1 ASN A 27 -6.218 -2.280 -27.522 1.00 52.15 O ATOM 447 ND2 ASN A 27 -4.029 -2.586 -27.919 1.00 42.12 N ATOM 0 H ASN A 27 -7.134 0.297 -27.052 1.00 43.45 H new ATOM 0 HA ASN A 27 -5.396 -0.827 -25.197 1.00 54.34 H new ATOM 0 HB2 ASN A 27 -5.140 0.253 -28.005 1.00 43.21 H new ATOM 0 HB3 ASN A 27 -3.696 -0.252 -27.150 1.00 43.21 H new ATOM 0 HD21 ASN A 27 -4.165 -3.565 -28.169 1.00 42.12 H new ATOM 0 HD22 ASN A 27 -3.094 -2.180 -27.941 1.00 42.12 H new ATOM 454 N ILE A 28 -3.538 0.822 -24.573 1.00 74.32 N ATOM 455 CA ILE A 28 -2.694 1.820 -23.930 1.00 42.52 C ATOM 456 C ILE A 28 -1.688 2.406 -24.915 1.00 65.22 C ATOM 457 O ILE A 28 -1.204 3.523 -24.733 1.00 74.22 O ATOM 458 CB ILE A 28 -1.934 1.226 -22.730 1.00 1.55 C ATOM 459 CG1 ILE A 28 -1.178 2.327 -21.982 1.00 21.43 C ATOM 460 CG2 ILE A 28 -0.976 0.140 -23.194 1.00 60.30 C ATOM 461 CD1 ILE A 28 -2.077 3.415 -21.438 1.00 44.35 C ATOM 0 H ILE A 28 -3.223 -0.140 -24.448 1.00 74.32 H new ATOM 0 HA ILE A 28 -3.355 2.611 -23.575 1.00 42.52 H new ATOM 0 HB ILE A 28 -2.656 0.778 -22.047 1.00 1.55 H new ATOM 0 HG12 ILE A 28 -0.623 1.880 -21.158 1.00 21.43 H new ATOM 0 HG13 ILE A 28 -0.445 2.774 -22.654 1.00 21.43 H new ATOM 0 HG21 ILE A 28 -0.446 -0.270 -22.334 1.00 60.30 H new ATOM 0 HG22 ILE A 28 -1.537 -0.654 -23.687 1.00 60.30 H new ATOM 0 HG23 ILE A 28 -0.257 0.564 -23.894 1.00 60.30 H new ATOM 0 HD11 ILE A 28 -1.474 4.161 -20.920 1.00 44.35 H new ATOM 0 HD12 ILE A 28 -2.613 3.889 -22.260 1.00 44.35 H new ATOM 0 HD13 ILE A 28 -2.793 2.980 -20.741 1.00 44.35 H new ATOM 473 N GLU A 29 -1.378 1.644 -25.960 1.00 21.14 N ATOM 474 CA GLU A 29 -0.430 2.088 -26.974 1.00 44.32 C ATOM 475 C GLU A 29 -1.103 3.022 -27.976 1.00 64.23 C ATOM 476 O GLU A 29 -0.449 3.861 -28.597 1.00 72.14 O ATOM 477 CB GLU A 29 0.171 0.885 -27.705 1.00 12.42 C ATOM 478 CG GLU A 29 -0.868 -0.008 -28.361 1.00 62.53 C ATOM 479 CD GLU A 29 -0.290 -0.845 -29.487 1.00 11.24 C ATOM 480 OE1 GLU A 29 0.928 -0.738 -29.741 1.00 33.31 O ATOM 481 OE2 GLU A 29 -1.057 -1.606 -30.113 1.00 21.43 O ATOM 0 H GLU A 29 -1.770 0.717 -26.126 1.00 21.14 H new ATOM 0 HA GLU A 29 0.369 2.635 -26.473 1.00 44.32 H new ATOM 0 HB2 GLU A 29 0.864 1.242 -28.467 1.00 12.42 H new ATOM 0 HB3 GLU A 29 0.752 0.293 -26.997 1.00 12.42 H new ATOM 0 HG2 GLU A 29 -1.302 -0.667 -27.609 1.00 62.53 H new ATOM 0 HG3 GLU A 29 -1.678 0.609 -28.750 1.00 62.53 H new ATOM 488 N THR A 30 -2.414 2.869 -28.130 1.00 15.44 N ATOM 489 CA THR A 30 -3.177 3.696 -29.057 1.00 2.24 C ATOM 490 C THR A 30 -3.191 5.154 -28.610 1.00 22.52 C ATOM 491 O THR A 30 -3.462 6.054 -29.404 1.00 52.21 O ATOM 492 CB THR A 30 -4.628 3.198 -29.190 1.00 52.14 C ATOM 493 OG1 THR A 30 -5.209 3.026 -27.893 1.00 2.33 O ATOM 494 CG2 THR A 30 -4.681 1.883 -29.953 1.00 61.12 C ATOM 0 H THR A 30 -2.970 2.180 -27.624 1.00 15.44 H new ATOM 0 HA THR A 30 -2.684 3.621 -30.026 1.00 2.24 H new ATOM 0 HB THR A 30 -5.195 3.945 -29.745 1.00 52.14 H new ATOM 0 HG1 THR A 30 -4.507 3.078 -27.211 1.00 2.33 H new ATOM 0 HG21 THR A 30 -5.716 1.551 -30.034 1.00 61.12 H new ATOM 0 HG22 THR A 30 -4.266 2.024 -30.951 1.00 61.12 H new ATOM 0 HG23 THR A 30 -4.099 1.130 -29.421 1.00 61.12 H new ATOM 502 N PHE A 31 -2.896 5.379 -27.334 1.00 12.23 N ATOM 503 CA PHE A 31 -2.875 6.728 -26.781 1.00 53.50 C ATOM 504 C PHE A 31 -1.555 7.426 -27.098 1.00 34.41 C ATOM 505 O PHE A 31 -0.533 6.774 -27.306 1.00 44.25 O ATOM 506 CB PHE A 31 -3.092 6.686 -25.267 1.00 22.41 C ATOM 507 CG PHE A 31 -4.389 6.043 -24.865 1.00 4.42 C ATOM 508 CD1 PHE A 31 -5.534 6.231 -25.622 1.00 21.13 C ATOM 509 CD2 PHE A 31 -4.462 5.253 -23.729 1.00 74.44 C ATOM 510 CE1 PHE A 31 -6.729 5.641 -25.255 1.00 2.04 C ATOM 511 CE2 PHE A 31 -5.654 4.660 -23.358 1.00 34.13 C ATOM 512 CZ PHE A 31 -6.789 4.855 -24.120 1.00 52.34 C ATOM 0 H PHE A 31 -2.668 4.645 -26.664 1.00 12.23 H new ATOM 0 HA PHE A 31 -3.685 7.294 -27.241 1.00 53.50 H new ATOM 0 HB2 PHE A 31 -2.268 6.143 -24.805 1.00 22.41 H new ATOM 0 HB3 PHE A 31 -3.063 7.703 -24.875 1.00 22.41 H new ATOM 0 HD1 PHE A 31 -5.492 6.846 -26.509 1.00 21.13 H new ATOM 0 HD2 PHE A 31 -3.578 5.099 -23.127 1.00 74.44 H new ATOM 0 HE1 PHE A 31 -7.614 5.794 -25.854 1.00 2.04 H new ATOM 0 HE2 PHE A 31 -5.698 4.044 -22.472 1.00 34.13 H new ATOM 0 HZ PHE A 31 -7.722 4.394 -23.830 1.00 52.34 H new ATOM 522 N GLU A 32 -1.588 8.754 -27.132 1.00 51.14 N ATOM 523 CA GLU A 32 -0.395 9.540 -27.425 1.00 61.52 C ATOM 524 C GLU A 32 -0.300 10.750 -26.501 1.00 51.21 C ATOM 525 O GLU A 32 -1.260 11.505 -26.349 1.00 73.31 O ATOM 526 CB GLU A 32 -0.405 9.998 -28.885 1.00 64.10 C ATOM 527 CG GLU A 32 -0.462 8.853 -29.882 1.00 73.12 C ATOM 528 CD GLU A 32 0.723 8.843 -30.828 1.00 74.13 C ATOM 529 OE1 GLU A 32 1.868 8.967 -30.345 1.00 73.41 O ATOM 530 OE2 GLU A 32 0.505 8.712 -32.051 1.00 24.22 O ATOM 0 H GLU A 32 -2.427 9.308 -26.960 1.00 51.14 H new ATOM 0 HA GLU A 32 0.476 8.907 -27.256 1.00 61.52 H new ATOM 0 HB2 GLU A 32 -1.262 10.652 -29.046 1.00 64.10 H new ATOM 0 HB3 GLU A 32 0.489 10.591 -29.077 1.00 64.10 H new ATOM 0 HG2 GLU A 32 -0.498 7.907 -29.341 1.00 73.12 H new ATOM 0 HG3 GLU A 32 -1.383 8.925 -30.460 1.00 73.12 H new ATOM 537 N MET A 33 0.865 10.928 -25.886 1.00 74.11 N ATOM 538 CA MET A 33 1.085 12.047 -24.977 1.00 65.13 C ATOM 539 C MET A 33 0.733 13.370 -25.649 1.00 15.34 C ATOM 540 O MET A 33 1.193 13.660 -26.753 1.00 60.21 O ATOM 541 CB MET A 33 2.542 12.072 -24.509 1.00 73.51 C ATOM 542 CG MET A 33 2.848 13.198 -23.536 1.00 21.05 C ATOM 543 SD MET A 33 4.605 13.598 -23.466 1.00 71.33 S ATOM 544 CE MET A 33 4.658 14.638 -22.010 1.00 3.45 C ATOM 0 H MET A 33 1.670 10.312 -26.000 1.00 74.11 H new ATOM 0 HA MET A 33 0.435 11.914 -24.112 1.00 65.13 H new ATOM 0 HB2 MET A 33 2.779 11.119 -24.036 1.00 73.51 H new ATOM 0 HB3 MET A 33 3.193 12.167 -25.378 1.00 73.51 H new ATOM 0 HG2 MET A 33 2.288 14.087 -23.827 1.00 21.05 H new ATOM 0 HG3 MET A 33 2.504 12.917 -22.541 1.00 21.05 H new ATOM 0 HE1 MET A 33 5.209 15.551 -22.235 1.00 3.45 H new ATOM 0 HE2 MET A 33 3.642 14.892 -21.707 1.00 3.45 H new ATOM 0 HE3 MET A 33 5.155 14.105 -21.200 1.00 3.45 H new ATOM 554 N VAL A 34 -0.088 14.171 -24.975 1.00 24.52 N ATOM 555 CA VAL A 34 -0.502 15.464 -25.506 1.00 65.30 C ATOM 556 C VAL A 34 0.129 16.608 -24.720 1.00 62.14 C ATOM 557 O VAL A 34 0.279 17.717 -25.231 1.00 61.02 O ATOM 558 CB VAL A 34 -2.034 15.618 -25.476 1.00 43.31 C ATOM 559 CG1 VAL A 34 -2.553 15.516 -24.050 1.00 51.51 C ATOM 560 CG2 VAL A 34 -2.448 16.937 -26.110 1.00 51.53 C ATOM 0 H VAL A 34 -0.479 13.946 -24.060 1.00 24.52 H new ATOM 0 HA VAL A 34 -0.160 15.506 -26.540 1.00 65.30 H new ATOM 0 HB VAL A 34 -2.475 14.808 -26.056 1.00 43.31 H new ATOM 0 HG11 VAL A 34 -3.637 15.627 -24.049 1.00 51.51 H new ATOM 0 HG12 VAL A 34 -2.287 14.544 -23.635 1.00 51.51 H new ATOM 0 HG13 VAL A 34 -2.107 16.304 -23.443 1.00 51.51 H new ATOM 0 HG21 VAL A 34 -3.534 17.030 -26.081 1.00 51.53 H new ATOM 0 HG22 VAL A 34 -1.998 17.763 -25.559 1.00 51.53 H new ATOM 0 HG23 VAL A 34 -2.109 16.965 -27.146 1.00 51.53 H new ATOM 570 N GLY A 35 0.498 16.330 -23.474 1.00 21.15 N ATOM 571 CA GLY A 35 1.109 17.346 -22.637 1.00 1.03 C ATOM 572 C GLY A 35 1.388 16.850 -21.232 1.00 31.51 C ATOM 573 O GLY A 35 1.087 15.703 -20.899 1.00 23.41 O ATOM 0 H GLY A 35 0.385 15.419 -23.029 1.00 21.15 H new ATOM 0 HA2 GLY A 35 2.042 17.676 -23.094 1.00 1.03 H new ATOM 0 HA3 GLY A 35 0.453 18.215 -22.588 1.00 1.03 H new ATOM 577 N THR A 36 1.966 17.714 -20.404 1.00 44.21 N ATOM 578 CA THR A 36 2.289 17.357 -19.028 1.00 73.35 C ATOM 579 C THR A 36 2.235 18.577 -18.116 1.00 71.13 C ATOM 580 O THR A 36 2.796 19.627 -18.433 1.00 24.43 O ATOM 581 CB THR A 36 3.686 16.715 -18.927 1.00 55.43 C ATOM 582 OG1 THR A 36 4.523 17.197 -19.984 1.00 63.31 O ATOM 583 CG2 THR A 36 3.591 15.199 -18.999 1.00 21.22 C ATOM 0 H THR A 36 2.220 18.667 -20.663 1.00 44.21 H new ATOM 0 HA THR A 36 1.541 16.633 -18.706 1.00 73.35 H new ATOM 0 HB THR A 36 4.120 16.990 -17.966 1.00 55.43 H new ATOM 0 HG1 THR A 36 5.410 16.786 -19.912 1.00 63.31 H new ATOM 0 HG21 THR A 36 4.589 14.768 -18.926 1.00 21.22 H new ATOM 0 HG22 THR A 36 2.977 14.833 -18.176 1.00 21.22 H new ATOM 0 HG23 THR A 36 3.139 14.907 -19.947 1.00 21.22 H new ATOM 591 N LEU A 37 1.557 18.433 -16.983 1.00 21.11 N ATOM 592 CA LEU A 37 1.431 19.524 -16.023 1.00 53.21 C ATOM 593 C LEU A 37 2.213 19.222 -14.749 1.00 33.12 C ATOM 594 O LEU A 37 2.401 18.061 -14.385 1.00 2.21 O ATOM 595 CB LEU A 37 -0.042 19.765 -15.686 1.00 42.33 C ATOM 596 CG LEU A 37 -0.326 20.875 -14.673 1.00 24.30 C ATOM 597 CD1 LEU A 37 -0.823 22.127 -15.378 1.00 11.12 C ATOM 598 CD2 LEU A 37 -1.338 20.405 -13.638 1.00 4.41 C ATOM 0 H LEU A 37 1.086 17.572 -16.706 1.00 21.11 H new ATOM 0 HA LEU A 37 1.846 20.424 -16.477 1.00 53.21 H new ATOM 0 HB2 LEU A 37 -0.572 19.999 -16.609 1.00 42.33 H new ATOM 0 HB3 LEU A 37 -0.463 18.835 -15.304 1.00 42.33 H new ATOM 0 HG LEU A 37 0.604 21.118 -14.159 1.00 24.30 H new ATOM 0 HD11 LEU A 37 -1.020 22.906 -14.641 1.00 11.12 H new ATOM 0 HD12 LEU A 37 -0.065 22.475 -16.080 1.00 11.12 H new ATOM 0 HD13 LEU A 37 -1.741 21.899 -15.919 1.00 11.12 H new ATOM 0 HD21 LEU A 37 -1.528 21.207 -12.925 1.00 4.41 H new ATOM 0 HD22 LEU A 37 -2.269 20.134 -14.136 1.00 4.41 H new ATOM 0 HD23 LEU A 37 -0.943 19.537 -13.110 1.00 4.41 H new ATOM 610 N SER A 38 2.664 20.274 -14.074 1.00 12.32 N ATOM 611 CA SER A 38 3.427 20.122 -12.841 1.00 32.35 C ATOM 612 C SER A 38 3.156 21.282 -11.887 1.00 65.14 C ATOM 613 O SER A 38 2.913 22.408 -12.317 1.00 54.52 O ATOM 614 CB SER A 38 4.923 20.038 -13.149 1.00 30.14 C ATOM 615 OG SER A 38 5.622 19.380 -12.106 1.00 43.22 O ATOM 0 H SER A 38 2.514 21.241 -14.360 1.00 12.32 H new ATOM 0 HA SER A 38 3.110 19.197 -12.359 1.00 32.35 H new ATOM 0 HB2 SER A 38 5.075 19.503 -14.087 1.00 30.14 H new ATOM 0 HB3 SER A 38 5.326 21.041 -13.285 1.00 30.14 H new ATOM 0 HG SER A 38 6.576 19.338 -12.327 1.00 43.22 H new ATOM 621 N ASN A 39 3.202 20.997 -10.590 1.00 72.51 N ATOM 622 CA ASN A 39 2.961 22.015 -9.575 1.00 4.35 C ATOM 623 C ASN A 39 3.138 21.439 -8.173 1.00 71.31 C ATOM 624 O ASN A 39 3.550 20.291 -8.011 1.00 21.43 O ATOM 625 CB ASN A 39 1.553 22.594 -9.726 1.00 42.04 C ATOM 626 CG ASN A 39 0.593 21.616 -10.376 1.00 1.12 C ATOM 627 OD1 ASN A 39 0.360 21.668 -11.583 1.00 74.54 O ATOM 628 ND2 ASN A 39 0.031 20.719 -9.574 1.00 61.45 N ATOM 0 H ASN A 39 3.404 20.069 -10.217 1.00 72.51 H new ATOM 0 HA ASN A 39 3.691 22.812 -9.716 1.00 4.35 H new ATOM 0 HB2 ASN A 39 1.172 22.876 -8.745 1.00 42.04 H new ATOM 0 HB3 ASN A 39 1.600 23.505 -10.323 1.00 42.04 H new ATOM 0 HD21 ASN A 39 -0.624 20.035 -9.953 1.00 61.45 H new ATOM 0 HD22 ASN A 39 0.254 20.714 -8.579 1.00 61.45 H new ATOM 635 N ALA A 40 2.822 22.244 -7.164 1.00 23.31 N ATOM 636 CA ALA A 40 2.943 21.813 -5.777 1.00 2.14 C ATOM 637 C ALA A 40 2.228 20.486 -5.549 1.00 61.45 C ATOM 638 O ALA A 40 2.695 19.643 -4.784 1.00 35.33 O ATOM 639 CB ALA A 40 2.390 22.879 -4.843 1.00 11.41 C ATOM 0 H ALA A 40 2.480 23.198 -7.281 1.00 23.31 H new ATOM 0 HA ALA A 40 4.001 21.667 -5.560 1.00 2.14 H new ATOM 0 HB1 ALA A 40 2.487 22.544 -3.810 1.00 11.41 H new ATOM 0 HB2 ALA A 40 2.948 23.806 -4.977 1.00 11.41 H new ATOM 0 HB3 ALA A 40 1.338 23.053 -5.071 1.00 11.41 H new ATOM 645 N GLN A 41 1.094 20.308 -6.219 1.00 71.41 N ATOM 646 CA GLN A 41 0.314 19.082 -6.088 1.00 42.42 C ATOM 647 C GLN A 41 1.112 17.875 -6.569 1.00 44.25 C ATOM 648 O GLN A 41 0.912 16.757 -6.097 1.00 13.31 O ATOM 649 CB GLN A 41 -0.990 19.195 -6.880 1.00 44.42 C ATOM 650 CG GLN A 41 -1.716 20.514 -6.671 1.00 13.13 C ATOM 651 CD GLN A 41 -1.946 20.828 -5.205 1.00 70.54 C ATOM 652 OE1 GLN A 41 -1.086 21.665 -4.637 1.00 2.55 O flip ATOM 653 NE2 GLN A 41 -2.886 20.322 -4.591 1.00 33.10 N flip ATOM 0 H GLN A 41 0.695 20.996 -6.857 1.00 71.41 H new ATOM 0 HA GLN A 41 0.079 18.942 -5.033 1.00 42.42 H new ATOM 0 HB2 GLN A 41 -0.773 19.074 -7.941 1.00 44.42 H new ATOM 0 HB3 GLN A 41 -1.651 18.377 -6.594 1.00 44.42 H new ATOM 0 HG2 GLN A 41 -1.137 21.319 -7.125 1.00 13.13 H new ATOM 0 HG3 GLN A 41 -2.676 20.482 -7.187 1.00 13.13 H new ATOM 0 HE21 GLN A 41 -3.522 19.684 -5.068 1.00 33.10 H new ATOM 0 HE22 GLN A 41 -3.028 20.541 -3.605 1.00 33.10 H new ATOM 662 N GLY A 42 2.019 18.109 -7.514 1.00 11.33 N ATOM 663 CA GLY A 42 2.833 17.031 -8.044 1.00 3.43 C ATOM 664 C GLY A 42 2.977 17.101 -9.551 1.00 62.21 C ATOM 665 O GLY A 42 2.763 18.152 -10.156 1.00 13.02 O ATOM 0 H GLY A 42 2.204 19.026 -7.921 1.00 11.33 H new ATOM 0 HA2 GLY A 42 3.821 17.067 -7.586 1.00 3.43 H new ATOM 0 HA3 GLY A 42 2.388 16.075 -7.769 1.00 3.43 H new ATOM 669 N THR A 43 3.343 15.978 -10.162 1.00 24.15 N ATOM 670 CA THR A 43 3.519 15.916 -11.607 1.00 31.00 C ATOM 671 C THR A 43 2.405 15.107 -12.262 1.00 23.22 C ATOM 672 O THR A 43 2.235 13.921 -11.976 1.00 42.43 O ATOM 673 CB THR A 43 4.878 15.295 -11.982 1.00 32.02 C ATOM 674 OG1 THR A 43 5.884 15.723 -11.057 1.00 33.42 O ATOM 675 CG2 THR A 43 5.281 15.688 -13.395 1.00 1.21 C ATOM 0 H THR A 43 3.523 15.099 -9.677 1.00 24.15 H new ATOM 0 HA THR A 43 3.484 16.942 -11.974 1.00 31.00 H new ATOM 0 HB THR A 43 4.782 14.210 -11.937 1.00 32.02 H new ATOM 0 HG1 THR A 43 6.745 15.323 -11.301 1.00 33.42 H new ATOM 0 HG21 THR A 43 6.244 15.238 -13.637 1.00 1.21 H new ATOM 0 HG22 THR A 43 4.528 15.335 -14.100 1.00 1.21 H new ATOM 0 HG23 THR A 43 5.361 16.773 -13.462 1.00 1.21 H new ATOM 683 N PHE A 44 1.649 15.754 -13.142 1.00 50.21 N ATOM 684 CA PHE A 44 0.551 15.094 -13.838 1.00 15.11 C ATOM 685 C PHE A 44 0.856 14.954 -15.326 1.00 73.34 C ATOM 686 O PHE A 44 1.535 15.795 -15.913 1.00 65.15 O ATOM 687 CB PHE A 44 -0.749 15.878 -13.644 1.00 2.50 C ATOM 688 CG PHE A 44 -1.087 16.130 -12.203 1.00 15.45 C ATOM 689 CD1 PHE A 44 -0.468 17.152 -11.500 1.00 31.51 C ATOM 690 CD2 PHE A 44 -2.025 15.347 -11.550 1.00 75.42 C ATOM 691 CE1 PHE A 44 -0.777 17.385 -10.173 1.00 74.23 C ATOM 692 CE2 PHE A 44 -2.339 15.575 -10.224 1.00 12.53 C ATOM 693 CZ PHE A 44 -1.715 16.597 -9.535 1.00 21.33 C ATOM 0 H PHE A 44 1.777 16.735 -13.390 1.00 50.21 H new ATOM 0 HA PHE A 44 0.433 14.097 -13.414 1.00 15.11 H new ATOM 0 HB2 PHE A 44 -0.669 16.833 -14.163 1.00 2.50 H new ATOM 0 HB3 PHE A 44 -1.568 15.330 -14.111 1.00 2.50 H new ATOM 0 HD1 PHE A 44 0.264 17.773 -11.995 1.00 31.51 H new ATOM 0 HD2 PHE A 44 -2.517 14.548 -12.084 1.00 75.42 H new ATOM 0 HE1 PHE A 44 -0.285 18.182 -9.636 1.00 74.23 H new ATOM 0 HE2 PHE A 44 -3.071 14.955 -9.727 1.00 12.53 H new ATOM 0 HZ PHE A 44 -1.960 16.780 -8.499 1.00 21.33 H new ATOM 703 N ALA A 45 0.348 13.884 -15.930 1.00 23.00 N ATOM 704 CA ALA A 45 0.565 13.633 -17.349 1.00 53.25 C ATOM 705 C ALA A 45 -0.742 13.729 -18.129 1.00 72.34 C ATOM 706 O ALA A 45 -1.766 13.182 -17.715 1.00 44.53 O ATOM 707 CB ALA A 45 1.204 12.268 -17.553 1.00 23.33 C ATOM 0 H ALA A 45 -0.217 13.178 -15.458 1.00 23.00 H new ATOM 0 HA ALA A 45 1.242 14.398 -17.728 1.00 53.25 H new ATOM 0 HB1 ALA A 45 1.360 12.095 -18.618 1.00 23.33 H new ATOM 0 HB2 ALA A 45 2.163 12.234 -17.036 1.00 23.33 H new ATOM 0 HB3 ALA A 45 0.548 11.496 -17.152 1.00 23.33 H new ATOM 713 N LEU A 46 -0.702 14.426 -19.259 1.00 43.13 N ATOM 714 CA LEU A 46 -1.884 14.594 -20.098 1.00 23.14 C ATOM 715 C LEU A 46 -1.739 13.820 -21.404 1.00 50.21 C ATOM 716 O LEU A 46 -0.840 14.089 -22.201 1.00 2.12 O ATOM 717 CB LEU A 46 -2.118 16.076 -20.393 1.00 5.52 C ATOM 718 CG LEU A 46 -1.834 17.043 -19.242 1.00 61.22 C ATOM 719 CD1 LEU A 46 -2.178 18.468 -19.645 1.00 43.33 C ATOM 720 CD2 LEU A 46 -2.612 16.636 -18.000 1.00 31.45 C ATOM 0 H LEU A 46 0.136 14.884 -19.616 1.00 43.13 H new ATOM 0 HA LEU A 46 -2.743 14.198 -19.556 1.00 23.14 H new ATOM 0 HB2 LEU A 46 -1.495 16.360 -21.241 1.00 5.52 H new ATOM 0 HB3 LEU A 46 -3.155 16.205 -20.702 1.00 5.52 H new ATOM 0 HG LEU A 46 -0.770 17.000 -19.011 1.00 61.22 H new ATOM 0 HD11 LEU A 46 -1.970 19.142 -18.814 1.00 43.33 H new ATOM 0 HD12 LEU A 46 -1.576 18.758 -20.507 1.00 43.33 H new ATOM 0 HD13 LEU A 46 -3.235 18.528 -19.904 1.00 43.33 H new ATOM 0 HD21 LEU A 46 -2.398 17.335 -17.191 1.00 31.45 H new ATOM 0 HD22 LEU A 46 -3.680 16.650 -18.219 1.00 31.45 H new ATOM 0 HD23 LEU A 46 -2.317 15.631 -17.699 1.00 31.45 H new ATOM 732 N VAL A 47 -2.632 12.859 -21.619 1.00 2.02 N ATOM 733 CA VAL A 47 -2.606 12.048 -22.830 1.00 41.23 C ATOM 734 C VAL A 47 -3.880 12.237 -23.645 1.00 53.34 C ATOM 735 O VAL A 47 -4.915 12.645 -23.116 1.00 44.03 O ATOM 736 CB VAL A 47 -2.437 10.553 -22.502 1.00 0.05 C ATOM 737 CG1 VAL A 47 -3.718 9.989 -21.905 1.00 4.32 C ATOM 738 CG2 VAL A 47 -2.032 9.777 -23.746 1.00 21.25 C ATOM 0 H VAL A 47 -3.383 12.623 -20.970 1.00 2.02 H new ATOM 0 HA VAL A 47 -1.750 12.382 -23.416 1.00 41.23 H new ATOM 0 HB VAL A 47 -1.643 10.449 -21.762 1.00 0.05 H new ATOM 0 HG11 VAL A 47 -3.580 8.932 -21.680 1.00 4.32 H new ATOM 0 HG12 VAL A 47 -3.960 10.527 -20.988 1.00 4.32 H new ATOM 0 HG13 VAL A 47 -4.534 10.104 -22.619 1.00 4.32 H new ATOM 0 HG21 VAL A 47 -1.917 8.722 -23.496 1.00 21.25 H new ATOM 0 HG22 VAL A 47 -2.802 9.887 -24.510 1.00 21.25 H new ATOM 0 HG23 VAL A 47 -1.087 10.165 -24.125 1.00 21.25 H new ATOM 748 N LYS A 48 -3.800 11.938 -24.937 1.00 65.34 N ATOM 749 CA LYS A 48 -4.946 12.072 -25.828 1.00 14.33 C ATOM 750 C LYS A 48 -5.346 10.720 -26.408 1.00 73.41 C ATOM 751 O LYS A 48 -4.495 9.877 -26.688 1.00 4.01 O ATOM 752 CB LYS A 48 -4.627 13.051 -26.960 1.00 61.22 C ATOM 753 CG LYS A 48 -5.695 13.102 -28.039 1.00 11.52 C ATOM 754 CD LYS A 48 -5.878 14.512 -28.576 1.00 3.25 C ATOM 755 CE LYS A 48 -7.235 14.684 -29.240 1.00 11.10 C ATOM 756 NZ LYS A 48 -8.156 15.513 -28.414 1.00 41.52 N ATOM 0 H LYS A 48 -2.951 11.601 -25.391 1.00 65.34 H new ATOM 0 HA LYS A 48 -5.783 12.459 -25.246 1.00 14.33 H new ATOM 0 HB2 LYS A 48 -4.498 14.049 -26.541 1.00 61.22 H new ATOM 0 HB3 LYS A 48 -3.677 12.771 -27.414 1.00 61.22 H new ATOM 0 HG2 LYS A 48 -5.421 12.433 -28.855 1.00 11.52 H new ATOM 0 HG3 LYS A 48 -6.640 12.740 -27.634 1.00 11.52 H new ATOM 0 HD2 LYS A 48 -5.777 15.229 -27.761 1.00 3.25 H new ATOM 0 HD3 LYS A 48 -5.089 14.734 -29.295 1.00 3.25 H new ATOM 0 HE2 LYS A 48 -7.105 15.150 -30.217 1.00 11.10 H new ATOM 0 HE3 LYS A 48 -7.682 13.705 -29.411 1.00 11.10 H new ATOM 0 HZ1 LYS A 48 -9.070 15.607 -28.901 1.00 41.52 H new ATOM 0 HZ2 LYS A 48 -8.301 15.056 -27.491 1.00 41.52 H new ATOM 0 HZ3 LYS A 48 -7.741 16.456 -28.272 1.00 41.52 H new ATOM 770 N GLY A 49 -6.648 10.519 -26.588 1.00 54.20 N ATOM 771 CA GLY A 49 -7.138 9.267 -27.136 1.00 4.54 C ATOM 772 C GLY A 49 -8.644 9.136 -27.026 1.00 23.23 C ATOM 773 O GLY A 49 -9.304 9.977 -26.417 1.00 32.01 O ATOM 0 H GLY A 49 -7.373 11.201 -26.364 1.00 54.20 H new ATOM 0 HA2 GLY A 49 -6.846 9.193 -28.183 1.00 4.54 H new ATOM 0 HA3 GLY A 49 -6.665 8.435 -26.614 1.00 4.54 H new ATOM 777 N ALA A 50 -9.188 8.078 -27.618 1.00 15.02 N ATOM 778 CA ALA A 50 -10.626 7.839 -27.583 1.00 41.22 C ATOM 779 C ALA A 50 -11.399 9.083 -28.006 1.00 55.43 C ATOM 780 O ALA A 50 -12.533 9.296 -27.579 1.00 55.24 O ATOM 781 CB ALA A 50 -11.054 7.397 -26.192 1.00 32.12 C ATOM 0 H ALA A 50 -8.655 7.373 -28.127 1.00 15.02 H new ATOM 0 HA ALA A 50 -10.854 7.043 -28.291 1.00 41.22 H new ATOM 0 HB1 ALA A 50 -12.130 7.222 -26.181 1.00 32.12 H new ATOM 0 HB2 ALA A 50 -10.534 6.477 -25.927 1.00 32.12 H new ATOM 0 HB3 ALA A 50 -10.805 8.175 -25.470 1.00 32.12 H new ATOM 787 N GLY A 51 -10.778 9.904 -28.848 1.00 62.43 N ATOM 788 CA GLY A 51 -11.423 11.117 -29.314 1.00 50.11 C ATOM 789 C GLY A 51 -11.567 12.154 -28.218 1.00 54.43 C ATOM 790 O GLY A 51 -12.567 12.869 -28.158 1.00 31.33 O ATOM 0 H GLY A 51 -9.839 9.750 -29.216 1.00 62.43 H new ATOM 0 HA2 GLY A 51 -10.845 11.539 -30.136 1.00 50.11 H new ATOM 0 HA3 GLY A 51 -12.409 10.872 -29.710 1.00 50.11 H new ATOM 794 N GLY A 52 -10.566 12.237 -27.347 1.00 62.35 N ATOM 795 CA GLY A 52 -10.606 13.196 -26.259 1.00 71.40 C ATOM 796 C GLY A 52 -9.298 13.261 -25.495 1.00 75.21 C ATOM 797 O GLY A 52 -8.334 12.579 -25.842 1.00 3.31 O ATOM 0 H GLY A 52 -9.728 11.657 -27.376 1.00 62.35 H new ATOM 0 HA2 GLY A 52 -10.840 14.183 -26.657 1.00 71.40 H new ATOM 0 HA3 GLY A 52 -11.411 12.930 -25.574 1.00 71.40 H new ATOM 801 N VAL A 53 -9.265 14.085 -24.452 1.00 65.53 N ATOM 802 CA VAL A 53 -8.065 14.237 -23.637 1.00 52.03 C ATOM 803 C VAL A 53 -8.280 13.682 -22.234 1.00 13.13 C ATOM 804 O VAL A 53 -9.354 13.837 -21.651 1.00 1.42 O ATOM 805 CB VAL A 53 -7.641 15.714 -23.534 1.00 41.10 C ATOM 806 CG1 VAL A 53 -6.967 16.167 -24.820 1.00 44.20 C ATOM 807 CG2 VAL A 53 -8.841 16.592 -23.214 1.00 34.31 C ATOM 0 H VAL A 53 -10.054 14.657 -24.152 1.00 65.53 H new ATOM 0 HA VAL A 53 -7.273 13.673 -24.130 1.00 52.03 H new ATOM 0 HB VAL A 53 -6.922 15.811 -22.721 1.00 41.10 H new ATOM 0 HG11 VAL A 53 -6.674 17.213 -24.729 1.00 44.20 H new ATOM 0 HG12 VAL A 53 -6.082 15.557 -25.001 1.00 44.20 H new ATOM 0 HG13 VAL A 53 -7.661 16.056 -25.653 1.00 44.20 H new ATOM 0 HG21 VAL A 53 -8.523 17.632 -23.145 1.00 34.31 H new ATOM 0 HG22 VAL A 53 -9.586 16.492 -24.004 1.00 34.31 H new ATOM 0 HG23 VAL A 53 -9.276 16.282 -22.264 1.00 34.31 H new ATOM 817 N HIS A 54 -7.252 13.034 -21.695 1.00 40.52 N ATOM 818 CA HIS A 54 -7.328 12.457 -20.358 1.00 62.31 C ATOM 819 C HIS A 54 -6.145 12.904 -19.505 1.00 3.30 C ATOM 820 O HIS A 54 -5.060 13.171 -20.022 1.00 41.22 O ATOM 821 CB HIS A 54 -7.364 10.930 -20.440 1.00 44.34 C ATOM 822 CG HIS A 54 -7.753 10.412 -21.791 1.00 2.33 C ATOM 823 ND1 HIS A 54 -6.984 9.516 -22.503 1.00 53.12 N ATOM 824 CD2 HIS A 54 -8.838 10.668 -22.558 1.00 51.21 C ATOM 825 CE1 HIS A 54 -7.579 9.245 -23.651 1.00 71.51 C ATOM 826 NE2 HIS A 54 -8.706 9.931 -23.709 1.00 33.42 N ATOM 0 H HIS A 54 -6.357 12.895 -22.164 1.00 40.52 H new ATOM 0 HA HIS A 54 -8.246 12.810 -19.888 1.00 62.31 H new ATOM 0 HB2 HIS A 54 -6.382 10.537 -20.178 1.00 44.34 H new ATOM 0 HB3 HIS A 54 -8.067 10.551 -19.698 1.00 44.34 H new ATOM 0 HD2 HIS A 54 -9.656 11.329 -22.311 1.00 51.21 H new ATOM 0 HE1 HIS A 54 -7.207 8.576 -24.413 1.00 71.51 H new ATOM 0 HE2 HIS A 54 -9.370 9.916 -24.483 1.00 33.42 H new ATOM 834 N ARG A 55 -6.362 12.985 -18.196 1.00 60.23 N ATOM 835 CA ARG A 55 -5.314 13.402 -17.272 1.00 54.02 C ATOM 836 C ARG A 55 -5.110 12.360 -16.176 1.00 45.13 C ATOM 837 O ARG A 55 -6.070 11.876 -15.578 1.00 12.12 O ATOM 838 CB ARG A 55 -5.665 14.753 -16.647 1.00 11.42 C ATOM 839 CG ARG A 55 -6.892 14.710 -15.751 1.00 74.12 C ATOM 840 CD ARG A 55 -7.571 16.068 -15.670 1.00 1.33 C ATOM 841 NE ARG A 55 -8.917 15.975 -15.111 1.00 52.15 N ATOM 842 CZ ARG A 55 -9.840 16.919 -15.258 1.00 35.12 C ATOM 843 NH1 ARG A 55 -9.564 18.021 -15.941 1.00 73.24 N ATOM 844 NH2 ARG A 55 -11.043 16.761 -14.720 1.00 53.10 N ATOM 0 H ARG A 55 -7.254 12.767 -17.752 1.00 60.23 H new ATOM 0 HA ARG A 55 -4.385 13.499 -17.834 1.00 54.02 H new ATOM 0 HB2 ARG A 55 -4.814 15.107 -16.066 1.00 11.42 H new ATOM 0 HB3 ARG A 55 -5.832 15.479 -17.442 1.00 11.42 H new ATOM 0 HG2 ARG A 55 -7.597 13.972 -16.133 1.00 74.12 H new ATOM 0 HG3 ARG A 55 -6.602 14.387 -14.751 1.00 74.12 H new ATOM 0 HD2 ARG A 55 -6.969 16.738 -15.056 1.00 1.33 H new ATOM 0 HD3 ARG A 55 -7.622 16.508 -16.666 1.00 1.33 H new ATOM 0 HE ARG A 55 -9.162 15.140 -14.579 1.00 52.15 H new ATOM 0 HH11 ARG A 55 -8.641 18.146 -16.356 1.00 73.24 H new ATOM 0 HH12 ARG A 55 -10.275 18.744 -16.052 1.00 73.24 H new ATOM 0 HH21 ARG A 55 -11.259 15.915 -14.193 1.00 53.10 H new ATOM 0 HH22 ARG A 55 -11.751 17.486 -14.833 1.00 53.10 H new ATOM 858 N VAL A 56 -3.851 12.019 -15.919 1.00 63.12 N ATOM 859 CA VAL A 56 -3.519 11.035 -14.895 1.00 52.14 C ATOM 860 C VAL A 56 -2.235 11.412 -14.166 1.00 44.43 C ATOM 861 O VAL A 56 -1.430 12.196 -14.670 1.00 61.14 O ATOM 862 CB VAL A 56 -3.359 9.628 -15.500 1.00 62.24 C ATOM 863 CG1 VAL A 56 -4.715 9.047 -15.869 1.00 55.12 C ATOM 864 CG2 VAL A 56 -2.441 9.671 -16.713 1.00 22.14 C ATOM 0 H VAL A 56 -3.044 12.410 -16.406 1.00 63.12 H new ATOM 0 HA VAL A 56 -4.346 11.025 -14.185 1.00 52.14 H new ATOM 0 HB VAL A 56 -2.905 8.980 -14.751 1.00 62.24 H new ATOM 0 HG11 VAL A 56 -4.581 8.053 -16.295 1.00 55.12 H new ATOM 0 HG12 VAL A 56 -5.337 8.979 -14.976 1.00 55.12 H new ATOM 0 HG13 VAL A 56 -5.201 9.693 -16.601 1.00 55.12 H new ATOM 0 HG21 VAL A 56 -2.339 8.668 -17.128 1.00 22.14 H new ATOM 0 HG22 VAL A 56 -2.865 10.334 -17.467 1.00 22.14 H new ATOM 0 HG23 VAL A 56 -1.460 10.041 -16.414 1.00 22.14 H new ATOM 874 N ARG A 57 -2.049 10.849 -12.977 1.00 3.31 N ATOM 875 CA ARG A 57 -0.862 11.127 -12.177 1.00 43.13 C ATOM 876 C ARG A 57 -0.187 9.831 -11.737 1.00 14.03 C ATOM 877 O ARG A 57 -0.671 8.737 -12.028 1.00 41.03 O ATOM 878 CB ARG A 57 -1.231 11.965 -10.952 1.00 21.34 C ATOM 879 CG ARG A 57 -1.949 11.176 -9.869 1.00 21.13 C ATOM 880 CD ARG A 57 -2.269 12.047 -8.664 1.00 44.21 C ATOM 881 NE ARG A 57 -1.076 12.698 -8.127 1.00 73.14 N ATOM 882 CZ ARG A 57 -0.193 12.085 -7.347 1.00 40.12 C ATOM 883 NH1 ARG A 57 -0.367 10.813 -7.015 1.00 2.52 N ATOM 884 NH2 ARG A 57 0.867 12.745 -6.898 1.00 64.42 N ATOM 0 H ARG A 57 -2.705 10.198 -12.546 1.00 3.31 H new ATOM 0 HA ARG A 57 -0.162 11.689 -12.795 1.00 43.13 H new ATOM 0 HB2 ARG A 57 -0.324 12.399 -10.532 1.00 21.34 H new ATOM 0 HB3 ARG A 57 -1.865 12.794 -11.267 1.00 21.34 H new ATOM 0 HG2 ARG A 57 -2.871 10.758 -10.273 1.00 21.13 H new ATOM 0 HG3 ARG A 57 -1.328 10.336 -9.557 1.00 21.13 H new ATOM 0 HD2 ARG A 57 -2.999 12.805 -8.948 1.00 44.21 H new ATOM 0 HD3 ARG A 57 -2.730 11.436 -7.887 1.00 44.21 H new ATOM 0 HE ARG A 57 -0.913 13.676 -8.364 1.00 73.14 H new ATOM 0 HH11 ARG A 57 -1.181 10.303 -7.359 1.00 2.52 H new ATOM 0 HH12 ARG A 57 0.313 10.345 -6.416 1.00 2.52 H new ATOM 0 HH21 ARG A 57 1.004 13.723 -7.152 1.00 64.42 H new ATOM 0 HH22 ARG A 57 1.545 12.274 -6.299 1.00 64.42 H new ATOM 898 N VAL A 58 0.933 9.962 -11.033 1.00 15.22 N ATOM 899 CA VAL A 58 1.673 8.802 -10.551 1.00 42.33 C ATOM 900 C VAL A 58 0.761 7.842 -9.797 1.00 14.02 C ATOM 901 O VAL A 58 0.189 8.193 -8.765 1.00 44.24 O ATOM 902 CB VAL A 58 2.834 9.221 -9.630 1.00 23.32 C ATOM 903 CG1 VAL A 58 3.585 7.997 -9.127 1.00 71.12 C ATOM 904 CG2 VAL A 58 3.774 10.172 -10.356 1.00 32.33 C ATOM 0 H VAL A 58 1.348 10.860 -10.784 1.00 15.22 H new ATOM 0 HA VAL A 58 2.078 8.298 -11.428 1.00 42.33 H new ATOM 0 HB VAL A 58 2.420 9.744 -8.768 1.00 23.32 H new ATOM 0 HG11 VAL A 58 4.402 8.313 -8.478 1.00 71.12 H new ATOM 0 HG12 VAL A 58 2.903 7.356 -8.567 1.00 71.12 H new ATOM 0 HG13 VAL A 58 3.989 7.444 -9.975 1.00 71.12 H new ATOM 0 HG21 VAL A 58 4.588 10.458 -9.690 1.00 32.33 H new ATOM 0 HG22 VAL A 58 4.182 9.678 -11.237 1.00 32.33 H new ATOM 0 HG23 VAL A 58 3.226 11.063 -10.661 1.00 32.33 H new ATOM 914 N GLY A 59 0.629 6.626 -10.319 1.00 15.22 N ATOM 915 CA GLY A 59 -0.216 5.633 -9.681 1.00 61.02 C ATOM 916 C GLY A 59 -1.474 5.345 -10.476 1.00 41.13 C ATOM 917 O GLY A 59 -1.991 4.228 -10.450 1.00 41.11 O ATOM 0 H GLY A 59 1.092 6.311 -11.172 1.00 15.22 H new ATOM 0 HA2 GLY A 59 0.348 4.709 -9.552 1.00 61.02 H new ATOM 0 HA3 GLY A 59 -0.491 5.980 -8.685 1.00 61.02 H new ATOM 921 N ASP A 60 -1.969 6.355 -11.184 1.00 23.24 N ATOM 922 CA ASP A 60 -3.175 6.205 -11.989 1.00 41.15 C ATOM 923 C ASP A 60 -3.009 5.087 -13.014 1.00 43.10 C ATOM 924 O ASP A 60 -1.911 4.563 -13.204 1.00 4.43 O ATOM 925 CB ASP A 60 -3.506 7.519 -12.699 1.00 72.10 C ATOM 926 CG ASP A 60 -4.233 8.497 -11.797 1.00 23.12 C ATOM 927 OD1 ASP A 60 -4.144 8.342 -10.560 1.00 52.45 O ATOM 928 OD2 ASP A 60 -4.889 9.417 -12.327 1.00 10.42 O ATOM 0 H ASP A 60 -1.553 7.286 -11.216 1.00 23.24 H new ATOM 0 HA ASP A 60 -3.997 5.943 -11.323 1.00 41.15 H new ATOM 0 HB2 ASP A 60 -2.584 7.977 -13.058 1.00 72.10 H new ATOM 0 HB3 ASP A 60 -4.121 7.311 -13.575 1.00 72.10 H new ATOM 933 N TYR A 61 -4.105 4.726 -13.671 1.00 33.12 N ATOM 934 CA TYR A 61 -4.082 3.668 -14.674 1.00 21.45 C ATOM 935 C TYR A 61 -4.813 4.101 -15.941 1.00 4.44 C ATOM 936 O TYR A 61 -5.779 4.863 -15.884 1.00 74.45 O ATOM 937 CB TYR A 61 -4.718 2.393 -14.116 1.00 1.35 C ATOM 938 CG TYR A 61 -4.234 2.032 -12.729 1.00 71.03 C ATOM 939 CD1 TYR A 61 -4.813 2.599 -11.601 1.00 32.25 C ATOM 940 CD2 TYR A 61 -3.197 1.125 -12.548 1.00 74.13 C ATOM 941 CE1 TYR A 61 -4.374 2.272 -10.332 1.00 50.30 C ATOM 942 CE2 TYR A 61 -2.753 0.791 -11.284 1.00 1.44 C ATOM 943 CZ TYR A 61 -3.344 1.368 -10.179 1.00 31.22 C ATOM 944 OH TYR A 61 -2.903 1.039 -8.917 1.00 51.33 O ATOM 0 H TYR A 61 -5.021 5.151 -13.527 1.00 33.12 H new ATOM 0 HA TYR A 61 -3.041 3.467 -14.928 1.00 21.45 H new ATOM 0 HB2 TYR A 61 -5.801 2.517 -14.093 1.00 1.35 H new ATOM 0 HB3 TYR A 61 -4.506 1.565 -14.793 1.00 1.35 H new ATOM 0 HD1 TYR A 61 -5.620 3.307 -11.718 1.00 32.25 H new ATOM 0 HD2 TYR A 61 -2.730 0.673 -13.411 1.00 74.13 H new ATOM 0 HE1 TYR A 61 -4.835 2.722 -9.465 1.00 50.30 H new ATOM 0 HE2 TYR A 61 -1.948 0.082 -11.161 1.00 1.44 H new ATOM 0 HH TYR A 61 -2.173 0.388 -8.985 1.00 51.33 H new ATOM 954 N LEU A 62 -4.344 3.611 -17.083 1.00 11.01 N ATOM 955 CA LEU A 62 -4.952 3.946 -18.366 1.00 12.11 C ATOM 956 C LEU A 62 -4.694 2.849 -19.394 1.00 14.02 C ATOM 957 O LEU A 62 -3.667 2.173 -19.351 1.00 54.10 O ATOM 958 CB LEU A 62 -4.406 5.280 -18.879 1.00 21.23 C ATOM 959 CG LEU A 62 -5.061 6.538 -18.307 1.00 61.31 C ATOM 960 CD1 LEU A 62 -4.403 7.786 -18.873 1.00 5.42 C ATOM 961 CD2 LEU A 62 -6.554 6.541 -18.599 1.00 13.00 C ATOM 0 H LEU A 62 -3.545 2.980 -17.147 1.00 11.01 H new ATOM 0 HA LEU A 62 -6.028 4.034 -18.218 1.00 12.11 H new ATOM 0 HB2 LEU A 62 -3.338 5.320 -18.663 1.00 21.23 H new ATOM 0 HB3 LEU A 62 -4.512 5.300 -19.964 1.00 21.23 H new ATOM 0 HG LEU A 62 -4.922 6.538 -17.226 1.00 61.31 H new ATOM 0 HD11 LEU A 62 -4.882 8.671 -18.455 1.00 5.42 H new ATOM 0 HD12 LEU A 62 -3.344 7.789 -18.613 1.00 5.42 H new ATOM 0 HD13 LEU A 62 -4.510 7.794 -19.958 1.00 5.42 H new ATOM 0 HD21 LEU A 62 -7.004 7.443 -18.185 1.00 13.00 H new ATOM 0 HD22 LEU A 62 -6.714 6.518 -19.677 1.00 13.00 H new ATOM 0 HD23 LEU A 62 -7.015 5.664 -18.145 1.00 13.00 H new ATOM 973 N GLY A 63 -5.634 2.679 -20.319 1.00 51.21 N ATOM 974 CA GLY A 63 -5.489 1.664 -21.346 1.00 41.53 C ATOM 975 C GLY A 63 -6.052 0.323 -20.920 1.00 4.11 C ATOM 976 O GLY A 63 -6.293 0.092 -19.735 1.00 0.10 O ATOM 0 H GLY A 63 -6.493 3.226 -20.375 1.00 51.21 H new ATOM 0 HA2 GLY A 63 -5.994 1.995 -22.253 1.00 41.53 H new ATOM 0 HA3 GLY A 63 -4.433 1.549 -21.593 1.00 41.53 H new ATOM 980 N ARG A 64 -6.263 -0.563 -21.888 1.00 3.13 N ATOM 981 CA ARG A 64 -6.804 -1.887 -21.606 1.00 64.24 C ATOM 982 C ARG A 64 -5.759 -2.768 -20.928 1.00 64.42 C ATOM 983 O ARG A 64 -6.087 -3.800 -20.343 1.00 53.35 O ATOM 984 CB ARG A 64 -7.284 -2.550 -22.899 1.00 33.25 C ATOM 985 CG ARG A 64 -8.786 -2.453 -23.111 1.00 12.41 C ATOM 986 CD ARG A 64 -9.260 -3.414 -24.190 1.00 21.14 C ATOM 987 NE ARG A 64 -9.381 -4.781 -23.690 1.00 13.15 N ATOM 988 CZ ARG A 64 -9.916 -5.775 -24.390 1.00 14.23 C ATOM 989 NH1 ARG A 64 -10.377 -5.555 -25.614 1.00 24.34 N ATOM 990 NH2 ARG A 64 -9.991 -6.992 -23.866 1.00 54.30 N ATOM 0 H ARG A 64 -6.068 -0.388 -22.874 1.00 3.13 H new ATOM 0 HA ARG A 64 -7.650 -1.770 -20.929 1.00 64.24 H new ATOM 0 HB2 ARG A 64 -6.775 -2.088 -23.745 1.00 33.25 H new ATOM 0 HB3 ARG A 64 -6.994 -3.601 -22.888 1.00 33.25 H new ATOM 0 HG2 ARG A 64 -9.301 -2.672 -22.176 1.00 12.41 H new ATOM 0 HG3 ARG A 64 -9.050 -1.433 -23.389 1.00 12.41 H new ATOM 0 HD2 ARG A 64 -10.225 -3.081 -24.573 1.00 21.14 H new ATOM 0 HD3 ARG A 64 -8.561 -3.394 -25.026 1.00 21.14 H new ATOM 0 HE ARG A 64 -9.036 -4.983 -22.752 1.00 13.15 H new ATOM 0 HH11 ARG A 64 -10.321 -4.621 -26.020 1.00 24.34 H new ATOM 0 HH12 ARG A 64 -10.787 -6.320 -26.150 1.00 24.34 H new ATOM 0 HH21 ARG A 64 -9.638 -7.165 -22.925 1.00 54.30 H new ATOM 0 HH22 ARG A 64 -10.402 -7.755 -24.404 1.00 54.30 H new ATOM 1004 N ASN A 65 -4.498 -2.354 -21.012 1.00 35.32 N ATOM 1005 CA ASN A 65 -3.405 -3.106 -20.407 1.00 70.52 C ATOM 1006 C ASN A 65 -3.114 -2.604 -18.996 1.00 60.14 C ATOM 1007 O ASN A 65 -2.046 -2.864 -18.442 1.00 31.23 O ATOM 1008 CB ASN A 65 -2.146 -2.998 -21.269 1.00 43.23 C ATOM 1009 CG ASN A 65 -2.393 -3.407 -22.708 1.00 71.24 C ATOM 1010 OD1 ASN A 65 -2.090 -2.660 -23.639 1.00 15.12 O ATOM 1011 ND2 ASN A 65 -2.946 -4.600 -22.897 1.00 52.54 N ATOM 0 H ASN A 65 -4.209 -1.502 -21.493 1.00 35.32 H new ATOM 0 HA ASN A 65 -3.707 -4.152 -20.346 1.00 70.52 H new ATOM 0 HB2 ASN A 65 -1.779 -1.972 -21.244 1.00 43.23 H new ATOM 0 HB3 ASN A 65 -1.364 -3.627 -20.845 1.00 43.23 H new ATOM 0 HD21 ASN A 65 -3.136 -4.930 -23.843 1.00 52.54 H new ATOM 0 HD22 ASN A 65 -3.181 -5.186 -22.096 1.00 52.54 H new ATOM 1018 N ASP A 66 -4.071 -1.884 -18.422 1.00 0.13 N ATOM 1019 CA ASP A 66 -3.919 -1.346 -17.075 1.00 22.12 C ATOM 1020 C ASP A 66 -2.611 -0.572 -16.943 1.00 63.41 C ATOM 1021 O ASP A 66 -1.871 -0.743 -15.975 1.00 33.31 O ATOM 1022 CB ASP A 66 -3.964 -2.475 -16.044 1.00 0.02 C ATOM 1023 CG ASP A 66 -5.376 -2.956 -15.773 1.00 11.51 C ATOM 1024 OD1 ASP A 66 -6.322 -2.173 -15.998 1.00 53.53 O ATOM 1025 OD2 ASP A 66 -5.535 -4.114 -15.335 1.00 32.32 O ATOM 0 H ASP A 66 -4.960 -1.659 -18.868 1.00 0.13 H new ATOM 0 HA ASP A 66 -4.746 -0.661 -16.889 1.00 22.12 H new ATOM 0 HB2 ASP A 66 -3.360 -3.311 -16.398 1.00 0.02 H new ATOM 0 HB3 ASP A 66 -3.516 -2.130 -15.112 1.00 0.02 H new ATOM 1030 N GLY A 67 -2.331 0.279 -17.925 1.00 50.14 N ATOM 1031 CA GLY A 67 -1.111 1.065 -17.901 1.00 15.42 C ATOM 1032 C GLY A 67 -1.004 1.931 -16.661 1.00 34.42 C ATOM 1033 O GLY A 67 -1.591 3.011 -16.596 1.00 3.33 O ATOM 0 H GLY A 67 -2.927 0.438 -18.737 1.00 50.14 H new ATOM 0 HA2 GLY A 67 -0.251 0.397 -17.949 1.00 15.42 H new ATOM 0 HA3 GLY A 67 -1.073 1.698 -18.787 1.00 15.42 H new ATOM 1037 N LYS A 68 -0.255 1.455 -15.672 1.00 63.13 N ATOM 1038 CA LYS A 68 -0.072 2.191 -14.427 1.00 52.32 C ATOM 1039 C LYS A 68 1.101 3.160 -14.535 1.00 52.31 C ATOM 1040 O LYS A 68 2.228 2.757 -14.822 1.00 71.10 O ATOM 1041 CB LYS A 68 0.159 1.221 -13.266 1.00 51.42 C ATOM 1042 CG LYS A 68 0.366 1.912 -11.929 1.00 64.42 C ATOM 1043 CD LYS A 68 1.038 0.990 -10.924 1.00 52.54 C ATOM 1044 CE LYS A 68 2.496 0.744 -11.281 1.00 52.53 C ATOM 1045 NZ LYS A 68 3.189 -0.073 -10.248 1.00 63.51 N ATOM 0 H LYS A 68 0.236 0.562 -15.709 1.00 63.13 H new ATOM 0 HA LYS A 68 -0.979 2.766 -14.237 1.00 52.32 H new ATOM 0 HB2 LYS A 68 -0.695 0.549 -13.190 1.00 51.42 H new ATOM 0 HB3 LYS A 68 1.031 0.605 -13.486 1.00 51.42 H new ATOM 0 HG2 LYS A 68 0.976 2.805 -12.070 1.00 64.42 H new ATOM 0 HG3 LYS A 68 -0.596 2.242 -11.536 1.00 64.42 H new ATOM 0 HD2 LYS A 68 0.975 1.428 -9.928 1.00 52.54 H new ATOM 0 HD3 LYS A 68 0.506 0.039 -10.888 1.00 52.54 H new ATOM 0 HE2 LYS A 68 2.554 0.237 -12.244 1.00 52.53 H new ATOM 0 HE3 LYS A 68 3.009 1.699 -11.393 1.00 52.53 H new ATOM 0 HZ1 LYS A 68 4.180 -0.219 -10.528 1.00 63.51 H new ATOM 0 HZ2 LYS A 68 3.156 0.422 -9.334 1.00 63.51 H new ATOM 0 HZ3 LYS A 68 2.715 -0.995 -10.159 1.00 63.51 H new ATOM 1059 N VAL A 69 0.829 4.440 -14.302 1.00 14.41 N ATOM 1060 CA VAL A 69 1.862 5.467 -14.370 1.00 60.44 C ATOM 1061 C VAL A 69 2.874 5.303 -13.242 1.00 42.31 C ATOM 1062 O VAL A 69 2.511 5.285 -12.066 1.00 4.42 O ATOM 1063 CB VAL A 69 1.255 6.880 -14.300 1.00 12.31 C ATOM 1064 CG1 VAL A 69 2.341 7.936 -14.438 1.00 23.21 C ATOM 1065 CG2 VAL A 69 0.190 7.056 -15.372 1.00 12.22 C ATOM 0 H VAL A 69 -0.099 4.791 -14.064 1.00 14.41 H new ATOM 0 HA VAL A 69 2.367 5.345 -15.328 1.00 60.44 H new ATOM 0 HB VAL A 69 0.782 7.005 -13.326 1.00 12.31 H new ATOM 0 HG11 VAL A 69 1.892 8.928 -14.386 1.00 23.21 H new ATOM 0 HG12 VAL A 69 3.064 7.822 -13.630 1.00 23.21 H new ATOM 0 HG13 VAL A 69 2.846 7.816 -15.397 1.00 23.21 H new ATOM 0 HG21 VAL A 69 -0.228 8.060 -15.308 1.00 12.22 H new ATOM 0 HG22 VAL A 69 0.637 6.911 -16.356 1.00 12.22 H new ATOM 0 HG23 VAL A 69 -0.602 6.323 -15.222 1.00 12.22 H new ATOM 1075 N VAL A 70 4.147 5.185 -13.608 1.00 75.23 N ATOM 1076 CA VAL A 70 5.213 5.025 -12.627 1.00 32.41 C ATOM 1077 C VAL A 70 6.229 6.156 -12.730 1.00 42.20 C ATOM 1078 O VAL A 70 6.877 6.514 -11.747 1.00 51.44 O ATOM 1079 CB VAL A 70 5.940 3.678 -12.803 1.00 42.42 C ATOM 1080 CG1 VAL A 70 4.938 2.538 -12.893 1.00 21.53 C ATOM 1081 CG2 VAL A 70 6.833 3.713 -14.034 1.00 72.34 C ATOM 0 H VAL A 70 4.464 5.197 -14.577 1.00 75.23 H new ATOM 0 HA VAL A 70 4.744 5.051 -11.643 1.00 32.41 H new ATOM 0 HB VAL A 70 6.570 3.507 -11.930 1.00 42.42 H new ATOM 0 HG11 VAL A 70 5.470 1.595 -13.017 1.00 21.53 H new ATOM 0 HG12 VAL A 70 4.344 2.502 -11.979 1.00 21.53 H new ATOM 0 HG13 VAL A 70 4.280 2.698 -13.747 1.00 21.53 H new ATOM 0 HG21 VAL A 70 7.339 2.754 -14.144 1.00 72.34 H new ATOM 0 HG22 VAL A 70 6.226 3.906 -14.918 1.00 72.34 H new ATOM 0 HG23 VAL A 70 7.575 4.504 -13.923 1.00 72.34 H new ATOM 1091 N GLY A 71 6.364 6.717 -13.928 1.00 75.54 N ATOM 1092 CA GLY A 71 7.303 7.803 -14.138 1.00 72.44 C ATOM 1093 C GLY A 71 6.747 8.883 -15.044 1.00 54.22 C ATOM 1094 O GLY A 71 6.022 8.592 -15.997 1.00 25.14 O ATOM 0 H GLY A 71 5.839 6.438 -14.757 1.00 75.54 H new ATOM 0 HA2 GLY A 71 7.568 8.241 -13.176 1.00 72.44 H new ATOM 0 HA3 GLY A 71 8.221 7.407 -14.571 1.00 72.44 H new ATOM 1098 N ILE A 72 7.084 10.134 -14.747 1.00 33.41 N ATOM 1099 CA ILE A 72 6.612 11.261 -15.542 1.00 22.13 C ATOM 1100 C ILE A 72 7.753 12.218 -15.869 1.00 0.43 C ATOM 1101 O ILE A 72 8.465 12.679 -14.977 1.00 2.33 O ATOM 1102 CB ILE A 72 5.499 12.037 -14.813 1.00 73.43 C ATOM 1103 CG1 ILE A 72 4.302 11.122 -14.544 1.00 51.04 C ATOM 1104 CG2 ILE A 72 5.074 13.247 -15.631 1.00 61.15 C ATOM 1105 CD1 ILE A 72 3.414 11.604 -13.419 1.00 0.04 C ATOM 0 H ILE A 72 7.682 10.392 -13.962 1.00 33.41 H new ATOM 0 HA ILE A 72 6.210 10.849 -16.467 1.00 22.13 H new ATOM 0 HB ILE A 72 5.887 12.388 -13.857 1.00 73.43 H new ATOM 0 HG12 ILE A 72 3.708 11.037 -15.454 1.00 51.04 H new ATOM 0 HG13 ILE A 72 4.665 10.122 -14.306 1.00 51.04 H new ATOM 0 HG21 ILE A 72 4.287 13.785 -15.103 1.00 61.15 H new ATOM 0 HG22 ILE A 72 5.930 13.906 -15.777 1.00 61.15 H new ATOM 0 HG23 ILE A 72 4.701 12.918 -16.601 1.00 61.15 H new ATOM 0 HD11 ILE A 72 2.587 10.907 -13.284 1.00 0.04 H new ATOM 0 HD12 ILE A 72 3.993 11.662 -12.497 1.00 0.04 H new ATOM 0 HD13 ILE A 72 3.021 12.591 -13.663 1.00 0.04 H new ATOM 1117 N SER A 73 7.920 12.515 -17.154 1.00 34.24 N ATOM 1118 CA SER A 73 8.975 13.416 -17.599 1.00 44.45 C ATOM 1119 C SER A 73 8.385 14.674 -18.230 1.00 3.32 C ATOM 1120 O SER A 73 7.192 14.944 -18.101 1.00 73.10 O ATOM 1121 CB SER A 73 9.889 12.710 -18.603 1.00 73.30 C ATOM 1122 OG SER A 73 11.090 13.435 -18.798 1.00 42.30 O ATOM 0 H SER A 73 7.338 12.144 -17.905 1.00 34.24 H new ATOM 0 HA SER A 73 9.561 13.707 -16.727 1.00 44.45 H new ATOM 0 HB2 SER A 73 10.120 11.707 -18.245 1.00 73.30 H new ATOM 0 HB3 SER A 73 9.370 12.597 -19.555 1.00 73.30 H new ATOM 0 HG SER A 73 11.421 13.282 -19.708 1.00 42.30 H new ATOM 1128 N GLU A 74 9.232 15.440 -18.911 1.00 53.04 N ATOM 1129 CA GLU A 74 8.794 16.670 -19.561 1.00 44.01 C ATOM 1130 C GLU A 74 8.454 16.419 -21.027 1.00 51.44 C ATOM 1131 O GLU A 74 7.759 17.214 -21.659 1.00 44.33 O ATOM 1132 CB GLU A 74 9.880 17.743 -19.454 1.00 52.24 C ATOM 1133 CG GLU A 74 11.123 17.435 -20.273 1.00 14.34 C ATOM 1134 CD GLU A 74 12.304 18.305 -19.889 1.00 10.12 C ATOM 1135 OE1 GLU A 74 12.350 19.473 -20.329 1.00 71.53 O ATOM 1136 OE2 GLU A 74 13.183 17.817 -19.147 1.00 53.52 O ATOM 0 H GLU A 74 10.224 15.231 -19.027 1.00 53.04 H new ATOM 0 HA GLU A 74 7.896 17.020 -19.053 1.00 44.01 H new ATOM 0 HB2 GLU A 74 9.468 18.698 -19.779 1.00 52.24 H new ATOM 0 HB3 GLU A 74 10.164 17.858 -18.408 1.00 52.24 H new ATOM 0 HG2 GLU A 74 11.390 16.387 -20.141 1.00 14.34 H new ATOM 0 HG3 GLU A 74 10.901 17.576 -21.331 1.00 14.34 H new ATOM 1143 N GLY A 75 8.950 15.308 -21.562 1.00 75.45 N ATOM 1144 CA GLY A 75 8.688 14.972 -22.950 1.00 23.31 C ATOM 1145 C GLY A 75 8.277 13.524 -23.128 1.00 71.23 C ATOM 1146 O GLY A 75 8.221 13.020 -24.250 1.00 64.42 O ATOM 0 H GLY A 75 9.528 14.635 -21.060 1.00 75.45 H new ATOM 0 HA2 GLY A 75 7.901 15.620 -23.335 1.00 23.31 H new ATOM 0 HA3 GLY A 75 9.581 15.169 -23.543 1.00 23.31 H new ATOM 1150 N LYS A 76 7.989 12.851 -22.019 1.00 52.22 N ATOM 1151 CA LYS A 76 7.581 11.452 -22.056 1.00 74.05 C ATOM 1152 C LYS A 76 7.080 10.995 -20.690 1.00 74.22 C ATOM 1153 O LYS A 76 7.289 11.672 -19.684 1.00 1.34 O ATOM 1154 CB LYS A 76 8.749 10.570 -22.504 1.00 53.43 C ATOM 1155 CG LYS A 76 9.989 10.720 -21.641 1.00 64.02 C ATOM 1156 CD LYS A 76 10.907 11.810 -22.168 1.00 1.50 C ATOM 1157 CE LYS A 76 12.343 11.597 -21.715 1.00 3.41 C ATOM 1158 NZ LYS A 76 12.961 10.410 -22.368 1.00 34.11 N ATOM 0 H LYS A 76 8.031 13.253 -21.082 1.00 52.22 H new ATOM 0 HA LYS A 76 6.766 11.356 -22.773 1.00 74.05 H new ATOM 0 HB2 LYS A 76 8.432 9.527 -22.492 1.00 53.43 H new ATOM 0 HB3 LYS A 76 9.003 10.814 -23.536 1.00 53.43 H new ATOM 0 HG2 LYS A 76 9.695 10.954 -20.618 1.00 64.02 H new ATOM 0 HG3 LYS A 76 10.528 9.773 -21.609 1.00 64.02 H new ATOM 0 HD2 LYS A 76 10.867 11.826 -23.257 1.00 1.50 H new ATOM 0 HD3 LYS A 76 10.556 12.782 -21.822 1.00 1.50 H new ATOM 0 HE2 LYS A 76 12.932 12.485 -21.945 1.00 3.41 H new ATOM 0 HE3 LYS A 76 12.367 11.470 -20.633 1.00 3.41 H new ATOM 0 HZ1 LYS A 76 13.997 10.492 -22.328 1.00 34.11 H new ATOM 0 HZ2 LYS A 76 12.663 9.546 -21.872 1.00 34.11 H new ATOM 0 HZ3 LYS A 76 12.656 10.362 -23.361 1.00 34.11 H new ATOM 1172 N ILE A 77 6.419 9.842 -20.663 1.00 0.23 N ATOM 1173 CA ILE A 77 5.891 9.294 -19.419 1.00 42.34 C ATOM 1174 C ILE A 77 6.045 7.778 -19.378 1.00 73.31 C ATOM 1175 O ILE A 77 5.608 7.074 -20.289 1.00 51.32 O ATOM 1176 CB ILE A 77 4.406 9.654 -19.232 1.00 15.04 C ATOM 1177 CG1 ILE A 77 4.207 11.167 -19.337 1.00 44.53 C ATOM 1178 CG2 ILE A 77 3.902 9.141 -17.891 1.00 73.30 C ATOM 1179 CD1 ILE A 77 3.947 11.646 -20.749 1.00 30.34 C ATOM 0 H ILE A 77 6.237 9.270 -21.487 1.00 0.23 H new ATOM 0 HA ILE A 77 6.468 9.737 -18.608 1.00 42.34 H new ATOM 0 HB ILE A 77 3.830 9.175 -20.024 1.00 15.04 H new ATOM 0 HG12 ILE A 77 3.370 11.460 -18.703 1.00 44.53 H new ATOM 0 HG13 ILE A 77 5.093 11.670 -18.949 1.00 44.53 H new ATOM 0 HG21 ILE A 77 2.851 9.403 -17.773 1.00 73.30 H new ATOM 0 HG22 ILE A 77 4.013 8.057 -17.851 1.00 73.30 H new ATOM 0 HG23 ILE A 77 4.481 9.595 -17.087 1.00 73.30 H new ATOM 0 HD11 ILE A 77 3.816 12.728 -20.748 1.00 30.34 H new ATOM 0 HD12 ILE A 77 4.793 11.384 -21.384 1.00 30.34 H new ATOM 0 HD13 ILE A 77 3.044 11.171 -21.134 1.00 30.34 H new ATOM 1191 N ASP A 78 6.666 7.280 -18.315 1.00 3.44 N ATOM 1192 CA ASP A 78 6.875 5.846 -18.152 1.00 41.32 C ATOM 1193 C ASP A 78 5.712 5.210 -17.397 1.00 63.01 C ATOM 1194 O ASP A 78 5.331 5.671 -16.321 1.00 74.23 O ATOM 1195 CB ASP A 78 8.187 5.581 -17.412 1.00 33.15 C ATOM 1196 CG ASP A 78 9.389 5.609 -18.335 1.00 31.12 C ATOM 1197 OD1 ASP A 78 9.864 6.718 -18.656 1.00 71.12 O ATOM 1198 OD2 ASP A 78 9.854 4.522 -18.737 1.00 22.42 O ATOM 0 H ASP A 78 7.034 7.849 -17.552 1.00 3.44 H new ATOM 0 HA ASP A 78 6.930 5.396 -19.143 1.00 41.32 H new ATOM 0 HB2 ASP A 78 8.316 6.328 -16.629 1.00 33.15 H new ATOM 0 HB3 ASP A 78 8.133 4.610 -16.920 1.00 33.15 H new ATOM 1203 N VAL A 79 5.152 4.149 -17.969 1.00 22.54 N ATOM 1204 CA VAL A 79 4.033 3.449 -17.350 1.00 32.41 C ATOM 1205 C VAL A 79 4.159 1.940 -17.533 1.00 52.41 C ATOM 1206 O VAL A 79 4.739 1.470 -18.512 1.00 52.34 O ATOM 1207 CB VAL A 79 2.687 3.915 -17.935 1.00 54.10 C ATOM 1208 CG1 VAL A 79 2.589 5.433 -17.906 1.00 71.23 C ATOM 1209 CG2 VAL A 79 2.510 3.388 -19.351 1.00 44.01 C ATOM 0 H VAL A 79 5.455 3.755 -18.860 1.00 22.54 H new ATOM 0 HA VAL A 79 4.061 3.687 -16.287 1.00 32.41 H new ATOM 0 HB VAL A 79 1.884 3.511 -17.319 1.00 54.10 H new ATOM 0 HG11 VAL A 79 1.631 5.744 -18.323 1.00 71.23 H new ATOM 0 HG12 VAL A 79 2.667 5.783 -16.877 1.00 71.23 H new ATOM 0 HG13 VAL A 79 3.398 5.861 -18.497 1.00 71.23 H new ATOM 0 HG21 VAL A 79 1.553 3.727 -19.749 1.00 44.01 H new ATOM 0 HG22 VAL A 79 3.317 3.760 -19.981 1.00 44.01 H new ATOM 0 HG23 VAL A 79 2.532 2.298 -19.339 1.00 44.01 H new ATOM 1219 N ILE A 80 3.612 1.187 -16.585 1.00 53.11 N ATOM 1220 CA ILE A 80 3.662 -0.269 -16.643 1.00 55.51 C ATOM 1221 C ILE A 80 2.383 -0.839 -17.248 1.00 11.35 C ATOM 1222 O ILE A 80 1.298 -0.681 -16.690 1.00 34.04 O ATOM 1223 CB ILE A 80 3.873 -0.881 -15.246 1.00 12.43 C ATOM 1224 CG1 ILE A 80 5.362 -0.906 -14.896 1.00 1.42 C ATOM 1225 CG2 ILE A 80 3.286 -2.283 -15.188 1.00 31.04 C ATOM 1226 CD1 ILE A 80 6.152 -1.925 -15.687 1.00 13.21 C ATOM 0 H ILE A 80 3.129 1.561 -15.768 1.00 53.11 H new ATOM 0 HA ILE A 80 4.509 -0.531 -17.277 1.00 55.51 H new ATOM 0 HB ILE A 80 3.357 -0.262 -14.512 1.00 12.43 H new ATOM 0 HG12 ILE A 80 5.784 0.084 -15.070 1.00 1.42 H new ATOM 0 HG13 ILE A 80 5.473 -1.118 -13.833 1.00 1.42 H new ATOM 0 HG21 ILE A 80 3.443 -2.702 -14.194 1.00 31.04 H new ATOM 0 HG22 ILE A 80 2.217 -2.239 -15.399 1.00 31.04 H new ATOM 0 HG23 ILE A 80 3.776 -2.914 -15.930 1.00 31.04 H new ATOM 0 HD11 ILE A 80 7.199 -1.887 -15.387 1.00 13.21 H new ATOM 0 HD12 ILE A 80 5.756 -2.922 -15.494 1.00 13.21 H new ATOM 0 HD13 ILE A 80 6.071 -1.702 -16.751 1.00 13.21 H new ATOM 1238 N GLU A 81 2.520 -1.503 -18.391 1.00 23.34 N ATOM 1239 CA GLU A 81 1.375 -2.098 -19.070 1.00 63.10 C ATOM 1240 C GLU A 81 1.424 -3.621 -18.986 1.00 72.01 C ATOM 1241 O GLU A 81 2.499 -4.214 -18.896 1.00 21.14 O ATOM 1242 CB GLU A 81 1.338 -1.658 -20.535 1.00 23.00 C ATOM 1243 CG GLU A 81 1.321 -0.150 -20.717 1.00 53.41 C ATOM 1244 CD GLU A 81 1.923 0.285 -22.039 1.00 1.51 C ATOM 1245 OE1 GLU A 81 2.226 -0.594 -22.872 1.00 35.11 O ATOM 1246 OE2 GLU A 81 2.092 1.507 -22.240 1.00 31.41 O ATOM 0 H GLU A 81 3.412 -1.642 -18.866 1.00 23.34 H new ATOM 0 HA GLU A 81 0.469 -1.753 -18.571 1.00 63.10 H new ATOM 0 HB2 GLU A 81 2.206 -2.068 -21.051 1.00 23.00 H new ATOM 0 HB3 GLU A 81 0.454 -2.083 -21.011 1.00 23.00 H new ATOM 0 HG2 GLU A 81 0.293 0.208 -20.655 1.00 53.41 H new ATOM 0 HG3 GLU A 81 1.871 0.317 -19.900 1.00 53.41 H new ATOM 1253 N ILE A 82 0.252 -4.247 -19.016 1.00 41.23 N ATOM 1254 CA ILE A 82 0.161 -5.700 -18.944 1.00 54.22 C ATOM 1255 C ILE A 82 -0.038 -6.307 -20.329 1.00 23.43 C ATOM 1256 O ILE A 82 -0.904 -5.876 -21.090 1.00 30.13 O ATOM 1257 CB ILE A 82 -0.995 -6.146 -18.030 1.00 32.44 C ATOM 1258 CG1 ILE A 82 -0.944 -5.390 -16.701 1.00 32.15 C ATOM 1259 CG2 ILE A 82 -0.934 -7.648 -17.793 1.00 62.14 C ATOM 1260 CD1 ILE A 82 0.322 -5.640 -15.912 1.00 1.45 C ATOM 0 H ILE A 82 -0.647 -3.771 -19.090 1.00 41.23 H new ATOM 0 HA ILE A 82 1.103 -6.056 -18.526 1.00 54.22 H new ATOM 0 HB ILE A 82 -1.939 -5.913 -18.523 1.00 32.44 H new ATOM 0 HG12 ILE A 82 -1.036 -4.322 -16.896 1.00 32.15 H new ATOM 0 HG13 ILE A 82 -1.803 -5.678 -16.095 1.00 32.15 H new ATOM 0 HG21 ILE A 82 -1.758 -7.948 -17.145 1.00 62.14 H new ATOM 0 HG22 ILE A 82 -1.014 -8.170 -18.746 1.00 62.14 H new ATOM 0 HG23 ILE A 82 0.013 -7.903 -17.317 1.00 62.14 H new ATOM 0 HD11 ILE A 82 0.289 -5.072 -14.982 1.00 1.45 H new ATOM 0 HD12 ILE A 82 0.406 -6.703 -15.685 1.00 1.45 H new ATOM 0 HD13 ILE A 82 1.185 -5.325 -16.499 1.00 1.45 H new ATOM 1272 N VAL A 83 0.770 -7.313 -20.649 1.00 22.42 N ATOM 1273 CA VAL A 83 0.682 -7.983 -21.941 1.00 20.43 C ATOM 1274 C VAL A 83 0.870 -9.489 -21.793 1.00 4.00 C ATOM 1275 O VAL A 83 1.514 -9.971 -20.861 1.00 1.45 O ATOM 1276 CB VAL A 83 1.732 -7.440 -22.928 1.00 24.15 C ATOM 1277 CG1 VAL A 83 1.407 -6.006 -23.318 1.00 62.42 C ATOM 1278 CG2 VAL A 83 3.127 -7.534 -22.326 1.00 74.33 C ATOM 0 H VAL A 83 1.493 -7.682 -20.031 1.00 22.42 H new ATOM 0 HA VAL A 83 -0.314 -7.781 -22.335 1.00 20.43 H new ATOM 0 HB VAL A 83 1.708 -8.051 -23.830 1.00 24.15 H new ATOM 0 HG11 VAL A 83 2.160 -5.639 -24.016 1.00 62.42 H new ATOM 0 HG12 VAL A 83 0.426 -5.971 -23.791 1.00 62.42 H new ATOM 0 HG13 VAL A 83 1.402 -5.379 -22.427 1.00 62.42 H new ATOM 0 HG21 VAL A 83 3.857 -7.146 -23.037 1.00 74.33 H new ATOM 0 HG22 VAL A 83 3.167 -6.948 -21.408 1.00 74.33 H new ATOM 0 HG23 VAL A 83 3.357 -8.576 -22.102 1.00 74.33 H new ATOM 1288 N PRO A 84 0.296 -10.252 -22.735 1.00 23.32 N ATOM 1289 CA PRO A 84 0.388 -11.715 -22.732 1.00 72.31 C ATOM 1290 C PRO A 84 1.795 -12.209 -23.051 1.00 10.30 C ATOM 1291 O PRO A 84 2.595 -11.489 -23.648 1.00 40.54 O ATOM 1292 CB PRO A 84 -0.588 -12.134 -23.835 1.00 11.33 C ATOM 1293 CG PRO A 84 -0.654 -10.959 -24.748 1.00 15.41 C ATOM 1294 CD PRO A 84 -0.486 -9.746 -23.875 1.00 2.20 C ATOM 0 HA PRO A 84 0.154 -12.135 -21.754 1.00 72.31 H new ATOM 0 HB2 PRO A 84 -0.236 -13.023 -24.358 1.00 11.33 H new ATOM 0 HB3 PRO A 84 -1.569 -12.373 -23.426 1.00 11.33 H new ATOM 0 HG2 PRO A 84 0.130 -11.008 -25.504 1.00 15.41 H new ATOM 0 HG3 PRO A 84 -1.606 -10.930 -25.278 1.00 15.41 H new ATOM 0 HD2 PRO A 84 0.037 -8.945 -24.397 1.00 2.20 H new ATOM 0 HD3 PRO A 84 -1.448 -9.344 -23.556 1.00 2.20 H new ATOM 1302 N ASP A 85 2.090 -13.440 -22.649 1.00 62.14 N ATOM 1303 CA ASP A 85 3.401 -14.030 -22.894 1.00 20.41 C ATOM 1304 C ASP A 85 3.392 -14.862 -24.173 1.00 24.44 C ATOM 1305 O ASP A 85 4.203 -14.645 -25.072 1.00 23.41 O ATOM 1306 CB ASP A 85 3.822 -14.900 -21.708 1.00 12.20 C ATOM 1307 CG ASP A 85 5.255 -15.380 -21.822 1.00 3.12 C ATOM 1308 OD1 ASP A 85 5.474 -16.459 -22.411 1.00 1.05 O ATOM 1309 OD2 ASP A 85 6.158 -14.677 -21.321 1.00 44.14 O ATOM 0 H ASP A 85 1.440 -14.049 -22.152 1.00 62.14 H new ATOM 0 HA ASP A 85 4.120 -13.220 -23.014 1.00 20.41 H new ATOM 0 HB2 ASP A 85 3.704 -14.332 -20.785 1.00 12.20 H new ATOM 0 HB3 ASP A 85 3.158 -15.761 -21.639 1.00 12.20 H new ATOM 1314 N GLY A 86 2.470 -15.817 -24.246 1.00 15.15 N ATOM 1315 CA GLY A 86 2.373 -16.668 -25.417 1.00 45.12 C ATOM 1316 C GLY A 86 1.615 -17.951 -25.141 1.00 42.02 C ATOM 1317 O GLY A 86 1.081 -18.573 -26.059 1.00 4.00 O ATOM 0 H GLY A 86 1.788 -16.016 -23.514 1.00 15.15 H new ATOM 0 HA2 GLY A 86 1.876 -16.122 -26.219 1.00 45.12 H new ATOM 0 HA3 GLY A 86 3.375 -16.911 -25.770 1.00 45.12 H new ATOM 1321 N GLU A 87 1.569 -18.349 -23.873 1.00 41.55 N ATOM 1322 CA GLU A 87 0.872 -19.568 -23.481 1.00 4.22 C ATOM 1323 C GLU A 87 -0.492 -19.245 -22.878 1.00 4.14 C ATOM 1324 O GLU A 87 -1.419 -20.050 -22.946 1.00 72.12 O ATOM 1325 CB GLU A 87 1.712 -20.360 -22.476 1.00 72.34 C ATOM 1326 CG GLU A 87 3.189 -20.418 -22.829 1.00 74.21 C ATOM 1327 CD GLU A 87 3.451 -21.164 -24.123 1.00 74.11 C ATOM 1328 OE1 GLU A 87 2.662 -22.074 -24.454 1.00 42.12 O ATOM 1329 OE2 GLU A 87 4.445 -20.837 -24.805 1.00 32.03 O ATOM 0 H GLU A 87 2.006 -17.845 -23.101 1.00 41.55 H new ATOM 0 HA GLU A 87 0.720 -20.173 -24.375 1.00 4.22 H new ATOM 0 HB2 GLU A 87 1.600 -19.912 -21.489 1.00 72.34 H new ATOM 0 HB3 GLU A 87 1.323 -21.376 -22.411 1.00 72.34 H new ATOM 0 HG2 GLU A 87 3.579 -19.404 -22.914 1.00 74.21 H new ATOM 0 HG3 GLU A 87 3.734 -20.902 -22.018 1.00 74.21 H new ATOM 1336 N GLY A 88 -0.605 -18.060 -22.285 1.00 42.35 N ATOM 1337 CA GLY A 88 -1.858 -17.651 -21.678 1.00 3.31 C ATOM 1338 C GLY A 88 -1.652 -16.759 -20.470 1.00 12.33 C ATOM 1339 O GLY A 88 -2.586 -16.106 -20.006 1.00 31.01 O ATOM 0 H GLY A 88 0.149 -17.376 -22.214 1.00 42.35 H new ATOM 0 HA2 GLY A 88 -2.461 -17.123 -22.417 1.00 3.31 H new ATOM 0 HA3 GLY A 88 -2.420 -18.536 -21.381 1.00 3.31 H new ATOM 1343 N ASN A 89 -0.426 -16.732 -19.958 1.00 0.23 N ATOM 1344 CA ASN A 89 -0.101 -15.915 -18.794 1.00 53.20 C ATOM 1345 C ASN A 89 0.272 -14.496 -19.213 1.00 14.24 C ATOM 1346 O ASN A 89 0.704 -14.264 -20.342 1.00 31.43 O ATOM 1347 CB ASN A 89 1.049 -16.545 -18.007 1.00 63.41 C ATOM 1348 CG ASN A 89 2.406 -16.198 -18.589 1.00 21.33 C ATOM 1349 OD1 ASN A 89 2.912 -15.093 -18.396 1.00 2.22 O ATOM 1350 ND2 ASN A 89 3.002 -17.144 -19.306 1.00 32.24 N ATOM 0 H ASN A 89 0.359 -17.266 -20.331 1.00 0.23 H new ATOM 0 HA ASN A 89 -0.984 -15.867 -18.157 1.00 53.20 H new ATOM 0 HB2 ASN A 89 1.004 -16.209 -16.971 1.00 63.41 H new ATOM 0 HB3 ASN A 89 0.928 -17.628 -17.996 1.00 63.41 H new ATOM 0 HD21 ASN A 89 3.916 -16.968 -19.722 1.00 32.24 H new ATOM 0 HD22 ASN A 89 2.545 -18.046 -19.440 1.00 32.24 H new ATOM 1357 N TRP A 90 0.102 -13.551 -18.295 1.00 52.22 N ATOM 1358 CA TRP A 90 0.421 -12.154 -18.569 1.00 21.12 C ATOM 1359 C TRP A 90 1.734 -11.756 -17.905 1.00 5.24 C ATOM 1360 O TRP A 90 2.247 -12.470 -17.042 1.00 21.21 O ATOM 1361 CB TRP A 90 -0.708 -11.246 -18.079 1.00 72.03 C ATOM 1362 CG TRP A 90 -2.045 -11.595 -18.660 1.00 50.02 C ATOM 1363 CD1 TRP A 90 -2.898 -12.570 -18.227 1.00 3.21 C ATOM 1364 CD2 TRP A 90 -2.681 -10.973 -19.782 1.00 2.51 C ATOM 1365 NE1 TRP A 90 -4.025 -12.591 -19.012 1.00 13.01 N ATOM 1366 CE2 TRP A 90 -3.917 -11.620 -19.972 1.00 72.32 C ATOM 1367 CE3 TRP A 90 -2.327 -9.930 -20.643 1.00 12.04 C ATOM 1368 CZ2 TRP A 90 -4.798 -11.259 -20.988 1.00 42.13 C ATOM 1369 CZ3 TRP A 90 -3.202 -9.573 -21.651 1.00 12.33 C ATOM 1370 CH2 TRP A 90 -4.426 -10.235 -21.816 1.00 40.14 C ATOM 0 H TRP A 90 -0.254 -13.726 -17.356 1.00 52.22 H new ATOM 0 HA TRP A 90 0.530 -12.037 -19.647 1.00 21.12 H new ATOM 0 HB2 TRP A 90 -0.766 -11.304 -16.992 1.00 72.03 H new ATOM 0 HB3 TRP A 90 -0.469 -10.213 -18.331 1.00 72.03 H new ATOM 0 HD1 TRP A 90 -2.713 -13.228 -17.390 1.00 3.21 H new ATOM 0 HE1 TRP A 90 -4.814 -13.227 -18.898 1.00 13.01 H new ATOM 0 HE3 TRP A 90 -1.387 -9.413 -20.522 1.00 12.04 H new ATOM 0 HZ2 TRP A 90 -5.741 -11.769 -21.118 1.00 42.13 H new ATOM 0 HZ3 TRP A 90 -2.938 -8.770 -22.323 1.00 12.33 H new ATOM 0 HH2 TRP A 90 -5.089 -9.931 -22.613 1.00 40.14 H new ATOM 1381 N LEU A 91 2.275 -10.612 -18.311 1.00 32.33 N ATOM 1382 CA LEU A 91 3.530 -10.119 -17.754 1.00 14.30 C ATOM 1383 C LEU A 91 3.586 -8.595 -17.805 1.00 61.30 C ATOM 1384 O LEU A 91 2.841 -7.962 -18.552 1.00 62.33 O ATOM 1385 CB LEU A 91 4.716 -10.710 -18.517 1.00 24.34 C ATOM 1386 CG LEU A 91 5.921 -11.122 -17.669 1.00 40.53 C ATOM 1387 CD1 LEU A 91 5.767 -12.554 -17.182 1.00 13.32 C ATOM 1388 CD2 LEU A 91 7.210 -10.962 -18.462 1.00 41.01 C ATOM 0 H LEU A 91 1.864 -10.009 -19.024 1.00 32.33 H new ATOM 0 HA LEU A 91 3.585 -10.432 -16.711 1.00 14.30 H new ATOM 0 HB2 LEU A 91 4.369 -11.584 -19.068 1.00 24.34 H new ATOM 0 HB3 LEU A 91 5.049 -9.979 -19.254 1.00 24.34 H new ATOM 0 HG LEU A 91 5.969 -10.468 -16.799 1.00 40.53 H new ATOM 0 HD11 LEU A 91 6.634 -12.829 -16.581 1.00 13.32 H new ATOM 0 HD12 LEU A 91 4.864 -12.637 -16.577 1.00 13.32 H new ATOM 0 HD13 LEU A 91 5.693 -13.224 -18.039 1.00 13.32 H new ATOM 0 HD21 LEU A 91 8.057 -11.259 -17.844 1.00 41.01 H new ATOM 0 HD22 LEU A 91 7.171 -11.592 -19.351 1.00 41.01 H new ATOM 0 HD23 LEU A 91 7.327 -9.920 -18.760 1.00 41.01 H new ATOM 1400 N GLU A 92 4.476 -8.014 -17.007 1.00 21.03 N ATOM 1401 CA GLU A 92 4.630 -6.565 -16.963 1.00 2.33 C ATOM 1402 C GLU A 92 5.412 -6.064 -18.174 1.00 0.33 C ATOM 1403 O GLU A 92 6.270 -6.768 -18.707 1.00 12.23 O ATOM 1404 CB GLU A 92 5.340 -6.144 -15.674 1.00 53.21 C ATOM 1405 CG GLU A 92 4.645 -6.625 -14.412 1.00 32.35 C ATOM 1406 CD GLU A 92 5.539 -6.553 -13.189 1.00 45.34 C ATOM 1407 OE1 GLU A 92 6.607 -7.201 -13.195 1.00 52.33 O ATOM 1408 OE2 GLU A 92 5.172 -5.847 -12.227 1.00 34.13 O ATOM 0 H GLU A 92 5.101 -8.524 -16.383 1.00 21.03 H new ATOM 0 HA GLU A 92 3.636 -6.119 -16.984 1.00 2.33 H new ATOM 0 HB2 GLU A 92 6.359 -6.531 -15.687 1.00 53.21 H new ATOM 0 HB3 GLU A 92 5.412 -5.057 -15.647 1.00 53.21 H new ATOM 0 HG2 GLU A 92 3.753 -6.022 -14.241 1.00 32.35 H new ATOM 0 HG3 GLU A 92 4.313 -7.653 -14.554 1.00 32.35 H new ATOM 1415 N ARG A 93 5.109 -4.843 -18.603 1.00 14.02 N ATOM 1416 CA ARG A 93 5.781 -4.248 -19.751 1.00 51.14 C ATOM 1417 C ARG A 93 5.866 -2.731 -19.606 1.00 72.30 C ATOM 1418 O ARG A 93 4.966 -1.993 -20.008 1.00 20.14 O ATOM 1419 CB ARG A 93 5.044 -4.607 -21.043 1.00 14.40 C ATOM 1420 CG ARG A 93 5.956 -4.722 -22.253 1.00 70.11 C ATOM 1421 CD ARG A 93 5.245 -4.299 -23.529 1.00 62.21 C ATOM 1422 NE ARG A 93 6.035 -4.599 -24.721 1.00 12.34 N ATOM 1423 CZ ARG A 93 7.136 -3.937 -25.058 1.00 52.42 C ATOM 1424 NH1 ARG A 93 7.575 -2.943 -24.298 1.00 62.11 N ATOM 1425 NH2 ARG A 93 7.800 -4.268 -26.158 1.00 20.31 N ATOM 0 H ARG A 93 4.402 -4.247 -18.172 1.00 14.02 H new ATOM 0 HA ARG A 93 6.794 -4.649 -19.795 1.00 51.14 H new ATOM 0 HB2 ARG A 93 4.521 -5.553 -20.902 1.00 14.40 H new ATOM 0 HB3 ARG A 93 4.286 -3.850 -21.241 1.00 14.40 H new ATOM 0 HG2 ARG A 93 6.839 -4.101 -22.104 1.00 70.11 H new ATOM 0 HG3 ARG A 93 6.303 -5.751 -22.352 1.00 70.11 H new ATOM 0 HD2 ARG A 93 4.283 -4.808 -23.594 1.00 62.21 H new ATOM 0 HD3 ARG A 93 5.038 -3.230 -23.491 1.00 62.21 H new ATOM 0 HE ARG A 93 5.724 -5.358 -25.327 1.00 12.34 H new ATOM 0 HH11 ARG A 93 7.067 -2.685 -23.452 1.00 62.11 H new ATOM 0 HH12 ARG A 93 8.421 -2.436 -24.559 1.00 62.11 H new ATOM 0 HH21 ARG A 93 7.465 -5.031 -26.746 1.00 20.31 H new ATOM 0 HH22 ARG A 93 8.645 -3.759 -26.416 1.00 20.31 H new ATOM 1439 N PRO A 94 6.973 -2.254 -19.018 1.00 34.15 N ATOM 1440 CA PRO A 94 7.202 -0.822 -18.805 1.00 54.24 C ATOM 1441 C PRO A 94 7.456 -0.076 -20.111 1.00 12.22 C ATOM 1442 O PRO A 94 8.562 -0.109 -20.650 1.00 41.41 O ATOM 1443 CB PRO A 94 8.449 -0.789 -17.919 1.00 64.53 C ATOM 1444 CG PRO A 94 9.159 -2.065 -18.217 1.00 71.15 C ATOM 1445 CD PRO A 94 8.086 -3.076 -18.514 1.00 60.03 C ATOM 0 HA PRO A 94 6.335 -0.332 -18.361 1.00 54.24 H new ATOM 0 HB2 PRO A 94 9.074 0.074 -18.147 1.00 64.53 H new ATOM 0 HB3 PRO A 94 8.183 -0.721 -16.864 1.00 64.53 H new ATOM 0 HG2 PRO A 94 9.831 -1.948 -19.067 1.00 71.15 H new ATOM 0 HG3 PRO A 94 9.768 -2.380 -17.370 1.00 71.15 H new ATOM 0 HD2 PRO A 94 8.415 -3.805 -19.255 1.00 60.03 H new ATOM 0 HD3 PRO A 94 7.802 -3.634 -17.622 1.00 60.03 H new ATOM 1453 N ARG A 95 6.425 0.596 -20.613 1.00 42.23 N ATOM 1454 CA ARG A 95 6.537 1.350 -21.856 1.00 65.23 C ATOM 1455 C ARG A 95 6.552 2.851 -21.583 1.00 32.14 C ATOM 1456 O ARG A 95 5.868 3.334 -20.680 1.00 23.10 O ATOM 1457 CB ARG A 95 5.380 1.003 -22.794 1.00 60.34 C ATOM 1458 CG ARG A 95 5.629 -0.239 -23.635 1.00 51.34 C ATOM 1459 CD ARG A 95 4.830 -0.205 -24.929 1.00 3.40 C ATOM 1460 NE ARG A 95 5.236 0.900 -25.794 1.00 24.20 N ATOM 1461 CZ ARG A 95 4.884 1.001 -27.071 1.00 10.33 C ATOM 1462 NH1 ARG A 95 4.122 0.070 -27.628 1.00 21.14 N ATOM 1463 NH2 ARG A 95 5.293 2.036 -27.793 1.00 43.30 N ATOM 0 H ARG A 95 5.503 0.634 -20.178 1.00 42.23 H new ATOM 0 HA ARG A 95 7.478 1.076 -22.334 1.00 65.23 H new ATOM 0 HB2 ARG A 95 4.476 0.856 -22.203 1.00 60.34 H new ATOM 0 HB3 ARG A 95 5.194 1.849 -23.456 1.00 60.34 H new ATOM 0 HG2 ARG A 95 6.692 -0.317 -23.864 1.00 51.34 H new ATOM 0 HG3 ARG A 95 5.360 -1.127 -23.063 1.00 51.34 H new ATOM 0 HD2 ARG A 95 4.960 -1.148 -25.460 1.00 3.40 H new ATOM 0 HD3 ARG A 95 3.769 -0.113 -24.698 1.00 3.40 H new ATOM 0 HE ARG A 95 5.822 1.634 -25.396 1.00 24.20 H new ATOM 0 HH11 ARG A 95 3.804 -0.727 -27.076 1.00 21.14 H new ATOM 0 HH12 ARG A 95 3.853 0.150 -28.609 1.00 21.14 H new ATOM 0 HH21 ARG A 95 5.878 2.755 -27.368 1.00 43.30 H new ATOM 0 HH22 ARG A 95 5.022 2.113 -28.773 1.00 43.30 H new ATOM 1477 N SER A 96 7.336 3.583 -22.368 1.00 33.13 N ATOM 1478 CA SER A 96 7.443 5.028 -22.207 1.00 53.33 C ATOM 1479 C SER A 96 6.731 5.755 -23.344 1.00 54.21 C ATOM 1480 O SER A 96 7.056 5.568 -24.517 1.00 64.21 O ATOM 1481 CB SER A 96 8.912 5.450 -22.159 1.00 25.02 C ATOM 1482 OG SER A 96 9.769 4.322 -22.217 1.00 53.30 O ATOM 0 H SER A 96 7.906 3.199 -23.122 1.00 33.13 H new ATOM 0 HA SER A 96 6.963 5.300 -21.267 1.00 53.33 H new ATOM 0 HB2 SER A 96 9.129 6.119 -22.992 1.00 25.02 H new ATOM 0 HB3 SER A 96 9.103 6.009 -21.243 1.00 25.02 H new ATOM 0 HG SER A 96 10.703 4.619 -22.186 1.00 53.30 H new ATOM 1488 N LEU A 97 5.757 6.585 -22.988 1.00 55.44 N ATOM 1489 CA LEU A 97 4.997 7.342 -23.978 1.00 34.14 C ATOM 1490 C LEU A 97 5.573 8.743 -24.152 1.00 2.32 C ATOM 1491 O LEU A 97 5.390 9.613 -23.299 1.00 55.04 O ATOM 1492 CB LEU A 97 3.527 7.431 -23.562 1.00 22.31 C ATOM 1493 CG LEU A 97 2.942 6.186 -22.893 1.00 44.04 C ATOM 1494 CD1 LEU A 97 1.452 6.362 -22.650 1.00 35.42 C ATOM 1495 CD2 LEU A 97 3.204 4.951 -23.744 1.00 10.34 C ATOM 0 H LEU A 97 5.475 6.751 -22.022 1.00 55.44 H new ATOM 0 HA LEU A 97 5.068 6.819 -24.932 1.00 34.14 H new ATOM 0 HB2 LEU A 97 3.414 8.273 -22.879 1.00 22.31 H new ATOM 0 HB3 LEU A 97 2.933 7.656 -24.447 1.00 22.31 H new ATOM 0 HG LEU A 97 3.433 6.049 -21.929 1.00 44.04 H new ATOM 0 HD11 LEU A 97 1.053 5.467 -22.174 1.00 35.42 H new ATOM 0 HD12 LEU A 97 1.288 7.222 -22.001 1.00 35.42 H new ATOM 0 HD13 LEU A 97 0.945 6.524 -23.601 1.00 35.42 H new ATOM 0 HD21 LEU A 97 2.781 4.074 -23.253 1.00 10.34 H new ATOM 0 HD22 LEU A 97 2.740 5.078 -24.722 1.00 10.34 H new ATOM 0 HD23 LEU A 97 4.278 4.815 -23.867 1.00 10.34 H new ATOM 1507 N THR A 98 6.270 8.957 -25.264 1.00 23.04 N ATOM 1508 CA THR A 98 6.873 10.253 -25.551 1.00 32.52 C ATOM 1509 C THR A 98 5.876 11.183 -26.232 1.00 44.41 C ATOM 1510 O THR A 98 4.861 10.737 -26.769 1.00 4.40 O ATOM 1511 CB THR A 98 8.117 10.107 -26.447 1.00 5.05 C ATOM 1512 OG1 THR A 98 7.727 9.724 -27.770 1.00 13.32 O ATOM 1513 CG2 THR A 98 9.077 9.073 -25.876 1.00 74.05 C ATOM 0 H THR A 98 6.431 8.249 -25.981 1.00 23.04 H new ATOM 0 HA THR A 98 7.172 10.682 -24.595 1.00 32.52 H new ATOM 0 HB THR A 98 8.625 11.071 -26.484 1.00 5.05 H new ATOM 0 HG1 THR A 98 8.524 9.635 -28.333 1.00 13.32 H new ATOM 0 HG21 THR A 98 9.948 8.987 -26.526 1.00 74.05 H new ATOM 0 HG22 THR A 98 9.396 9.383 -24.881 1.00 74.05 H new ATOM 0 HG23 THR A 98 8.576 8.107 -25.812 1.00 74.05 H new ATOM 1521 N LEU A 99 6.172 12.478 -26.208 1.00 51.30 N ATOM 1522 CA LEU A 99 5.301 13.473 -26.825 1.00 4.31 C ATOM 1523 C LEU A 99 4.964 13.086 -28.261 1.00 51.11 C ATOM 1524 O LEU A 99 5.830 12.643 -29.016 1.00 74.01 O ATOM 1525 CB LEU A 99 5.969 14.850 -26.799 1.00 74.50 C ATOM 1526 CG LEU A 99 5.031 16.047 -26.639 1.00 62.01 C ATOM 1527 CD1 LEU A 99 4.984 16.497 -25.187 1.00 54.54 C ATOM 1528 CD2 LEU A 99 5.470 17.192 -27.541 1.00 31.24 C ATOM 0 H LEU A 99 7.008 12.864 -25.768 1.00 51.30 H new ATOM 0 HA LEU A 99 4.374 13.514 -26.252 1.00 4.31 H new ATOM 0 HB2 LEU A 99 6.690 14.867 -25.982 1.00 74.50 H new ATOM 0 HB3 LEU A 99 6.532 14.976 -27.724 1.00 74.50 H new ATOM 0 HG LEU A 99 4.028 15.741 -26.936 1.00 62.01 H new ATOM 0 HD11 LEU A 99 4.312 17.350 -25.092 1.00 54.54 H new ATOM 0 HD12 LEU A 99 4.623 15.679 -24.564 1.00 54.54 H new ATOM 0 HD13 LEU A 99 5.984 16.785 -24.863 1.00 54.54 H new ATOM 0 HD21 LEU A 99 4.791 18.036 -27.414 1.00 31.24 H new ATOM 0 HD22 LEU A 99 6.482 17.497 -27.275 1.00 31.24 H new ATOM 0 HD23 LEU A 99 5.451 16.864 -28.580 1.00 31.24 H new