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 -107:sc= -5.22! (180deg=-6.8!) USER MOD Set 1.2: A 36 THR OG1 : rot -150:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 15:sc= 0.761! USER MOD Single : A 39 ASN : amide:sc= -3.09 K(o=-3.1,f=-5.2!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) 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= -2.53 K(o=-2.5,f=-6.4!) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.022 USER MOD Single : A 65 ASN : amide:sc=-0.00669 K(o=-0.0067,f=-0.55) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -160:sc= -0.527 USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= -0.105 (180deg=-0.729) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.365 F(o=-2.3,f=-0.37) 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 -12.413 3.734 -17.576 1.00 14.25 N ATOM 360 CA PHE A 22 -12.943 4.272 -18.823 1.00 63.14 C ATOM 361 C PHE A 22 -11.869 4.286 -19.908 1.00 15.30 C ATOM 362 O PHE A 22 -12.151 4.028 -21.079 1.00 45.22 O ATOM 363 CB PHE A 22 -13.483 5.687 -18.605 1.00 65.14 C ATOM 364 CG PHE A 22 -13.833 6.398 -19.881 1.00 43.12 C ATOM 365 CD1 PHE A 22 -14.888 5.961 -20.666 1.00 44.31 C ATOM 366 CD2 PHE A 22 -13.107 7.504 -20.295 1.00 74.42 C ATOM 367 CE1 PHE A 22 -15.211 6.613 -21.841 1.00 13.51 C ATOM 368 CE2 PHE A 22 -13.427 8.160 -21.469 1.00 3.22 C ATOM 369 CZ PHE A 22 -14.481 7.715 -22.242 1.00 61.11 C ATOM 0 HA PHE A 22 -13.758 3.627 -19.151 1.00 63.14 H new ATOM 0 HB2 PHE A 22 -14.369 5.636 -17.972 1.00 65.14 H new ATOM 0 HB3 PHE A 22 -12.739 6.272 -18.065 1.00 65.14 H new ATOM 0 HD1 PHE A 22 -15.464 5.102 -20.356 1.00 44.31 H new ATOM 0 HD2 PHE A 22 -12.282 7.857 -19.694 1.00 74.42 H new ATOM 0 HE1 PHE A 22 -16.034 6.261 -22.445 1.00 13.51 H new ATOM 0 HE2 PHE A 22 -12.853 9.020 -21.781 1.00 3.22 H new ATOM 0 HZ PHE A 22 -14.734 8.228 -23.158 1.00 61.11 H new ATOM 379 N LEU A 23 -10.639 4.590 -19.510 1.00 51.31 N ATOM 380 CA LEU A 23 -9.522 4.639 -20.447 1.00 51.42 C ATOM 381 C LEU A 23 -8.984 3.240 -20.727 1.00 73.21 C ATOM 382 O LEU A 23 -8.259 3.026 -21.698 1.00 53.42 O ATOM 383 CB LEU A 23 -8.405 5.526 -19.894 1.00 12.21 C ATOM 384 CG LEU A 23 -8.787 6.975 -19.589 1.00 13.01 C ATOM 385 CD1 LEU A 23 -9.685 7.532 -20.683 1.00 21.11 C ATOM 386 CD2 LEU A 23 -9.472 7.072 -18.234 1.00 34.15 C ATOM 0 H LEU A 23 -10.390 4.806 -18.545 1.00 51.31 H new ATOM 0 HA LEU A 23 -9.884 5.063 -21.384 1.00 51.42 H new ATOM 0 HB2 LEU A 23 -8.026 5.071 -18.979 1.00 12.21 H new ATOM 0 HB3 LEU A 23 -7.584 5.531 -20.611 1.00 12.21 H new ATOM 0 HG LEU A 23 -7.875 7.572 -19.557 1.00 13.01 H new ATOM 0 HD11 LEU A 23 -9.947 8.564 -20.449 1.00 21.11 H new ATOM 0 HD12 LEU A 23 -9.159 7.498 -21.637 1.00 21.11 H new ATOM 0 HD13 LEU A 23 -10.594 6.933 -20.748 1.00 21.11 H new ATOM 0 HD21 LEU A 23 -9.737 8.110 -18.034 1.00 34.15 H new ATOM 0 HD22 LEU A 23 -10.375 6.462 -18.238 1.00 34.15 H new ATOM 0 HD23 LEU A 23 -8.796 6.714 -17.458 1.00 34.15 H new ATOM 398 N GLU A 24 -9.347 2.290 -19.871 1.00 25.24 N ATOM 399 CA GLU A 24 -8.901 0.910 -20.028 1.00 2.34 C ATOM 400 C GLU A 24 -9.683 0.208 -21.134 1.00 40.40 C ATOM 401 O GLU A 24 -9.395 -0.935 -21.483 1.00 63.43 O ATOM 402 CB GLU A 24 -9.061 0.146 -18.711 1.00 42.45 C ATOM 403 CG GLU A 24 -7.791 0.098 -17.878 1.00 35.03 C ATOM 404 CD GLU A 24 -7.909 -0.838 -16.691 1.00 24.34 C ATOM 405 OE1 GLU A 24 -8.129 -2.048 -16.908 1.00 14.12 O ATOM 406 OE2 GLU A 24 -7.779 -0.360 -15.544 1.00 31.40 O ATOM 0 H GLU A 24 -9.948 2.450 -19.063 1.00 25.24 H new ATOM 0 HA GLU A 24 -7.847 0.925 -20.305 1.00 2.34 H new ATOM 0 HB2 GLU A 24 -9.853 0.612 -18.124 1.00 42.45 H new ATOM 0 HB3 GLU A 24 -9.382 -0.873 -18.928 1.00 42.45 H new ATOM 0 HG2 GLU A 24 -6.960 -0.221 -18.507 1.00 35.03 H new ATOM 0 HG3 GLU A 24 -7.555 1.101 -17.523 1.00 35.03 H new ATOM 413 N GLY A 25 -10.676 0.903 -21.681 1.00 43.35 N ATOM 414 CA GLY A 25 -11.485 0.331 -22.742 1.00 1.53 C ATOM 415 C GLY A 25 -11.020 0.758 -24.120 1.00 55.40 C ATOM 416 O GLY A 25 -11.662 0.446 -25.124 1.00 24.14 O ATOM 0 H GLY A 25 -10.935 1.851 -21.409 1.00 43.35 H new ATOM 0 HA2 GLY A 25 -11.454 -0.756 -22.672 1.00 1.53 H new ATOM 0 HA3 GLY A 25 -12.524 0.630 -22.604 1.00 1.53 H new ATOM 420 N PHE A 26 -9.903 1.476 -24.170 1.00 53.32 N ATOM 421 CA PHE A 26 -9.355 1.949 -25.436 1.00 1.52 C ATOM 422 C PHE A 26 -7.911 1.487 -25.610 1.00 32.02 C ATOM 423 O PHE A 26 -7.202 1.252 -24.633 1.00 4.23 O ATOM 424 CB PHE A 26 -9.425 3.476 -25.508 1.00 13.24 C ATOM 425 CG PHE A 26 -10.801 4.025 -25.256 1.00 44.33 C ATOM 426 CD1 PHE A 26 -11.755 4.024 -26.260 1.00 55.13 C ATOM 427 CD2 PHE A 26 -11.139 4.542 -24.016 1.00 43.20 C ATOM 428 CE1 PHE A 26 -13.021 4.529 -26.032 1.00 14.41 C ATOM 429 CE2 PHE A 26 -12.403 5.049 -23.782 1.00 33.45 C ATOM 430 CZ PHE A 26 -13.346 5.041 -24.791 1.00 11.23 C ATOM 0 H PHE A 26 -9.360 1.743 -23.349 1.00 53.32 H new ATOM 0 HA PHE A 26 -9.954 1.526 -26.243 1.00 1.52 H new ATOM 0 HB2 PHE A 26 -8.735 3.898 -24.778 1.00 13.24 H new ATOM 0 HB3 PHE A 26 -9.087 3.801 -26.492 1.00 13.24 H new ATOM 0 HD1 PHE A 26 -11.507 3.624 -27.232 1.00 55.13 H new ATOM 0 HD2 PHE A 26 -10.406 4.549 -23.223 1.00 43.20 H new ATOM 0 HE1 PHE A 26 -13.756 4.523 -26.824 1.00 14.41 H new ATOM 0 HE2 PHE A 26 -12.653 5.451 -22.811 1.00 33.45 H new ATOM 0 HZ PHE A 26 -14.335 5.434 -24.610 1.00 11.23 H new ATOM 440 N ASN A 27 -7.484 1.358 -26.862 1.00 12.12 N ATOM 441 CA ASN A 27 -6.126 0.923 -27.165 1.00 62.50 C ATOM 442 C ASN A 27 -5.101 1.796 -26.447 1.00 35.11 C ATOM 443 O ASN A 27 -5.425 2.883 -25.968 1.00 41.45 O ATOM 444 CB ASN A 27 -5.879 0.964 -28.675 1.00 15.55 C ATOM 445 CG ASN A 27 -6.069 -0.390 -29.329 1.00 61.31 C ATOM 446 OD1 ASN A 27 -7.138 -0.692 -29.860 1.00 11.42 O ATOM 447 ND2 ASN A 27 -5.029 -1.215 -29.294 1.00 4.12 N ATOM 0 H ASN A 27 -8.059 1.549 -27.683 1.00 12.12 H new ATOM 0 HA ASN A 27 -6.014 -0.102 -26.813 1.00 62.50 H new ATOM 0 HB2 ASN A 27 -6.558 1.684 -29.132 1.00 15.55 H new ATOM 0 HB3 ASN A 27 -4.865 1.317 -28.865 1.00 15.55 H new ATOM 0 HD21 ASN A 27 -5.097 -2.140 -29.718 1.00 4.12 H new ATOM 0 HD22 ASN A 27 -4.162 -0.923 -28.843 1.00 4.12 H new ATOM 454 N ILE A 28 -3.866 1.312 -26.376 1.00 42.53 N ATOM 455 CA ILE A 28 -2.794 2.050 -25.718 1.00 72.44 C ATOM 456 C ILE A 28 -2.039 2.925 -26.712 1.00 42.43 C ATOM 457 O ILE A 28 -1.408 3.911 -26.331 1.00 61.41 O ATOM 458 CB ILE A 28 -1.798 1.099 -25.029 1.00 30.14 C ATOM 459 CG1 ILE A 28 -0.808 1.894 -24.175 1.00 41.22 C ATOM 460 CG2 ILE A 28 -1.061 0.262 -26.064 1.00 2.35 C ATOM 461 CD1 ILE A 28 -1.462 2.658 -23.045 1.00 22.11 C ATOM 0 H ILE A 28 -3.582 0.413 -26.765 1.00 42.53 H new ATOM 0 HA ILE A 28 -3.262 2.682 -24.964 1.00 72.44 H new ATOM 0 HB ILE A 28 -2.354 0.426 -24.376 1.00 30.14 H new ATOM 0 HG12 ILE A 28 -0.068 1.210 -23.760 1.00 41.22 H new ATOM 0 HG13 ILE A 28 -0.271 2.595 -24.814 1.00 41.22 H new ATOM 0 HG21 ILE A 28 -0.361 -0.405 -25.561 1.00 2.35 H new ATOM 0 HG22 ILE A 28 -1.779 -0.328 -26.633 1.00 2.35 H new ATOM 0 HG23 ILE A 28 -0.514 0.919 -26.741 1.00 2.35 H new ATOM 0 HD11 ILE A 28 -0.700 3.198 -22.482 1.00 22.11 H new ATOM 0 HD12 ILE A 28 -2.182 3.367 -23.454 1.00 22.11 H new ATOM 0 HD13 ILE A 28 -1.976 1.960 -22.383 1.00 22.11 H new ATOM 473 N GLU A 29 -2.110 2.559 -27.988 1.00 44.44 N ATOM 474 CA GLU A 29 -1.433 3.313 -29.037 1.00 43.12 C ATOM 475 C GLU A 29 -2.280 4.500 -29.488 1.00 21.25 C ATOM 476 O GLU A 29 -1.754 5.518 -29.938 1.00 40.13 O ATOM 477 CB GLU A 29 -1.129 2.407 -30.232 1.00 24.10 C ATOM 478 CG GLU A 29 -2.348 1.675 -30.767 1.00 11.21 C ATOM 479 CD GLU A 29 -2.370 1.608 -32.282 1.00 14.24 C ATOM 480 OE1 GLU A 29 -2.119 2.648 -32.926 1.00 25.32 O ATOM 481 OE2 GLU A 29 -2.640 0.515 -32.823 1.00 3.15 O ATOM 0 H GLU A 29 -2.629 1.746 -28.320 1.00 44.44 H new ATOM 0 HA GLU A 29 -0.496 3.692 -28.629 1.00 43.12 H new ATOM 0 HB2 GLU A 29 -0.697 3.008 -31.032 1.00 24.10 H new ATOM 0 HB3 GLU A 29 -0.376 1.675 -29.940 1.00 24.10 H new ATOM 0 HG2 GLU A 29 -2.366 0.663 -30.362 1.00 11.21 H new ATOM 0 HG3 GLU A 29 -3.251 2.175 -30.416 1.00 11.21 H new ATOM 488 N THR A 30 -3.596 4.361 -29.363 1.00 32.02 N ATOM 489 CA THR A 30 -4.517 5.419 -29.758 1.00 12.21 C ATOM 490 C THR A 30 -4.279 6.687 -28.945 1.00 72.15 C ATOM 491 O THR A 30 -4.660 7.782 -29.360 1.00 4.24 O ATOM 492 CB THR A 30 -5.984 4.981 -29.586 1.00 63.30 C ATOM 493 OG1 THR A 30 -6.862 6.037 -29.991 1.00 64.13 O ATOM 494 CG2 THR A 30 -6.270 4.603 -28.140 1.00 42.24 C ATOM 0 H THR A 30 -4.048 3.526 -28.991 1.00 32.02 H new ATOM 0 HA THR A 30 -4.328 5.625 -30.812 1.00 12.21 H new ATOM 0 HB THR A 30 -6.155 4.107 -30.214 1.00 63.30 H new ATOM 0 HG1 THR A 30 -7.792 5.750 -29.880 1.00 64.13 H new ATOM 0 HG21 THR A 30 -7.312 4.297 -28.043 1.00 42.24 H new ATOM 0 HG22 THR A 30 -5.621 3.779 -27.844 1.00 42.24 H new ATOM 0 HG23 THR A 30 -6.083 5.462 -27.496 1.00 42.24 H new ATOM 502 N PHE A 31 -3.647 6.532 -27.787 1.00 21.30 N ATOM 503 CA PHE A 31 -3.358 7.665 -26.916 1.00 32.12 C ATOM 504 C PHE A 31 -2.126 8.424 -27.400 1.00 71.54 C ATOM 505 O PHE A 31 -1.247 7.852 -28.045 1.00 0.25 O ATOM 506 CB PHE A 31 -3.145 7.188 -25.478 1.00 4.34 C ATOM 507 CG PHE A 31 -4.298 6.397 -24.931 1.00 14.44 C ATOM 508 CD1 PHE A 31 -5.603 6.741 -25.247 1.00 22.21 C ATOM 509 CD2 PHE A 31 -4.078 5.311 -24.099 1.00 74.25 C ATOM 510 CE1 PHE A 31 -6.667 6.015 -24.746 1.00 21.15 C ATOM 511 CE2 PHE A 31 -5.138 4.581 -23.595 1.00 73.15 C ATOM 512 CZ PHE A 31 -6.434 4.934 -23.918 1.00 11.11 C ATOM 0 H PHE A 31 -3.325 5.633 -27.430 1.00 21.30 H new ATOM 0 HA PHE A 31 -4.213 8.341 -26.945 1.00 32.12 H new ATOM 0 HB2 PHE A 31 -2.243 6.577 -25.436 1.00 4.34 H new ATOM 0 HB3 PHE A 31 -2.973 8.054 -24.838 1.00 4.34 H new ATOM 0 HD1 PHE A 31 -5.791 7.586 -25.892 1.00 22.21 H new ATOM 0 HD2 PHE A 31 -3.067 5.032 -23.841 1.00 74.25 H new ATOM 0 HE1 PHE A 31 -7.679 6.292 -25.001 1.00 21.15 H new ATOM 0 HE2 PHE A 31 -4.953 3.735 -22.949 1.00 73.15 H new ATOM 0 HZ PHE A 31 -7.264 4.366 -23.524 1.00 11.11 H new ATOM 522 N GLU A 32 -2.071 9.714 -27.086 1.00 33.02 N ATOM 523 CA GLU A 32 -0.948 10.551 -27.491 1.00 10.15 C ATOM 524 C GLU A 32 -0.454 11.400 -26.323 1.00 25.23 C ATOM 525 O GLU A 32 -1.195 12.217 -25.778 1.00 32.22 O ATOM 526 CB GLU A 32 -1.351 11.455 -28.657 1.00 53.13 C ATOM 527 CG GLU A 32 -1.692 10.694 -29.927 1.00 61.15 C ATOM 528 CD GLU A 32 -0.773 11.045 -31.082 1.00 33.42 C ATOM 529 OE1 GLU A 32 0.404 10.629 -31.052 1.00 34.33 O ATOM 530 OE2 GLU A 32 -1.232 11.735 -32.016 1.00 14.22 O ATOM 0 H GLU A 32 -2.791 10.202 -26.553 1.00 33.02 H new ATOM 0 HA GLU A 32 -0.137 9.897 -27.811 1.00 10.15 H new ATOM 0 HB2 GLU A 32 -2.212 12.054 -28.360 1.00 53.13 H new ATOM 0 HB3 GLU A 32 -0.537 12.148 -28.867 1.00 53.13 H new ATOM 0 HG2 GLU A 32 -1.632 9.623 -29.732 1.00 61.15 H new ATOM 0 HG3 GLU A 32 -2.723 10.909 -30.209 1.00 61.15 H new ATOM 537 N MET A 33 0.804 11.199 -25.944 1.00 24.01 N ATOM 538 CA MET A 33 1.399 11.946 -24.841 1.00 74.13 C ATOM 539 C MET A 33 1.208 13.447 -25.036 1.00 72.31 C ATOM 540 O MET A 33 1.653 14.015 -26.034 1.00 35.24 O ATOM 541 CB MET A 33 2.889 11.621 -24.721 1.00 72.34 C ATOM 542 CG MET A 33 3.630 12.519 -23.744 1.00 70.41 C ATOM 543 SD MET A 33 5.370 12.076 -23.577 1.00 51.20 S ATOM 544 CE MET A 33 5.761 12.830 -22.000 1.00 31.42 C ATOM 0 H MET A 33 1.431 10.525 -26.384 1.00 24.01 H new ATOM 0 HA MET A 33 0.895 11.650 -23.921 1.00 74.13 H new ATOM 0 HB2 MET A 33 3.002 10.584 -24.406 1.00 72.34 H new ATOM 0 HB3 MET A 33 3.352 11.708 -25.704 1.00 72.34 H new ATOM 0 HG2 MET A 33 3.553 13.554 -24.077 1.00 70.41 H new ATOM 0 HG3 MET A 33 3.149 12.462 -22.767 1.00 70.41 H new ATOM 0 HE1 MET A 33 6.378 13.714 -22.162 1.00 31.42 H new ATOM 0 HE2 MET A 33 4.839 13.119 -21.496 1.00 31.42 H new ATOM 0 HE3 MET A 33 6.304 12.117 -21.380 1.00 31.42 H new ATOM 554 N VAL A 34 0.543 14.084 -24.077 1.00 65.20 N ATOM 555 CA VAL A 34 0.295 15.519 -24.143 1.00 74.11 C ATOM 556 C VAL A 34 1.391 16.300 -23.428 1.00 44.25 C ATOM 557 O VAL A 34 2.015 17.188 -24.009 1.00 72.20 O ATOM 558 CB VAL A 34 -1.067 15.882 -23.521 1.00 72.55 C ATOM 559 CG1 VAL A 34 -1.279 17.388 -23.540 1.00 61.35 C ATOM 560 CG2 VAL A 34 -2.193 15.167 -24.253 1.00 55.32 C ATOM 0 H VAL A 34 0.167 13.629 -23.246 1.00 65.20 H new ATOM 0 HA VAL A 34 0.289 15.791 -25.199 1.00 74.11 H new ATOM 0 HB VAL A 34 -1.072 15.552 -22.482 1.00 72.55 H new ATOM 0 HG11 VAL A 34 -2.246 17.625 -23.097 1.00 61.35 H new ATOM 0 HG12 VAL A 34 -0.489 17.874 -22.968 1.00 61.35 H new ATOM 0 HG13 VAL A 34 -1.254 17.746 -24.569 1.00 61.35 H new ATOM 0 HG21 VAL A 34 -3.148 15.434 -23.801 1.00 55.32 H new ATOM 0 HG22 VAL A 34 -2.192 15.464 -25.302 1.00 55.32 H new ATOM 0 HG23 VAL A 34 -2.047 14.089 -24.181 1.00 55.32 H new ATOM 570 N GLY A 35 1.622 15.963 -22.163 1.00 43.21 N ATOM 571 CA GLY A 35 2.645 16.643 -21.389 1.00 72.42 C ATOM 572 C GLY A 35 3.131 15.814 -20.217 1.00 22.21 C ATOM 573 O GLY A 35 2.758 14.649 -20.072 1.00 40.21 O ATOM 0 H GLY A 35 1.119 15.232 -21.660 1.00 43.21 H new ATOM 0 HA2 GLY A 35 3.489 16.881 -22.037 1.00 72.42 H new ATOM 0 HA3 GLY A 35 2.249 17.590 -21.021 1.00 72.42 H new ATOM 577 N THR A 36 3.969 16.414 -19.377 1.00 32.12 N ATOM 578 CA THR A 36 4.509 15.723 -18.213 1.00 5.21 C ATOM 579 C THR A 36 4.748 16.692 -17.060 1.00 63.14 C ATOM 580 O THR A 36 5.237 17.804 -17.262 1.00 44.31 O ATOM 581 CB THR A 36 5.831 15.007 -18.549 1.00 21.33 C ATOM 582 OG1 THR A 36 6.459 15.638 -19.670 1.00 62.42 O ATOM 583 CG2 THR A 36 5.587 13.537 -18.858 1.00 53.52 C ATOM 0 H THR A 36 4.288 17.377 -19.481 1.00 32.12 H new ATOM 0 HA THR A 36 3.768 14.982 -17.913 1.00 5.21 H new ATOM 0 HB THR A 36 6.486 15.075 -17.681 1.00 21.33 H new ATOM 0 HG1 THR A 36 6.981 14.975 -20.169 1.00 62.42 H new ATOM 0 HG21 THR A 36 6.535 13.052 -19.092 1.00 53.52 H new ATOM 0 HG22 THR A 36 5.136 13.053 -17.992 1.00 53.52 H new ATOM 0 HG23 THR A 36 4.915 13.451 -19.712 1.00 53.52 H new ATOM 591 N LEU A 37 4.401 16.263 -15.852 1.00 3.20 N ATOM 592 CA LEU A 37 4.579 17.093 -14.665 1.00 50.15 C ATOM 593 C LEU A 37 5.625 16.492 -13.732 1.00 34.22 C ATOM 594 O LEU A 37 5.683 15.276 -13.550 1.00 33.32 O ATOM 595 CB LEU A 37 3.249 17.252 -13.926 1.00 63.40 C ATOM 596 CG LEU A 37 3.228 18.281 -12.796 1.00 5.04 C ATOM 597 CD1 LEU A 37 3.897 17.720 -11.550 1.00 61.13 C ATOM 598 CD2 LEU A 37 3.910 19.569 -13.235 1.00 13.04 C ATOM 0 H LEU A 37 3.995 15.346 -15.668 1.00 3.20 H new ATOM 0 HA LEU A 37 4.928 18.074 -14.987 1.00 50.15 H new ATOM 0 HB2 LEU A 37 2.483 17.524 -14.652 1.00 63.40 H new ATOM 0 HB3 LEU A 37 2.967 16.283 -13.513 1.00 63.40 H new ATOM 0 HG LEU A 37 2.189 18.507 -12.555 1.00 5.04 H new ATOM 0 HD11 LEU A 37 3.872 18.467 -10.756 1.00 61.13 H new ATOM 0 HD12 LEU A 37 3.366 16.826 -11.223 1.00 61.13 H new ATOM 0 HD13 LEU A 37 4.932 17.465 -11.776 1.00 61.13 H new ATOM 0 HD21 LEU A 37 3.886 20.290 -12.418 1.00 13.04 H new ATOM 0 HD22 LEU A 37 4.945 19.359 -13.503 1.00 13.04 H new ATOM 0 HD23 LEU A 37 3.388 19.981 -14.098 1.00 13.04 H new ATOM 610 N SER A 38 6.448 17.352 -13.141 1.00 14.10 N ATOM 611 CA SER A 38 7.492 16.906 -12.227 1.00 24.21 C ATOM 612 C SER A 38 7.678 17.902 -11.086 1.00 61.22 C ATOM 613 O SER A 38 8.050 19.053 -11.308 1.00 3.33 O ATOM 614 CB SER A 38 8.812 16.722 -12.978 1.00 63.42 C ATOM 615 OG SER A 38 9.440 17.969 -13.220 1.00 21.04 O ATOM 0 H SER A 38 6.412 18.362 -13.279 1.00 14.10 H new ATOM 0 HA SER A 38 7.186 15.949 -11.804 1.00 24.21 H new ATOM 0 HB2 SER A 38 9.478 16.083 -12.398 1.00 63.42 H new ATOM 0 HB3 SER A 38 8.627 16.215 -13.925 1.00 63.42 H new ATOM 0 HG SER A 38 9.032 18.656 -12.652 1.00 21.04 H new ATOM 621 N ASN A 39 7.416 17.449 -9.865 1.00 34.43 N ATOM 622 CA ASN A 39 7.553 18.299 -8.688 1.00 12.20 C ATOM 623 C ASN A 39 7.809 17.462 -7.438 1.00 52.15 C ATOM 624 O ASN A 39 8.058 16.260 -7.525 1.00 2.14 O ATOM 625 CB ASN A 39 6.294 19.149 -8.497 1.00 65.45 C ATOM 626 CG ASN A 39 5.130 18.343 -7.953 1.00 5.52 C ATOM 627 OD1 ASN A 39 4.568 18.673 -6.909 1.00 14.42 O ATOM 628 ND2 ASN A 39 4.764 17.281 -8.660 1.00 23.43 N ATOM 0 H ASN A 39 7.107 16.498 -9.664 1.00 34.43 H new ATOM 0 HA ASN A 39 8.408 18.957 -8.844 1.00 12.20 H new ATOM 0 HB2 ASN A 39 6.514 19.971 -7.815 1.00 65.45 H new ATOM 0 HB3 ASN A 39 6.011 19.593 -9.451 1.00 65.45 H new ATOM 0 HD21 ASN A 39 3.987 16.700 -8.343 1.00 23.43 H new ATOM 0 HD22 ASN A 39 5.259 17.045 -9.520 1.00 23.43 H new ATOM 635 N ALA A 40 7.744 18.106 -6.278 1.00 4.32 N ATOM 636 CA ALA A 40 7.966 17.421 -5.011 1.00 4.35 C ATOM 637 C ALA A 40 7.055 16.206 -4.876 1.00 55.51 C ATOM 638 O ALA A 40 7.450 15.181 -4.323 1.00 65.22 O ATOM 639 CB ALA A 40 7.749 18.378 -3.848 1.00 14.40 C ATOM 0 H ALA A 40 7.539 19.101 -6.189 1.00 4.32 H new ATOM 0 HA ALA A 40 8.998 17.072 -4.992 1.00 4.35 H new ATOM 0 HB1 ALA A 40 7.918 17.853 -2.908 1.00 14.40 H new ATOM 0 HB2 ALA A 40 8.446 19.212 -3.928 1.00 14.40 H new ATOM 0 HB3 ALA A 40 6.727 18.756 -3.874 1.00 14.40 H new ATOM 645 N GLN A 41 5.833 16.330 -5.384 1.00 53.33 N ATOM 646 CA GLN A 41 4.865 15.242 -5.319 1.00 33.21 C ATOM 647 C GLN A 41 5.354 14.030 -6.105 1.00 24.13 C ATOM 648 O GLN A 41 5.020 12.891 -5.781 1.00 2.12 O ATOM 649 CB GLN A 41 3.510 15.702 -5.861 1.00 3.45 C ATOM 650 CG GLN A 41 2.476 15.956 -4.776 1.00 73.20 C ATOM 651 CD GLN A 41 1.056 15.940 -5.308 1.00 43.14 C ATOM 652 OE1 GLN A 41 0.442 14.881 -5.439 1.00 52.14 O ATOM 653 NE2 GLN A 41 0.527 17.118 -5.619 1.00 21.24 N ATOM 0 H GLN A 41 5.490 17.173 -5.845 1.00 53.33 H new ATOM 0 HA GLN A 41 4.752 14.954 -4.274 1.00 33.21 H new ATOM 0 HB2 GLN A 41 3.650 16.616 -6.439 1.00 3.45 H new ATOM 0 HB3 GLN A 41 3.127 14.947 -6.547 1.00 3.45 H new ATOM 0 HG2 GLN A 41 2.577 15.199 -3.998 1.00 73.20 H new ATOM 0 HG3 GLN A 41 2.674 16.921 -4.309 1.00 73.20 H new ATOM 0 HE21 GLN A 41 1.072 17.971 -5.494 1.00 21.24 H new ATOM 0 HE22 GLN A 41 -0.425 17.170 -5.982 1.00 21.24 H new ATOM 662 N GLY A 42 6.149 14.284 -7.140 1.00 71.43 N ATOM 663 CA GLY A 42 6.671 13.203 -7.957 1.00 3.45 C ATOM 664 C GLY A 42 6.637 13.527 -9.437 1.00 70.41 C ATOM 665 O GLY A 42 6.601 14.695 -9.825 1.00 72.12 O ATOM 0 H GLY A 42 6.441 15.218 -7.427 1.00 71.43 H new ATOM 0 HA2 GLY A 42 7.697 12.989 -7.659 1.00 3.45 H new ATOM 0 HA3 GLY A 42 6.090 12.299 -7.773 1.00 3.45 H new ATOM 669 N THR A 43 6.650 12.489 -10.268 1.00 50.14 N ATOM 670 CA THR A 43 6.623 12.668 -11.714 1.00 40.15 C ATOM 671 C THR A 43 5.374 12.040 -12.323 1.00 4.10 C ATOM 672 O THR A 43 5.191 10.824 -12.272 1.00 21.31 O ATOM 673 CB THR A 43 7.869 12.054 -12.380 1.00 21.11 C ATOM 674 OG1 THR A 43 9.001 12.184 -11.513 1.00 65.31 O ATOM 675 CG2 THR A 43 8.162 12.732 -13.710 1.00 32.40 C ATOM 0 H THR A 43 6.679 11.516 -9.964 1.00 50.14 H new ATOM 0 HA THR A 43 6.613 13.742 -11.899 1.00 40.15 H new ATOM 0 HB THR A 43 7.672 10.998 -12.565 1.00 21.11 H new ATOM 0 HG1 THR A 43 9.789 11.790 -11.942 1.00 65.31 H new ATOM 0 HG21 THR A 43 9.046 12.281 -14.161 1.00 32.40 H new ATOM 0 HG22 THR A 43 7.310 12.607 -14.378 1.00 32.40 H new ATOM 0 HG23 THR A 43 8.340 13.795 -13.545 1.00 32.40 H new ATOM 683 N PHE A 44 4.518 12.877 -12.899 1.00 71.25 N ATOM 684 CA PHE A 44 3.285 12.403 -13.518 1.00 63.12 C ATOM 685 C PHE A 44 3.328 12.593 -15.032 1.00 4.24 C ATOM 686 O PHE A 44 4.123 13.380 -15.547 1.00 34.54 O ATOM 687 CB PHE A 44 2.080 13.142 -12.934 1.00 74.01 C ATOM 688 CG PHE A 44 2.077 13.192 -11.433 1.00 10.40 C ATOM 689 CD1 PHE A 44 2.787 14.173 -10.758 1.00 72.34 C ATOM 690 CD2 PHE A 44 1.364 12.260 -10.697 1.00 23.05 C ATOM 691 CE1 PHE A 44 2.787 14.221 -9.377 1.00 73.32 C ATOM 692 CE2 PHE A 44 1.360 12.303 -9.315 1.00 1.30 C ATOM 693 CZ PHE A 44 2.071 13.286 -8.655 1.00 25.34 C ATOM 0 H PHE A 44 4.655 13.886 -12.950 1.00 71.25 H new ATOM 0 HA PHE A 44 3.187 11.338 -13.306 1.00 63.12 H new ATOM 0 HB2 PHE A 44 2.065 14.160 -13.323 1.00 74.01 H new ATOM 0 HB3 PHE A 44 1.166 12.656 -13.275 1.00 74.01 H new ATOM 0 HD1 PHE A 44 3.346 14.908 -11.318 1.00 72.34 H new ATOM 0 HD2 PHE A 44 0.805 11.491 -11.209 1.00 23.05 H new ATOM 0 HE1 PHE A 44 3.346 14.989 -8.863 1.00 73.32 H new ATOM 0 HE2 PHE A 44 0.802 11.569 -8.753 1.00 1.30 H new ATOM 0 HZ PHE A 44 2.067 13.324 -7.576 1.00 25.34 H new ATOM 703 N ALA A 45 2.469 11.867 -15.738 1.00 34.50 N ATOM 704 CA ALA A 45 2.407 11.956 -17.192 1.00 32.54 C ATOM 705 C ALA A 45 1.000 12.309 -17.661 1.00 14.24 C ATOM 706 O ALA A 45 0.016 11.729 -17.199 1.00 60.43 O ATOM 707 CB ALA A 45 2.861 10.647 -17.820 1.00 64.33 C ATOM 0 H ALA A 45 1.806 11.210 -15.327 1.00 34.50 H new ATOM 0 HA ALA A 45 3.079 12.753 -17.512 1.00 32.54 H new ATOM 0 HB1 ALA A 45 2.810 10.727 -18.906 1.00 64.33 H new ATOM 0 HB2 ALA A 45 3.887 10.436 -17.520 1.00 64.33 H new ATOM 0 HB3 ALA A 45 2.212 9.838 -17.485 1.00 64.33 H new ATOM 713 N LEU A 46 0.910 13.265 -18.579 1.00 31.12 N ATOM 714 CA LEU A 46 -0.378 13.697 -19.110 1.00 72.13 C ATOM 715 C LEU A 46 -0.579 13.186 -20.533 1.00 73.42 C ATOM 716 O LEU A 46 0.227 13.460 -21.422 1.00 72.24 O ATOM 717 CB LEU A 46 -0.476 15.223 -19.086 1.00 12.30 C ATOM 718 CG LEU A 46 0.135 15.916 -17.867 1.00 72.32 C ATOM 719 CD1 LEU A 46 -0.135 17.412 -17.913 1.00 24.24 C ATOM 720 CD2 LEU A 46 -0.411 15.312 -16.581 1.00 54.35 C ATOM 0 H LEU A 46 1.714 13.756 -18.971 1.00 31.12 H new ATOM 0 HA LEU A 46 -1.162 13.279 -18.479 1.00 72.13 H new ATOM 0 HB2 LEU A 46 0.009 15.612 -19.981 1.00 12.30 H new ATOM 0 HB3 LEU A 46 -1.528 15.501 -19.147 1.00 12.30 H new ATOM 0 HG LEU A 46 1.214 15.762 -17.887 1.00 72.32 H new ATOM 0 HD11 LEU A 46 0.307 17.889 -17.038 1.00 24.24 H new ATOM 0 HD12 LEU A 46 0.305 17.834 -18.817 1.00 24.24 H new ATOM 0 HD13 LEU A 46 -1.211 17.588 -17.917 1.00 24.24 H new ATOM 0 HD21 LEU A 46 0.035 15.817 -15.724 1.00 54.35 H new ATOM 0 HD22 LEU A 46 -1.494 15.435 -16.552 1.00 54.35 H new ATOM 0 HD23 LEU A 46 -0.165 14.251 -16.545 1.00 54.35 H new ATOM 732 N VAL A 47 -1.661 12.442 -20.742 1.00 54.42 N ATOM 733 CA VAL A 47 -1.971 11.895 -22.058 1.00 1.52 C ATOM 734 C VAL A 47 -3.404 12.220 -22.465 1.00 2.12 C ATOM 735 O VAL A 47 -4.254 12.495 -21.618 1.00 55.43 O ATOM 736 CB VAL A 47 -1.773 10.368 -22.092 1.00 3.45 C ATOM 737 CG1 VAL A 47 -2.889 9.668 -21.331 1.00 44.12 C ATOM 738 CG2 VAL A 47 -1.702 9.872 -23.528 1.00 11.42 C ATOM 0 H VAL A 47 -2.338 12.204 -20.017 1.00 54.42 H new ATOM 0 HA VAL A 47 -1.282 12.359 -22.764 1.00 1.52 H new ATOM 0 HB VAL A 47 -0.828 10.130 -21.603 1.00 3.45 H new ATOM 0 HG11 VAL A 47 -2.732 8.590 -21.366 1.00 44.12 H new ATOM 0 HG12 VAL A 47 -2.887 10.002 -20.293 1.00 44.12 H new ATOM 0 HG13 VAL A 47 -3.849 9.910 -21.788 1.00 44.12 H new ATOM 0 HG21 VAL A 47 -1.562 8.791 -23.533 1.00 11.42 H new ATOM 0 HG22 VAL A 47 -2.629 10.120 -24.045 1.00 11.42 H new ATOM 0 HG23 VAL A 47 -0.864 10.349 -24.037 1.00 11.42 H new ATOM 748 N LYS A 48 -3.665 12.186 -23.767 1.00 72.20 N ATOM 749 CA LYS A 48 -4.996 12.474 -24.289 1.00 1.44 C ATOM 750 C LYS A 48 -5.564 11.267 -25.027 1.00 54.02 C ATOM 751 O LYS A 48 -4.833 10.528 -25.685 1.00 3.24 O ATOM 752 CB LYS A 48 -4.948 13.683 -25.226 1.00 65.13 C ATOM 753 CG LYS A 48 -6.258 13.946 -25.947 1.00 52.32 C ATOM 754 CD LYS A 48 -6.145 15.126 -26.898 1.00 4.33 C ATOM 755 CE LYS A 48 -7.467 15.411 -27.594 1.00 23.23 C ATOM 756 NZ LYS A 48 -7.302 16.359 -28.730 1.00 75.55 N ATOM 0 H LYS A 48 -2.972 11.962 -24.481 1.00 72.20 H new ATOM 0 HA LYS A 48 -5.648 12.701 -23.446 1.00 1.44 H new ATOM 0 HB2 LYS A 48 -4.676 14.568 -24.650 1.00 65.13 H new ATOM 0 HB3 LYS A 48 -4.161 13.529 -25.964 1.00 65.13 H new ATOM 0 HG2 LYS A 48 -6.553 13.056 -26.503 1.00 52.32 H new ATOM 0 HG3 LYS A 48 -7.044 14.140 -25.217 1.00 52.32 H new ATOM 0 HD2 LYS A 48 -5.826 16.010 -26.346 1.00 4.33 H new ATOM 0 HD3 LYS A 48 -5.377 14.921 -27.644 1.00 4.33 H new ATOM 0 HE2 LYS A 48 -7.894 14.477 -27.959 1.00 23.23 H new ATOM 0 HE3 LYS A 48 -8.174 15.825 -26.875 1.00 23.23 H new ATOM 0 HZ1 LYS A 48 -8.225 16.528 -29.178 1.00 75.55 H new ATOM 0 HZ2 LYS A 48 -6.918 17.259 -28.378 1.00 75.55 H new ATOM 0 HZ3 LYS A 48 -6.647 15.953 -29.428 1.00 75.55 H new ATOM 770 N GLY A 49 -6.875 11.074 -24.915 1.00 72.52 N ATOM 771 CA GLY A 49 -7.519 9.955 -25.579 1.00 13.11 C ATOM 772 C GLY A 49 -8.986 9.832 -25.215 1.00 63.43 C ATOM 773 O GLY A 49 -9.463 10.501 -24.300 1.00 35.55 O ATOM 0 H GLY A 49 -7.502 11.672 -24.377 1.00 72.52 H new ATOM 0 HA2 GLY A 49 -7.424 10.073 -26.658 1.00 13.11 H new ATOM 0 HA3 GLY A 49 -7.003 9.032 -25.313 1.00 13.11 H new ATOM 777 N ALA A 50 -9.702 8.975 -25.936 1.00 32.13 N ATOM 778 CA ALA A 50 -11.123 8.766 -25.684 1.00 24.03 C ATOM 779 C ALA A 50 -11.871 10.093 -25.627 1.00 52.33 C ATOM 780 O ALA A 50 -12.884 10.217 -24.940 1.00 2.33 O ATOM 781 CB ALA A 50 -11.321 7.991 -24.390 1.00 24.34 C ATOM 0 H ALA A 50 -9.322 8.415 -26.699 1.00 32.13 H new ATOM 0 HA ALA A 50 -11.531 8.184 -26.510 1.00 24.03 H new ATOM 0 HB1 ALA A 50 -12.386 7.842 -24.214 1.00 24.34 H new ATOM 0 HB2 ALA A 50 -10.827 7.022 -24.467 1.00 24.34 H new ATOM 0 HB3 ALA A 50 -10.891 8.552 -23.560 1.00 24.34 H new ATOM 787 N GLY A 51 -11.365 11.084 -26.355 1.00 52.50 N ATOM 788 CA GLY A 51 -11.999 12.390 -26.373 1.00 3.03 C ATOM 789 C GLY A 51 -11.866 13.117 -25.049 1.00 60.21 C ATOM 790 O GLY A 51 -12.782 13.819 -24.624 1.00 34.44 O ATOM 0 H GLY A 51 -10.528 11.006 -26.932 1.00 52.50 H new ATOM 0 HA2 GLY A 51 -11.554 12.996 -27.163 1.00 3.03 H new ATOM 0 HA3 GLY A 51 -13.055 12.275 -26.616 1.00 3.03 H new ATOM 794 N GLY A 52 -10.721 12.947 -24.395 1.00 10.25 N ATOM 795 CA GLY A 52 -10.493 13.597 -23.117 1.00 55.42 C ATOM 796 C GLY A 52 -9.044 13.526 -22.680 1.00 62.52 C ATOM 797 O GLY A 52 -8.207 12.944 -23.372 1.00 13.34 O ATOM 0 H GLY A 52 -9.947 12.371 -24.727 1.00 10.25 H new ATOM 0 HA2 GLY A 52 -10.798 14.641 -23.185 1.00 55.42 H new ATOM 0 HA3 GLY A 52 -11.121 13.130 -22.358 1.00 55.42 H new ATOM 801 N VAL A 53 -8.744 14.119 -21.529 1.00 51.43 N ATOM 802 CA VAL A 53 -7.385 14.121 -21.001 1.00 71.10 C ATOM 803 C VAL A 53 -7.278 13.247 -19.756 1.00 54.14 C ATOM 804 O VAL A 53 -8.186 13.219 -18.925 1.00 11.04 O ATOM 805 CB VAL A 53 -6.919 15.548 -20.655 1.00 32.43 C ATOM 806 CG1 VAL A 53 -6.569 16.317 -21.919 1.00 73.14 C ATOM 807 CG2 VAL A 53 -7.988 16.277 -19.855 1.00 50.44 C ATOM 0 H VAL A 53 -9.424 14.604 -20.944 1.00 51.43 H new ATOM 0 HA VAL A 53 -6.741 13.716 -21.782 1.00 71.10 H new ATOM 0 HB VAL A 53 -6.021 15.480 -20.041 1.00 32.43 H new ATOM 0 HG11 VAL A 53 -6.242 17.323 -21.654 1.00 73.14 H new ATOM 0 HG12 VAL A 53 -5.767 15.802 -22.448 1.00 73.14 H new ATOM 0 HG13 VAL A 53 -7.447 16.378 -22.562 1.00 73.14 H new ATOM 0 HG21 VAL A 53 -7.643 17.284 -19.619 1.00 50.44 H new ATOM 0 HG22 VAL A 53 -8.905 16.336 -20.442 1.00 50.44 H new ATOM 0 HG23 VAL A 53 -8.184 15.734 -18.930 1.00 50.44 H new ATOM 817 N HIS A 54 -6.163 12.534 -19.634 1.00 40.41 N ATOM 818 CA HIS A 54 -5.936 11.659 -18.489 1.00 54.43 C ATOM 819 C HIS A 54 -4.561 11.909 -17.879 1.00 25.31 C ATOM 820 O HIS A 54 -3.654 12.404 -18.549 1.00 31.31 O ATOM 821 CB HIS A 54 -6.064 10.194 -18.907 1.00 41.34 C ATOM 822 CG HIS A 54 -6.787 10.002 -20.205 1.00 13.43 C ATOM 823 ND1 HIS A 54 -6.232 9.354 -21.287 1.00 62.34 N ATOM 824 CD2 HIS A 54 -8.030 10.377 -20.589 1.00 61.33 C ATOM 825 CE1 HIS A 54 -7.101 9.339 -22.282 1.00 63.03 C ATOM 826 NE2 HIS A 54 -8.200 9.953 -21.884 1.00 74.13 N ATOM 0 H HIS A 54 -5.403 12.545 -20.314 1.00 40.41 H new ATOM 0 HA HIS A 54 -6.693 11.881 -17.737 1.00 54.43 H new ATOM 0 HB2 HIS A 54 -5.068 9.760 -18.988 1.00 41.34 H new ATOM 0 HB3 HIS A 54 -6.588 9.646 -18.124 1.00 41.34 H new ATOM 0 HD2 HIS A 54 -8.753 10.910 -19.989 1.00 61.33 H new ATOM 0 HE1 HIS A 54 -6.940 8.899 -23.255 1.00 63.03 H new ATOM 0 HE2 HIS A 54 -9.039 10.090 -22.447 1.00 74.13 H new ATOM 834 N ARG A 55 -4.413 11.563 -16.604 1.00 43.31 N ATOM 835 CA ARG A 55 -3.148 11.752 -15.903 1.00 73.52 C ATOM 836 C ARG A 55 -2.779 10.506 -15.103 1.00 73.32 C ATOM 837 O ARG A 55 -3.571 10.016 -14.297 1.00 65.43 O ATOM 838 CB ARG A 55 -3.232 12.962 -14.972 1.00 12.30 C ATOM 839 CG ARG A 55 -4.215 12.783 -13.827 1.00 30.35 C ATOM 840 CD ARG A 55 -4.383 14.067 -13.030 1.00 51.21 C ATOM 841 NE ARG A 55 -5.154 13.856 -11.808 1.00 11.42 N ATOM 842 CZ ARG A 55 -6.460 13.611 -11.795 1.00 44.15 C ATOM 843 NH1 ARG A 55 -7.136 13.546 -12.934 1.00 20.41 N ATOM 844 NH2 ARG A 55 -7.091 13.430 -10.643 1.00 10.15 N ATOM 0 H ARG A 55 -5.153 11.151 -16.036 1.00 43.31 H new ATOM 0 HA ARG A 55 -2.372 11.929 -16.647 1.00 73.52 H new ATOM 0 HB2 ARG A 55 -2.242 13.163 -14.562 1.00 12.30 H new ATOM 0 HB3 ARG A 55 -3.520 13.838 -15.553 1.00 12.30 H new ATOM 0 HG2 ARG A 55 -5.181 12.470 -14.222 1.00 30.35 H new ATOM 0 HG3 ARG A 55 -3.867 11.988 -13.168 1.00 30.35 H new ATOM 0 HD2 ARG A 55 -3.401 14.466 -12.775 1.00 51.21 H new ATOM 0 HD3 ARG A 55 -4.880 14.815 -13.648 1.00 51.21 H new ATOM 0 HE ARG A 55 -4.663 13.899 -10.915 1.00 11.42 H new ATOM 0 HH11 ARG A 55 -6.654 13.684 -13.822 1.00 20.41 H new ATOM 0 HH12 ARG A 55 -8.138 13.358 -12.922 1.00 20.41 H new ATOM 0 HH21 ARG A 55 -6.574 13.479 -9.765 1.00 10.15 H new ATOM 0 HH22 ARG A 55 -8.093 13.242 -10.635 1.00 10.15 H new ATOM 858 N VAL A 56 -1.572 9.998 -15.332 1.00 34.41 N ATOM 859 CA VAL A 56 -1.098 8.809 -14.633 1.00 10.54 C ATOM 860 C VAL A 56 0.391 8.912 -14.323 1.00 63.34 C ATOM 861 O VAL A 56 1.139 9.580 -15.037 1.00 43.21 O ATOM 862 CB VAL A 56 -1.354 7.534 -15.457 1.00 23.44 C ATOM 863 CG1 VAL A 56 -2.838 7.201 -15.480 1.00 2.21 C ATOM 864 CG2 VAL A 56 -0.813 7.695 -16.869 1.00 41.03 C ATOM 0 H VAL A 56 -0.905 10.391 -15.996 1.00 34.41 H new ATOM 0 HA VAL A 56 -1.657 8.746 -13.699 1.00 10.54 H new ATOM 0 HB VAL A 56 -0.828 6.705 -14.983 1.00 23.44 H new ATOM 0 HG11 VAL A 56 -2.999 6.297 -16.067 1.00 2.21 H new ATOM 0 HG12 VAL A 56 -3.191 7.040 -14.461 1.00 2.21 H new ATOM 0 HG13 VAL A 56 -3.389 8.028 -15.928 1.00 2.21 H new ATOM 0 HG21 VAL A 56 -1.003 6.784 -17.437 1.00 41.03 H new ATOM 0 HG22 VAL A 56 -1.308 8.536 -17.355 1.00 41.03 H new ATOM 0 HG23 VAL A 56 0.260 7.880 -16.828 1.00 41.03 H new ATOM 874 N ARG A 57 0.816 8.244 -13.255 1.00 55.34 N ATOM 875 CA ARG A 57 2.216 8.260 -12.851 1.00 1.51 C ATOM 876 C ARG A 57 2.767 6.842 -12.741 1.00 34.42 C ATOM 877 O ARG A 57 2.047 5.867 -12.958 1.00 30.45 O ATOM 878 CB ARG A 57 2.374 8.986 -11.513 1.00 64.52 C ATOM 879 CG ARG A 57 1.337 8.585 -10.477 1.00 1.11 C ATOM 880 CD ARG A 57 1.891 8.691 -9.065 1.00 30.54 C ATOM 881 NE ARG A 57 2.952 7.718 -8.819 1.00 21.41 N ATOM 882 CZ ARG A 57 3.540 7.554 -7.639 1.00 60.30 C ATOM 883 NH1 ARG A 57 3.172 8.294 -6.603 1.00 12.04 N ATOM 884 NH2 ARG A 57 4.498 6.647 -7.494 1.00 42.31 N ATOM 0 H ARG A 57 0.210 7.685 -12.654 1.00 55.34 H new ATOM 0 HA ARG A 57 2.783 8.792 -13.615 1.00 1.51 H new ATOM 0 HB2 ARG A 57 3.369 8.785 -11.116 1.00 64.52 H new ATOM 0 HB3 ARG A 57 2.309 10.061 -11.682 1.00 64.52 H new ATOM 0 HG2 ARG A 57 0.459 9.223 -10.573 1.00 1.11 H new ATOM 0 HG3 ARG A 57 1.010 7.562 -10.665 1.00 1.11 H new ATOM 0 HD2 ARG A 57 2.277 9.697 -8.902 1.00 30.54 H new ATOM 0 HD3 ARG A 57 1.085 8.538 -8.347 1.00 30.54 H new ATOM 0 HE ARG A 57 3.258 7.132 -9.596 1.00 21.41 H new ATOM 0 HH11 ARG A 57 2.436 8.992 -6.710 1.00 12.04 H new ATOM 0 HH12 ARG A 57 3.625 8.166 -5.698 1.00 12.04 H new ATOM 0 HH21 ARG A 57 4.783 6.075 -8.289 1.00 42.31 H new ATOM 0 HH22 ARG A 57 4.949 6.522 -6.588 1.00 42.31 H new ATOM 898 N VAL A 58 4.048 6.734 -12.403 1.00 72.11 N ATOM 899 CA VAL A 58 4.695 5.435 -12.264 1.00 21.03 C ATOM 900 C VAL A 58 3.861 4.495 -11.400 1.00 4.42 C ATOM 901 O VAL A 58 3.625 4.763 -10.222 1.00 44.14 O ATOM 902 CB VAL A 58 6.100 5.571 -11.647 1.00 12.23 C ATOM 903 CG1 VAL A 58 6.760 4.207 -11.516 1.00 2.23 C ATOM 904 CG2 VAL A 58 6.958 6.511 -12.480 1.00 24.41 C ATOM 0 H VAL A 58 4.658 7.531 -12.220 1.00 72.11 H new ATOM 0 HA VAL A 58 4.785 5.017 -13.267 1.00 21.03 H new ATOM 0 HB VAL A 58 6.000 5.996 -10.648 1.00 12.23 H new ATOM 0 HG11 VAL A 58 7.752 4.323 -11.078 1.00 2.23 H new ATOM 0 HG12 VAL A 58 6.152 3.569 -10.874 1.00 2.23 H new ATOM 0 HG13 VAL A 58 6.850 3.750 -12.502 1.00 2.23 H new ATOM 0 HG21 VAL A 58 7.947 6.596 -12.030 1.00 24.41 H new ATOM 0 HG22 VAL A 58 7.052 6.117 -13.492 1.00 24.41 H new ATOM 0 HG23 VAL A 58 6.490 7.495 -12.516 1.00 24.41 H new ATOM 914 N GLY A 59 3.418 3.391 -11.994 1.00 14.55 N ATOM 915 CA GLY A 59 2.615 2.428 -11.263 1.00 70.13 C ATOM 916 C GLY A 59 1.214 2.294 -11.827 1.00 44.02 C ATOM 917 O GLY A 59 0.662 1.195 -11.882 1.00 1.05 O ATOM 0 H GLY A 59 3.601 3.147 -12.967 1.00 14.55 H new ATOM 0 HA2 GLY A 59 3.108 1.456 -11.287 1.00 70.13 H new ATOM 0 HA3 GLY A 59 2.555 2.729 -10.217 1.00 70.13 H new ATOM 921 N ASP A 60 0.638 3.415 -12.247 1.00 33.14 N ATOM 922 CA ASP A 60 -0.708 3.418 -12.809 1.00 1.43 C ATOM 923 C ASP A 60 -0.759 2.610 -14.101 1.00 70.32 C ATOM 924 O ASP A 60 0.269 2.149 -14.598 1.00 40.55 O ATOM 925 CB ASP A 60 -1.170 4.853 -13.071 1.00 73.52 C ATOM 926 CG ASP A 60 -1.679 5.536 -11.817 1.00 22.41 C ATOM 927 OD1 ASP A 60 -2.564 4.963 -11.147 1.00 11.53 O ATOM 928 OD2 ASP A 60 -1.191 6.642 -11.505 1.00 30.20 O ATOM 0 H ASP A 60 1.082 4.333 -12.209 1.00 33.14 H new ATOM 0 HA ASP A 60 -1.379 2.954 -12.086 1.00 1.43 H new ATOM 0 HB2 ASP A 60 -0.341 5.429 -13.484 1.00 73.52 H new ATOM 0 HB3 ASP A 60 -1.959 4.846 -13.823 1.00 73.52 H new ATOM 933 N TYR A 61 -1.961 2.440 -14.639 1.00 75.24 N ATOM 934 CA TYR A 61 -2.147 1.684 -15.872 1.00 72.51 C ATOM 935 C TYR A 61 -2.981 2.474 -16.876 1.00 2.11 C ATOM 936 O TYR A 61 -3.738 3.371 -16.503 1.00 34.35 O ATOM 937 CB TYR A 61 -2.821 0.343 -15.576 1.00 74.20 C ATOM 938 CG TYR A 61 -2.122 -0.463 -14.505 1.00 61.30 C ATOM 939 CD1 TYR A 61 -2.328 -0.192 -13.158 1.00 34.21 C ATOM 940 CD2 TYR A 61 -1.254 -1.495 -14.840 1.00 20.21 C ATOM 941 CE1 TYR A 61 -1.691 -0.926 -12.176 1.00 10.52 C ATOM 942 CE2 TYR A 61 -0.613 -2.235 -13.865 1.00 15.44 C ATOM 943 CZ TYR A 61 -0.835 -1.946 -12.534 1.00 50.12 C ATOM 944 OH TYR A 61 -0.198 -2.679 -11.560 1.00 22.33 O ATOM 0 H TYR A 61 -2.822 2.816 -14.241 1.00 75.24 H new ATOM 0 HA TYR A 61 -1.165 1.502 -16.307 1.00 72.51 H new ATOM 0 HB2 TYR A 61 -3.851 0.524 -15.269 1.00 74.20 H new ATOM 0 HB3 TYR A 61 -2.860 -0.244 -16.493 1.00 74.20 H new ATOM 0 HD1 TYR A 61 -2.998 0.606 -12.874 1.00 34.21 H new ATOM 0 HD2 TYR A 61 -1.077 -1.723 -15.881 1.00 20.21 H new ATOM 0 HE1 TYR A 61 -1.863 -0.702 -11.134 1.00 10.52 H new ATOM 0 HE2 TYR A 61 0.058 -3.035 -14.143 1.00 15.44 H new ATOM 0 HH TYR A 61 -0.039 -3.589 -11.887 1.00 22.33 H new ATOM 954 N LEU A 62 -2.836 2.135 -18.152 1.00 70.11 N ATOM 955 CA LEU A 62 -3.576 2.811 -19.212 1.00 45.42 C ATOM 956 C LEU A 62 -3.674 1.932 -20.454 1.00 72.52 C ATOM 957 O LEU A 62 -2.733 1.218 -20.799 1.00 3.44 O ATOM 958 CB LEU A 62 -2.901 4.138 -19.565 1.00 63.02 C ATOM 959 CG LEU A 62 -1.372 4.130 -19.582 1.00 63.42 C ATOM 960 CD1 LEU A 62 -0.844 5.120 -20.609 1.00 21.24 C ATOM 961 CD2 LEU A 62 -0.821 4.448 -18.200 1.00 33.55 C ATOM 0 H LEU A 62 -2.213 1.396 -18.478 1.00 70.11 H new ATOM 0 HA LEU A 62 -4.585 3.008 -18.848 1.00 45.42 H new ATOM 0 HB2 LEU A 62 -3.254 4.452 -20.547 1.00 63.02 H new ATOM 0 HB3 LEU A 62 -3.232 4.892 -18.851 1.00 63.02 H new ATOM 0 HG LEU A 62 -1.037 3.132 -19.864 1.00 63.42 H new ATOM 0 HD11 LEU A 62 0.246 5.100 -20.607 1.00 21.24 H new ATOM 0 HD12 LEU A 62 -1.210 4.847 -21.599 1.00 21.24 H new ATOM 0 HD13 LEU A 62 -1.189 6.123 -20.358 1.00 21.24 H new ATOM 0 HD21 LEU A 62 0.268 4.438 -18.231 1.00 33.55 H new ATOM 0 HD22 LEU A 62 -1.166 5.434 -17.889 1.00 33.55 H new ATOM 0 HD23 LEU A 62 -1.170 3.700 -17.488 1.00 33.55 H new ATOM 973 N GLY A 63 -4.821 1.989 -21.125 1.00 10.14 N ATOM 974 CA GLY A 63 -5.021 1.194 -22.322 1.00 42.44 C ATOM 975 C GLY A 63 -5.612 -0.169 -22.022 1.00 4.21 C ATOM 976 O GLY A 63 -5.565 -0.636 -20.884 1.00 11.33 O ATOM 0 H GLY A 63 -5.615 2.572 -20.860 1.00 10.14 H new ATOM 0 HA2 GLY A 63 -5.681 1.730 -23.004 1.00 42.44 H new ATOM 0 HA3 GLY A 63 -4.067 1.068 -22.834 1.00 42.44 H new ATOM 980 N ARG A 64 -6.170 -0.808 -23.044 1.00 73.32 N ATOM 981 CA ARG A 64 -6.776 -2.125 -22.883 1.00 45.22 C ATOM 982 C ARG A 64 -5.719 -3.171 -22.541 1.00 3.24 C ATOM 983 O ARG A 64 -6.037 -4.247 -22.038 1.00 31.35 O ATOM 984 CB ARG A 64 -7.514 -2.530 -24.160 1.00 51.22 C ATOM 985 CG ARG A 64 -8.607 -1.555 -24.567 1.00 0.11 C ATOM 986 CD ARG A 64 -9.856 -2.283 -25.038 1.00 31.10 C ATOM 987 NE ARG A 64 -9.540 -3.377 -25.953 1.00 2.15 N ATOM 988 CZ ARG A 64 -10.398 -4.339 -26.273 1.00 14.41 C ATOM 989 NH1 ARG A 64 -11.619 -4.341 -25.756 1.00 32.12 N ATOM 990 NH2 ARG A 64 -10.036 -5.300 -27.113 1.00 35.14 N ATOM 0 H ARG A 64 -6.215 -0.436 -23.993 1.00 73.32 H new ATOM 0 HA ARG A 64 -7.489 -2.071 -22.061 1.00 45.22 H new ATOM 0 HB2 ARG A 64 -6.794 -2.616 -24.974 1.00 51.22 H new ATOM 0 HB3 ARG A 64 -7.954 -3.517 -24.018 1.00 51.22 H new ATOM 0 HG2 ARG A 64 -8.856 -0.912 -23.722 1.00 0.11 H new ATOM 0 HG3 ARG A 64 -8.240 -0.907 -25.363 1.00 0.11 H new ATOM 0 HD2 ARG A 64 -10.394 -2.676 -24.175 1.00 31.10 H new ATOM 0 HD3 ARG A 64 -10.522 -1.577 -25.534 1.00 31.10 H new ATOM 0 HE ARG A 64 -8.609 -3.404 -26.369 1.00 2.15 H new ATOM 0 HH11 ARG A 64 -11.901 -3.603 -25.111 1.00 32.12 H new ATOM 0 HH12 ARG A 64 -12.276 -5.081 -26.003 1.00 32.12 H new ATOM 0 HH21 ARG A 64 -9.098 -5.301 -27.514 1.00 35.14 H new ATOM 0 HH22 ARG A 64 -10.696 -6.038 -27.358 1.00 35.14 H new ATOM 1004 N ASN A 65 -4.460 -2.846 -22.818 1.00 11.34 N ATOM 1005 CA ASN A 65 -3.356 -3.757 -22.540 1.00 33.52 C ATOM 1006 C ASN A 65 -2.787 -3.513 -21.146 1.00 22.44 C ATOM 1007 O ASN A 65 -1.689 -3.968 -20.824 1.00 43.11 O ATOM 1008 CB ASN A 65 -2.255 -3.593 -23.589 1.00 1.41 C ATOM 1009 CG ASN A 65 -2.787 -3.691 -25.006 1.00 5.13 C ATOM 1010 OD1 ASN A 65 -2.572 -2.797 -25.824 1.00 51.15 O ATOM 1011 ND2 ASN A 65 -3.485 -4.781 -25.301 1.00 63.22 N ATOM 0 H ASN A 65 -4.179 -1.958 -23.235 1.00 11.34 H new ATOM 0 HA ASN A 65 -3.740 -4.776 -22.583 1.00 33.52 H new ATOM 0 HB2 ASN A 65 -1.768 -2.627 -23.453 1.00 1.41 H new ATOM 0 HB3 ASN A 65 -1.494 -4.358 -23.436 1.00 1.41 H new ATOM 0 HD21 ASN A 65 -3.868 -4.903 -26.238 1.00 63.22 H new ATOM 0 HD22 ASN A 65 -3.638 -5.496 -24.590 1.00 63.22 H new ATOM 1018 N ASP A 66 -3.541 -2.794 -20.322 1.00 50.22 N ATOM 1019 CA ASP A 66 -3.113 -2.490 -18.962 1.00 22.34 C ATOM 1020 C ASP A 66 -1.708 -1.896 -18.954 1.00 22.21 C ATOM 1021 O ASP A 66 -0.879 -2.248 -18.116 1.00 24.10 O ATOM 1022 CB ASP A 66 -3.151 -3.753 -18.099 1.00 10.43 C ATOM 1023 CG ASP A 66 -3.105 -3.442 -16.616 1.00 15.44 C ATOM 1024 OD1 ASP A 66 -3.812 -2.507 -16.183 1.00 53.00 O ATOM 1025 OD2 ASP A 66 -2.364 -4.133 -15.887 1.00 62.33 O ATOM 0 H ASP A 66 -4.452 -2.411 -20.573 1.00 50.22 H new ATOM 0 HA ASP A 66 -3.801 -1.754 -18.547 1.00 22.34 H new ATOM 0 HB2 ASP A 66 -4.058 -4.315 -18.322 1.00 10.43 H new ATOM 0 HB3 ASP A 66 -2.308 -4.393 -18.359 1.00 10.43 H new ATOM 1030 N GLY A 67 -1.447 -0.993 -19.894 1.00 72.25 N ATOM 1031 CA GLY A 67 -0.141 -0.366 -19.979 1.00 14.31 C ATOM 1032 C GLY A 67 0.281 0.272 -18.670 1.00 62.12 C ATOM 1033 O GLY A 67 -0.169 1.366 -18.330 1.00 32.15 O ATOM 0 H GLY A 67 -2.117 -0.684 -20.598 1.00 72.25 H new ATOM 0 HA2 GLY A 67 0.598 -1.112 -20.271 1.00 14.31 H new ATOM 0 HA3 GLY A 67 -0.156 0.393 -20.762 1.00 14.31 H new ATOM 1037 N LYS A 68 1.148 -0.414 -17.933 1.00 0.23 N ATOM 1038 CA LYS A 68 1.632 0.091 -16.653 1.00 60.22 C ATOM 1039 C LYS A 68 2.739 1.120 -16.858 1.00 24.42 C ATOM 1040 O LYS A 68 3.564 0.988 -17.763 1.00 32.44 O ATOM 1041 CB LYS A 68 2.146 -1.062 -15.788 1.00 61.33 C ATOM 1042 CG LYS A 68 2.641 -0.624 -14.421 1.00 15.52 C ATOM 1043 CD LYS A 68 3.473 -1.706 -13.755 1.00 64.22 C ATOM 1044 CE LYS A 68 2.708 -3.017 -13.656 1.00 52.33 C ATOM 1045 NZ LYS A 68 3.496 -4.068 -12.955 1.00 52.20 N ATOM 0 H LYS A 68 1.530 -1.321 -18.200 1.00 0.23 H new ATOM 0 HA LYS A 68 0.799 0.576 -16.143 1.00 60.22 H new ATOM 0 HB2 LYS A 68 1.347 -1.792 -15.659 1.00 61.33 H new ATOM 0 HB3 LYS A 68 2.957 -1.566 -16.314 1.00 61.33 H new ATOM 0 HG2 LYS A 68 3.237 0.283 -14.523 1.00 15.52 H new ATOM 0 HG3 LYS A 68 1.790 -0.377 -13.787 1.00 15.52 H new ATOM 0 HD2 LYS A 68 4.391 -1.861 -14.322 1.00 64.22 H new ATOM 0 HD3 LYS A 68 3.766 -1.379 -12.758 1.00 64.22 H new ATOM 0 HE2 LYS A 68 1.771 -2.851 -13.125 1.00 52.33 H new ATOM 0 HE3 LYS A 68 2.450 -3.363 -14.657 1.00 52.33 H new ATOM 0 HZ1 LYS A 68 2.940 -4.946 -12.908 1.00 52.20 H new ATOM 0 HZ2 LYS A 68 4.379 -4.245 -13.475 1.00 52.20 H new ATOM 0 HZ3 LYS A 68 3.720 -3.749 -11.991 1.00 52.20 H new ATOM 1059 N VAL A 69 2.753 2.144 -16.011 1.00 25.25 N ATOM 1060 CA VAL A 69 3.761 3.194 -16.097 1.00 24.20 C ATOM 1061 C VAL A 69 5.045 2.783 -15.385 1.00 23.01 C ATOM 1062 O VAL A 69 5.038 2.488 -14.190 1.00 1.24 O ATOM 1063 CB VAL A 69 3.250 4.514 -15.490 1.00 24.23 C ATOM 1064 CG1 VAL A 69 4.259 5.630 -15.713 1.00 51.33 C ATOM 1065 CG2 VAL A 69 1.897 4.881 -16.078 1.00 15.41 C ATOM 0 H VAL A 69 2.077 2.269 -15.257 1.00 25.25 H new ATOM 0 HA VAL A 69 3.969 3.347 -17.156 1.00 24.20 H new ATOM 0 HB VAL A 69 3.128 4.377 -14.416 1.00 24.23 H new ATOM 0 HG11 VAL A 69 3.881 6.555 -15.277 1.00 51.33 H new ATOM 0 HG12 VAL A 69 5.204 5.366 -15.239 1.00 51.33 H new ATOM 0 HG13 VAL A 69 4.416 5.770 -16.782 1.00 51.33 H new ATOM 0 HG21 VAL A 69 1.551 5.816 -15.638 1.00 15.41 H new ATOM 0 HG22 VAL A 69 1.990 5.000 -17.157 1.00 15.41 H new ATOM 0 HG23 VAL A 69 1.179 4.090 -15.861 1.00 15.41 H new ATOM 1075 N VAL A 70 6.148 2.766 -16.127 1.00 51.12 N ATOM 1076 CA VAL A 70 7.441 2.393 -15.567 1.00 22.01 C ATOM 1077 C VAL A 70 8.448 3.530 -15.704 1.00 32.35 C ATOM 1078 O VAL A 70 9.348 3.679 -14.878 1.00 33.40 O ATOM 1079 CB VAL A 70 8.008 1.135 -16.252 1.00 12.13 C ATOM 1080 CG1 VAL A 70 6.999 -0.002 -16.199 1.00 21.24 C ATOM 1081 CG2 VAL A 70 8.401 1.443 -17.689 1.00 25.25 C ATOM 0 H VAL A 70 6.171 3.006 -17.118 1.00 51.12 H new ATOM 0 HA VAL A 70 7.278 2.180 -14.510 1.00 22.01 H new ATOM 0 HB VAL A 70 8.902 0.821 -15.714 1.00 12.13 H new ATOM 0 HG11 VAL A 70 7.417 -0.882 -16.688 1.00 21.24 H new ATOM 0 HG12 VAL A 70 6.771 -0.238 -15.160 1.00 21.24 H new ATOM 0 HG13 VAL A 70 6.085 0.298 -16.712 1.00 21.24 H new ATOM 0 HG21 VAL A 70 8.800 0.543 -18.158 1.00 25.25 H new ATOM 0 HG22 VAL A 70 7.525 1.782 -18.241 1.00 25.25 H new ATOM 0 HG23 VAL A 70 9.161 2.224 -17.699 1.00 25.25 H new ATOM 1091 N GLY A 71 8.289 4.331 -16.753 1.00 31.03 N ATOM 1092 CA GLY A 71 9.191 5.445 -16.979 1.00 0.14 C ATOM 1093 C GLY A 71 8.465 6.697 -17.428 1.00 14.44 C ATOM 1094 O GLY A 71 7.495 6.623 -18.183 1.00 11.31 O ATOM 0 H GLY A 71 7.552 4.228 -17.450 1.00 31.03 H new ATOM 0 HA2 GLY A 71 9.739 5.656 -16.061 1.00 0.14 H new ATOM 0 HA3 GLY A 71 9.927 5.165 -17.733 1.00 0.14 H new ATOM 1098 N ILE A 72 8.933 7.850 -16.961 1.00 55.22 N ATOM 1099 CA ILE A 72 8.320 9.124 -17.319 1.00 62.42 C ATOM 1100 C ILE A 72 9.380 10.184 -17.599 1.00 32.11 C ATOM 1101 O ILE A 72 10.026 10.687 -16.680 1.00 44.34 O ATOM 1102 CB ILE A 72 7.384 9.631 -16.206 1.00 72.45 C ATOM 1103 CG1 ILE A 72 6.260 8.623 -15.957 1.00 22.42 C ATOM 1104 CG2 ILE A 72 6.810 10.991 -16.576 1.00 24.44 C ATOM 1105 CD1 ILE A 72 5.513 8.859 -14.663 1.00 30.11 C ATOM 0 H ILE A 72 9.734 7.928 -16.334 1.00 55.22 H new ATOM 0 HA ILE A 72 7.735 8.950 -18.222 1.00 62.42 H new ATOM 0 HB ILE A 72 7.961 9.739 -15.287 1.00 72.45 H new ATOM 0 HG12 ILE A 72 5.555 8.665 -16.787 1.00 22.42 H new ATOM 0 HG13 ILE A 72 6.680 7.617 -15.946 1.00 22.42 H new ATOM 0 HG21 ILE A 72 6.150 11.336 -15.780 1.00 24.44 H new ATOM 0 HG22 ILE A 72 7.623 11.705 -16.709 1.00 24.44 H new ATOM 0 HG23 ILE A 72 6.245 10.907 -17.504 1.00 24.44 H new ATOM 0 HD11 ILE A 72 4.731 8.108 -14.552 1.00 30.11 H new ATOM 0 HD12 ILE A 72 6.206 8.788 -13.825 1.00 30.11 H new ATOM 0 HD13 ILE A 72 5.063 9.852 -14.679 1.00 30.11 H new ATOM 1117 N SER A 73 9.551 10.520 -18.873 1.00 62.35 N ATOM 1118 CA SER A 73 10.534 11.519 -19.275 1.00 51.41 C ATOM 1119 C SER A 73 9.852 12.833 -19.647 1.00 62.41 C ATOM 1120 O SER A 73 8.661 13.016 -19.401 1.00 53.51 O ATOM 1121 CB SER A 73 11.360 11.008 -20.457 1.00 34.50 C ATOM 1122 OG SER A 73 11.649 9.627 -20.317 1.00 41.42 O ATOM 0 H SER A 73 9.021 10.115 -19.645 1.00 62.35 H new ATOM 0 HA SER A 73 11.198 11.700 -18.429 1.00 51.41 H new ATOM 0 HB2 SER A 73 10.815 11.177 -21.386 1.00 34.50 H new ATOM 0 HB3 SER A 73 12.290 11.572 -20.526 1.00 34.50 H new ATOM 0 HG SER A 73 12.415 9.394 -20.883 1.00 41.42 H new ATOM 1128 N GLU A 74 10.618 13.742 -20.241 1.00 42.24 N ATOM 1129 CA GLU A 74 10.089 15.039 -20.647 1.00 35.13 C ATOM 1130 C GLU A 74 9.608 15.002 -22.095 1.00 21.13 C ATOM 1131 O GLU A 74 8.860 15.874 -22.534 1.00 60.15 O ATOM 1132 CB GLU A 74 11.153 16.125 -20.479 1.00 23.23 C ATOM 1133 CG GLU A 74 12.428 15.853 -21.259 1.00 63.04 C ATOM 1134 CD GLU A 74 13.408 17.009 -21.198 1.00 55.11 C ATOM 1135 OE1 GLU A 74 13.754 17.433 -20.076 1.00 2.24 O ATOM 1136 OE2 GLU A 74 13.827 17.490 -22.271 1.00 71.25 O ATOM 0 H GLU A 74 11.606 13.605 -20.452 1.00 42.24 H new ATOM 0 HA GLU A 74 9.239 15.272 -20.006 1.00 35.13 H new ATOM 0 HB2 GLU A 74 10.738 17.081 -20.799 1.00 23.23 H new ATOM 0 HB3 GLU A 74 11.398 16.222 -19.421 1.00 23.23 H new ATOM 0 HG2 GLU A 74 12.906 14.956 -20.865 1.00 63.04 H new ATOM 0 HG3 GLU A 74 12.176 15.650 -22.300 1.00 63.04 H new ATOM 1143 N GLY A 75 10.045 13.985 -22.831 1.00 61.24 N ATOM 1144 CA GLY A 75 9.651 13.853 -24.222 1.00 32.33 C ATOM 1145 C GLY A 75 9.288 12.427 -24.589 1.00 1.34 C ATOM 1146 O GLY A 75 9.209 12.082 -25.768 1.00 11.32 O ATOM 0 H GLY A 75 10.665 13.250 -22.489 1.00 61.24 H new ATOM 0 HA2 GLY A 75 8.799 14.504 -24.418 1.00 32.33 H new ATOM 0 HA3 GLY A 75 10.466 14.193 -24.861 1.00 32.33 H new ATOM 1150 N LYS A 76 9.068 11.595 -23.576 1.00 44.22 N ATOM 1151 CA LYS A 76 8.713 10.199 -23.797 1.00 35.53 C ATOM 1152 C LYS A 76 8.276 9.536 -22.494 1.00 0.12 C ATOM 1153 O LYS A 76 8.774 9.873 -21.419 1.00 35.42 O ATOM 1154 CB LYS A 76 9.897 9.437 -24.396 1.00 42.52 C ATOM 1155 CG LYS A 76 11.147 9.481 -23.534 1.00 41.24 C ATOM 1156 CD LYS A 76 11.978 10.721 -23.819 1.00 52.33 C ATOM 1157 CE LYS A 76 13.464 10.447 -23.652 1.00 65.22 C ATOM 1158 NZ LYS A 76 13.951 9.423 -24.618 1.00 24.23 N ATOM 0 H LYS A 76 9.130 11.864 -22.594 1.00 44.22 H new ATOM 0 HA LYS A 76 7.879 10.170 -24.498 1.00 35.53 H new ATOM 0 HB2 LYS A 76 9.609 8.397 -24.550 1.00 42.52 H new ATOM 0 HB3 LYS A 76 10.127 9.853 -25.377 1.00 42.52 H new ATOM 0 HG2 LYS A 76 10.865 9.465 -22.481 1.00 41.24 H new ATOM 0 HG3 LYS A 76 11.747 8.590 -23.716 1.00 41.24 H new ATOM 0 HD2 LYS A 76 11.782 11.066 -24.834 1.00 52.33 H new ATOM 0 HD3 LYS A 76 11.677 11.524 -23.146 1.00 52.33 H new ATOM 0 HE2 LYS A 76 14.022 11.373 -23.792 1.00 65.22 H new ATOM 0 HE3 LYS A 76 13.659 10.108 -22.634 1.00 65.22 H new ATOM 0 HZ1 LYS A 76 14.949 9.607 -24.846 1.00 24.23 H new ATOM 0 HZ2 LYS A 76 13.861 8.477 -24.196 1.00 24.23 H new ATOM 0 HZ3 LYS A 76 13.383 9.469 -25.488 1.00 24.23 H new ATOM 1172 N ILE A 77 7.346 8.593 -22.598 1.00 13.24 N ATOM 1173 CA ILE A 77 6.845 7.883 -21.427 1.00 62.45 C ATOM 1174 C ILE A 77 6.955 6.373 -21.613 1.00 21.14 C ATOM 1175 O ILE A 77 6.337 5.801 -22.511 1.00 25.32 O ATOM 1176 CB ILE A 77 5.378 8.247 -21.132 1.00 62.24 C ATOM 1177 CG1 ILE A 77 5.246 9.748 -20.867 1.00 21.10 C ATOM 1178 CG2 ILE A 77 4.862 7.446 -19.946 1.00 50.22 C ATOM 1179 CD1 ILE A 77 3.856 10.287 -21.122 1.00 33.53 C ATOM 0 H ILE A 77 6.924 8.303 -23.480 1.00 13.24 H new ATOM 0 HA ILE A 77 7.463 8.190 -20.583 1.00 62.45 H new ATOM 0 HB ILE A 77 4.774 7.997 -22.004 1.00 62.24 H new ATOM 0 HG12 ILE A 77 5.522 9.952 -19.832 1.00 21.10 H new ATOM 0 HG13 ILE A 77 5.956 10.284 -21.497 1.00 21.10 H new ATOM 0 HG21 ILE A 77 3.824 7.714 -19.750 1.00 50.22 H new ATOM 0 HG22 ILE A 77 4.925 6.381 -20.171 1.00 50.22 H new ATOM 0 HG23 ILE A 77 5.467 7.668 -19.067 1.00 50.22 H new ATOM 0 HD11 ILE A 77 3.837 11.357 -20.914 1.00 33.53 H new ATOM 0 HD12 ILE A 77 3.585 10.115 -22.164 1.00 33.53 H new ATOM 0 HD13 ILE A 77 3.144 9.778 -20.473 1.00 33.53 H new ATOM 1191 N ASP A 78 7.744 5.733 -20.756 1.00 13.40 N ATOM 1192 CA ASP A 78 7.933 4.289 -20.823 1.00 34.14 C ATOM 1193 C ASP A 78 6.840 3.562 -20.045 1.00 23.41 C ATOM 1194 O ASP A 78 6.605 3.846 -18.870 1.00 44.24 O ATOM 1195 CB ASP A 78 9.308 3.907 -20.273 1.00 11.01 C ATOM 1196 CG ASP A 78 10.405 4.830 -20.766 1.00 61.30 C ATOM 1197 OD1 ASP A 78 10.553 5.933 -20.199 1.00 30.42 O ATOM 1198 OD2 ASP A 78 11.117 4.449 -21.719 1.00 35.53 O ATOM 0 H ASP A 78 8.263 6.192 -20.007 1.00 13.40 H new ATOM 0 HA ASP A 78 7.872 3.987 -21.869 1.00 34.14 H new ATOM 0 HB2 ASP A 78 9.280 3.930 -19.184 1.00 11.01 H new ATOM 0 HB3 ASP A 78 9.541 2.883 -20.564 1.00 11.01 H new ATOM 1203 N VAL A 79 6.174 2.622 -20.708 1.00 63.43 N ATOM 1204 CA VAL A 79 5.107 1.853 -20.080 1.00 14.24 C ATOM 1205 C VAL A 79 5.088 0.417 -20.591 1.00 44.22 C ATOM 1206 O VAL A 79 5.410 0.157 -21.751 1.00 32.20 O ATOM 1207 CB VAL A 79 3.729 2.494 -20.333 1.00 43.53 C ATOM 1208 CG1 VAL A 79 3.737 3.958 -19.920 1.00 44.31 C ATOM 1209 CG2 VAL A 79 3.334 2.347 -21.795 1.00 25.30 C ATOM 0 H VAL A 79 6.355 2.375 -21.681 1.00 63.43 H new ATOM 0 HA VAL A 79 5.308 1.851 -19.009 1.00 14.24 H new ATOM 0 HB VAL A 79 2.989 1.974 -19.725 1.00 43.53 H new ATOM 0 HG11 VAL A 79 2.755 4.394 -20.106 1.00 44.31 H new ATOM 0 HG12 VAL A 79 3.973 4.035 -18.859 1.00 44.31 H new ATOM 0 HG13 VAL A 79 4.488 4.495 -20.499 1.00 44.31 H new ATOM 0 HG21 VAL A 79 2.358 2.805 -21.956 1.00 25.30 H new ATOM 0 HG22 VAL A 79 4.075 2.841 -22.424 1.00 25.30 H new ATOM 0 HG23 VAL A 79 3.285 1.289 -22.054 1.00 25.30 H new ATOM 1219 N ILE A 80 4.710 -0.511 -19.719 1.00 1.01 N ATOM 1220 CA ILE A 80 4.648 -1.921 -20.083 1.00 44.01 C ATOM 1221 C ILE A 80 3.215 -2.351 -20.376 1.00 10.12 C ATOM 1222 O ILE A 80 2.355 -2.319 -19.496 1.00 5.41 O ATOM 1223 CB ILE A 80 5.224 -2.816 -18.969 1.00 54.24 C ATOM 1224 CG1 ILE A 80 6.740 -2.950 -19.125 1.00 72.11 C ATOM 1225 CG2 ILE A 80 4.560 -4.185 -18.994 1.00 11.51 C ATOM 1226 CD1 ILE A 80 7.155 -3.716 -20.362 1.00 13.30 C ATOM 0 H ILE A 80 4.442 -0.312 -18.755 1.00 1.01 H new ATOM 0 HA ILE A 80 5.251 -2.041 -20.983 1.00 44.01 H new ATOM 0 HB ILE A 80 5.017 -2.351 -18.005 1.00 54.24 H new ATOM 0 HG12 ILE A 80 7.183 -1.955 -19.158 1.00 72.11 H new ATOM 0 HG13 ILE A 80 7.145 -3.450 -18.245 1.00 72.11 H new ATOM 0 HG21 ILE A 80 4.977 -4.806 -18.201 1.00 11.51 H new ATOM 0 HG22 ILE A 80 3.487 -4.072 -18.840 1.00 11.51 H new ATOM 0 HG23 ILE A 80 4.740 -4.659 -19.959 1.00 11.51 H new ATOM 0 HD11 ILE A 80 8.243 -3.772 -20.408 1.00 13.30 H new ATOM 0 HD12 ILE A 80 6.741 -4.724 -20.322 1.00 13.30 H new ATOM 0 HD13 ILE A 80 6.780 -3.205 -21.249 1.00 13.30 H new ATOM 1238 N GLU A 81 2.966 -2.755 -21.618 1.00 11.14 N ATOM 1239 CA GLU A 81 1.636 -3.193 -22.026 1.00 1.55 C ATOM 1240 C GLU A 81 1.597 -4.706 -22.220 1.00 0.43 C ATOM 1241 O GLU A 81 2.626 -5.338 -22.458 1.00 43.03 O ATOM 1242 CB GLU A 81 1.218 -2.490 -23.319 1.00 63.43 C ATOM 1243 CG GLU A 81 1.215 -0.975 -23.215 1.00 41.54 C ATOM 1244 CD GLU A 81 1.764 -0.303 -24.459 1.00 65.42 C ATOM 1245 OE1 GLU A 81 1.683 -0.913 -25.546 1.00 45.13 O ATOM 1246 OE2 GLU A 81 2.275 0.830 -24.346 1.00 3.32 O ATOM 0 H GLU A 81 3.667 -2.788 -22.358 1.00 11.14 H new ATOM 0 HA GLU A 81 0.935 -2.928 -21.234 1.00 1.55 H new ATOM 0 HB2 GLU A 81 1.894 -2.789 -24.120 1.00 63.43 H new ATOM 0 HB3 GLU A 81 0.221 -2.828 -23.600 1.00 63.43 H new ATOM 0 HG2 GLU A 81 0.197 -0.629 -23.039 1.00 41.54 H new ATOM 0 HG3 GLU A 81 1.808 -0.673 -22.352 1.00 41.54 H new ATOM 1253 N ILE A 82 0.403 -5.279 -22.115 1.00 10.11 N ATOM 1254 CA ILE A 82 0.229 -6.717 -22.279 1.00 44.23 C ATOM 1255 C ILE A 82 -0.261 -7.054 -23.683 1.00 73.41 C ATOM 1256 O ILE A 82 -1.273 -6.525 -24.143 1.00 35.34 O ATOM 1257 CB ILE A 82 -0.765 -7.285 -21.250 1.00 22.24 C ATOM 1258 CG1 ILE A 82 -0.433 -6.768 -19.848 1.00 51.14 C ATOM 1259 CG2 ILE A 82 -0.744 -8.806 -21.277 1.00 73.22 C ATOM 1260 CD1 ILE A 82 0.954 -7.145 -19.378 1.00 2.21 C ATOM 0 H ILE A 82 -0.458 -4.770 -21.917 1.00 10.11 H new ATOM 0 HA ILE A 82 1.206 -7.174 -22.118 1.00 44.23 H new ATOM 0 HB ILE A 82 -1.768 -6.950 -21.513 1.00 22.24 H new ATOM 0 HG12 ILE A 82 -0.529 -5.682 -19.838 1.00 51.14 H new ATOM 0 HG13 ILE A 82 -1.166 -7.159 -19.142 1.00 51.14 H new ATOM 0 HG21 ILE A 82 -1.452 -9.193 -20.544 1.00 73.22 H new ATOM 0 HG22 ILE A 82 -1.023 -9.156 -22.271 1.00 73.22 H new ATOM 0 HG23 ILE A 82 0.258 -9.160 -21.036 1.00 73.22 H new ATOM 0 HD11 ILE A 82 1.120 -6.746 -18.378 1.00 2.21 H new ATOM 0 HD12 ILE A 82 1.048 -8.231 -19.355 1.00 2.21 H new ATOM 0 HD13 ILE A 82 1.695 -6.731 -20.062 1.00 2.21 H new ATOM 1272 N VAL A 83 0.462 -7.941 -24.360 1.00 3.41 N ATOM 1273 CA VAL A 83 0.099 -8.352 -25.711 1.00 4.03 C ATOM 1274 C VAL A 83 0.169 -9.868 -25.861 1.00 52.50 C ATOM 1275 O VAL A 83 0.924 -10.551 -25.169 1.00 51.12 O ATOM 1276 CB VAL A 83 1.018 -7.700 -26.762 1.00 33.34 C ATOM 1277 CG1 VAL A 83 0.822 -6.192 -26.780 1.00 4.13 C ATOM 1278 CG2 VAL A 83 2.472 -8.055 -26.491 1.00 1.32 C ATOM 0 H VAL A 83 1.303 -8.389 -23.995 1.00 3.41 H new ATOM 0 HA VAL A 83 -0.925 -8.020 -25.879 1.00 4.03 H new ATOM 0 HB VAL A 83 0.751 -8.088 -27.745 1.00 33.34 H new ATOM 0 HG11 VAL A 83 1.479 -5.749 -27.528 1.00 4.13 H new ATOM 0 HG12 VAL A 83 -0.215 -5.963 -27.026 1.00 4.13 H new ATOM 0 HG13 VAL A 83 1.061 -5.782 -25.799 1.00 4.13 H new ATOM 0 HG21 VAL A 83 3.107 -7.586 -27.243 1.00 1.32 H new ATOM 0 HG22 VAL A 83 2.756 -7.697 -25.502 1.00 1.32 H new ATOM 0 HG23 VAL A 83 2.597 -9.137 -26.534 1.00 1.32 H new ATOM 1288 N PRO A 84 -0.637 -10.408 -26.787 1.00 51.21 N ATOM 1289 CA PRO A 84 -0.685 -11.849 -27.051 1.00 50.12 C ATOM 1290 C PRO A 84 0.587 -12.358 -27.720 1.00 22.30 C ATOM 1291 O PRO A 84 1.316 -11.594 -28.353 1.00 75.15 O ATOM 1292 CB PRO A 84 -1.881 -11.997 -27.995 1.00 12.02 C ATOM 1293 CG PRO A 84 -2.002 -10.671 -28.664 1.00 34.42 C ATOM 1294 CD PRO A 84 -1.563 -9.653 -27.648 1.00 74.31 C ATOM 0 HA PRO A 84 -0.775 -12.429 -26.132 1.00 50.12 H new ATOM 0 HB2 PRO A 84 -1.716 -12.793 -28.721 1.00 12.02 H new ATOM 0 HB3 PRO A 84 -2.789 -12.248 -27.447 1.00 12.02 H new ATOM 0 HG2 PRO A 84 -1.378 -10.626 -29.557 1.00 34.42 H new ATOM 0 HG3 PRO A 84 -3.028 -10.487 -28.983 1.00 34.42 H new ATOM 0 HD2 PRO A 84 -1.071 -8.802 -28.119 1.00 74.31 H new ATOM 0 HD3 PRO A 84 -2.408 -9.260 -27.082 1.00 74.31 H new ATOM 1302 N ASP A 85 0.848 -13.653 -27.575 1.00 44.32 N ATOM 1303 CA ASP A 85 2.033 -14.265 -28.167 1.00 14.51 C ATOM 1304 C ASP A 85 1.720 -14.828 -29.550 1.00 12.32 C ATOM 1305 O ASP A 85 2.607 -14.963 -30.391 1.00 51.34 O ATOM 1306 CB ASP A 85 2.567 -15.374 -27.260 1.00 11.13 C ATOM 1307 CG ASP A 85 3.880 -15.946 -27.757 1.00 31.13 C ATOM 1308 OD1 ASP A 85 4.523 -15.300 -28.609 1.00 45.43 O ATOM 1309 OD2 ASP A 85 4.264 -17.041 -27.294 1.00 15.12 O ATOM 0 H ASP A 85 0.256 -14.299 -27.053 1.00 44.32 H new ATOM 0 HA ASP A 85 2.796 -13.494 -28.273 1.00 14.51 H new ATOM 0 HB2 ASP A 85 2.703 -14.981 -26.252 1.00 11.13 H new ATOM 0 HB3 ASP A 85 1.828 -16.173 -27.194 1.00 11.13 H new ATOM 1314 N GLY A 86 0.451 -15.156 -29.777 1.00 4.13 N ATOM 1315 CA GLY A 86 0.044 -15.702 -31.058 1.00 44.12 C ATOM 1316 C GLY A 86 -0.688 -17.022 -30.920 1.00 24.11 C ATOM 1317 O GLY A 86 -1.350 -17.472 -31.854 1.00 62.11 O ATOM 0 H GLY A 86 -0.302 -15.053 -29.096 1.00 4.13 H new ATOM 0 HA2 GLY A 86 -0.600 -14.985 -31.567 1.00 44.12 H new ATOM 0 HA3 GLY A 86 0.924 -15.842 -31.686 1.00 44.12 H new ATOM 1321 N GLU A 87 -0.567 -17.644 -29.751 1.00 63.54 N ATOM 1322 CA GLU A 87 -1.221 -18.922 -29.496 1.00 63.51 C ATOM 1323 C GLU A 87 -2.331 -18.768 -28.461 1.00 32.11 C ATOM 1324 O GLU A 87 -3.365 -19.431 -28.540 1.00 3.14 O ATOM 1325 CB GLU A 87 -0.200 -19.956 -29.015 1.00 51.11 C ATOM 1326 CG GLU A 87 0.771 -19.416 -27.979 1.00 13.25 C ATOM 1327 CD GLU A 87 1.751 -20.466 -27.494 1.00 62.32 C ATOM 1328 OE1 GLU A 87 1.484 -21.668 -27.705 1.00 45.05 O ATOM 1329 OE2 GLU A 87 2.784 -20.087 -26.904 1.00 62.30 O ATOM 0 H GLU A 87 -0.023 -17.284 -28.967 1.00 63.54 H new ATOM 0 HA GLU A 87 -1.664 -19.267 -30.430 1.00 63.51 H new ATOM 0 HB2 GLU A 87 -0.731 -20.809 -28.593 1.00 51.11 H new ATOM 0 HB3 GLU A 87 0.364 -20.324 -29.872 1.00 51.11 H new ATOM 0 HG2 GLU A 87 1.323 -18.579 -28.406 1.00 13.25 H new ATOM 0 HG3 GLU A 87 0.210 -19.028 -27.129 1.00 13.25 H new ATOM 1336 N GLY A 88 -2.109 -17.888 -27.490 1.00 3.25 N ATOM 1337 CA GLY A 88 -3.098 -17.662 -26.452 1.00 21.21 C ATOM 1338 C GLY A 88 -2.506 -17.010 -25.218 1.00 62.22 C ATOM 1339 O GLY A 88 -3.206 -16.327 -24.473 1.00 12.04 O ATOM 0 H GLY A 88 -1.261 -17.327 -27.403 1.00 3.25 H new ATOM 0 HA2 GLY A 88 -3.895 -17.031 -26.845 1.00 21.21 H new ATOM 0 HA3 GLY A 88 -3.552 -18.613 -26.174 1.00 21.21 H new ATOM 1343 N ASN A 89 -1.212 -17.223 -25.002 1.00 21.04 N ATOM 1344 CA ASN A 89 -0.526 -16.653 -23.848 1.00 11.51 C ATOM 1345 C ASN A 89 -0.183 -15.186 -24.089 1.00 53.44 C ATOM 1346 O ASN A 89 -0.084 -14.741 -25.233 1.00 61.21 O ATOM 1347 CB ASN A 89 0.749 -17.442 -23.544 1.00 74.41 C ATOM 1348 CG ASN A 89 0.546 -18.940 -23.674 1.00 52.42 C ATOM 1349 OD1 ASN A 89 0.912 -19.488 -24.827 1.00 51.01 O flip ATOM 1350 ND2 ASN A 89 0.066 -19.595 -22.749 1.00 32.11 N flip ATOM 0 H ASN A 89 -0.618 -17.786 -25.611 1.00 21.04 H new ATOM 0 HA ASN A 89 -1.197 -16.716 -22.991 1.00 11.51 H new ATOM 0 HB2 ASN A 89 1.540 -17.125 -24.223 1.00 74.41 H new ATOM 0 HB3 ASN A 89 1.085 -17.210 -22.533 1.00 74.41 H new ATOM 0 HD21 ASN A 89 -0.201 -19.131 -21.881 1.00 32.11 H new ATOM 0 HD22 ASN A 89 -0.065 -20.601 -22.851 1.00 32.11 H new ATOM 1357 N TRP A 90 -0.004 -14.440 -23.005 1.00 45.13 N ATOM 1358 CA TRP A 90 0.329 -13.023 -23.099 1.00 51.22 C ATOM 1359 C TRP A 90 1.783 -12.778 -22.713 1.00 23.05 C ATOM 1360 O TRP A 90 2.425 -13.632 -22.099 1.00 41.12 O ATOM 1361 CB TRP A 90 -0.596 -12.200 -22.201 1.00 31.33 C ATOM 1362 CG TRP A 90 -2.050 -12.390 -22.513 1.00 3.25 C ATOM 1363 CD1 TRP A 90 -2.866 -13.380 -22.045 1.00 61.24 C ATOM 1364 CD2 TRP A 90 -2.858 -11.568 -23.362 1.00 32.22 C ATOM 1365 NE1 TRP A 90 -4.133 -13.224 -22.553 1.00 50.23 N ATOM 1366 CE2 TRP A 90 -4.155 -12.119 -23.363 1.00 23.11 C ATOM 1367 CE3 TRP A 90 -2.614 -10.420 -24.120 1.00 2.13 C ATOM 1368 CZ2 TRP A 90 -5.200 -11.560 -24.093 1.00 61.34 C ATOM 1369 CZ3 TRP A 90 -3.652 -9.867 -24.844 1.00 52.35 C ATOM 1370 CH2 TRP A 90 -4.932 -10.436 -24.827 1.00 33.34 C ATOM 0 H TRP A 90 -0.084 -14.792 -22.051 1.00 45.13 H new ATOM 0 HA TRP A 90 0.191 -12.711 -24.134 1.00 51.22 H new ATOM 0 HB2 TRP A 90 -0.416 -12.471 -21.161 1.00 31.33 H new ATOM 0 HB3 TRP A 90 -0.345 -11.144 -22.303 1.00 31.33 H new ATOM 0 HD1 TRP A 90 -2.560 -14.169 -21.374 1.00 61.24 H new ATOM 0 HE1 TRP A 90 -4.928 -13.832 -22.359 1.00 50.23 H new ATOM 0 HE3 TRP A 90 -1.631 -9.973 -24.139 1.00 2.13 H new ATOM 0 HZ2 TRP A 90 -6.187 -11.998 -24.081 1.00 61.34 H new ATOM 0 HZ3 TRP A 90 -3.474 -8.980 -25.434 1.00 52.35 H new ATOM 0 HH2 TRP A 90 -5.722 -9.979 -25.404 1.00 33.34 H new ATOM 1381 N LEU A 91 2.298 -11.608 -23.074 1.00 1.01 N ATOM 1382 CA LEU A 91 3.678 -11.251 -22.764 1.00 1.21 C ATOM 1383 C LEU A 91 3.820 -9.745 -22.567 1.00 52.13 C ATOM 1384 O LEU A 91 2.929 -8.976 -22.928 1.00 22.21 O ATOM 1385 CB LEU A 91 4.611 -11.721 -23.882 1.00 13.33 C ATOM 1386 CG LEU A 91 5.072 -13.176 -23.803 1.00 65.31 C ATOM 1387 CD1 LEU A 91 5.756 -13.590 -25.097 1.00 75.23 C ATOM 1388 CD2 LEU A 91 6.006 -13.376 -22.618 1.00 35.52 C ATOM 0 H LEU A 91 1.781 -10.890 -23.582 1.00 1.01 H new ATOM 0 HA LEU A 91 3.956 -11.748 -21.835 1.00 1.21 H new ATOM 0 HB2 LEU A 91 4.106 -11.572 -24.836 1.00 13.33 H new ATOM 0 HB3 LEU A 91 5.493 -11.081 -23.885 1.00 13.33 H new ATOM 0 HG LEU A 91 4.195 -13.807 -23.660 1.00 65.31 H new ATOM 0 HD11 LEU A 91 6.078 -14.629 -25.022 1.00 75.23 H new ATOM 0 HD12 LEU A 91 5.058 -13.485 -25.927 1.00 75.23 H new ATOM 0 HD13 LEU A 91 6.624 -12.953 -25.270 1.00 75.23 H new ATOM 0 HD21 LEU A 91 6.324 -14.418 -22.577 1.00 35.52 H new ATOM 0 HD22 LEU A 91 6.880 -12.734 -22.731 1.00 35.52 H new ATOM 0 HD23 LEU A 91 5.484 -13.120 -21.696 1.00 35.52 H new ATOM 1400 N GLU A 92 4.946 -9.331 -21.995 1.00 63.30 N ATOM 1401 CA GLU A 92 5.204 -7.917 -21.752 1.00 43.24 C ATOM 1402 C GLU A 92 5.565 -7.199 -23.050 1.00 34.11 C ATOM 1403 O GLU A 92 6.193 -7.777 -23.937 1.00 50.52 O ATOM 1404 CB GLU A 92 6.333 -7.749 -20.733 1.00 64.14 C ATOM 1405 CG GLU A 92 7.651 -8.362 -21.178 1.00 53.12 C ATOM 1406 CD GLU A 92 8.785 -8.069 -20.216 1.00 1.43 C ATOM 1407 OE1 GLU A 92 8.499 -7.720 -19.051 1.00 51.21 O ATOM 1408 OE2 GLU A 92 9.958 -8.187 -20.626 1.00 63.55 O ATOM 0 H GLU A 92 5.694 -9.955 -21.691 1.00 63.30 H new ATOM 0 HA GLU A 92 4.293 -7.472 -21.351 1.00 43.24 H new ATOM 0 HB2 GLU A 92 6.483 -6.687 -20.541 1.00 64.14 H new ATOM 0 HB3 GLU A 92 6.030 -8.204 -19.790 1.00 64.14 H new ATOM 0 HG2 GLU A 92 7.531 -9.441 -21.275 1.00 53.12 H new ATOM 0 HG3 GLU A 92 7.910 -7.980 -22.166 1.00 53.12 H new ATOM 1415 N ARG A 93 5.161 -5.937 -23.153 1.00 5.14 N ATOM 1416 CA ARG A 93 5.440 -5.140 -24.342 1.00 33.34 C ATOM 1417 C ARG A 93 5.864 -3.725 -23.961 1.00 15.23 C ATOM 1418 O ARG A 93 5.038 -2.826 -23.799 1.00 2.35 O ATOM 1419 CB ARG A 93 4.208 -5.089 -25.247 1.00 34.01 C ATOM 1420 CG ARG A 93 4.514 -4.643 -26.667 1.00 53.23 C ATOM 1421 CD ARG A 93 5.407 -5.643 -27.385 1.00 55.22 C ATOM 1422 NE ARG A 93 5.381 -5.458 -28.834 1.00 21.04 N ATOM 1423 CZ ARG A 93 5.815 -6.368 -29.698 1.00 61.23 C ATOM 1424 NH1 ARG A 93 6.305 -7.521 -29.263 1.00 1.42 N ATOM 1425 NH2 ARG A 93 5.759 -6.127 -31.002 1.00 0.41 N ATOM 0 H ARG A 93 4.640 -5.444 -22.428 1.00 5.14 H new ATOM 0 HA ARG A 93 6.260 -5.613 -24.882 1.00 33.34 H new ATOM 0 HB2 ARG A 93 3.748 -6.077 -25.277 1.00 34.01 H new ATOM 0 HB3 ARG A 93 3.476 -4.409 -24.812 1.00 34.01 H new ATOM 0 HG2 ARG A 93 3.583 -4.522 -27.220 1.00 53.23 H new ATOM 0 HG3 ARG A 93 5.001 -3.668 -26.646 1.00 53.23 H new ATOM 0 HD2 ARG A 93 6.430 -5.539 -27.025 1.00 55.22 H new ATOM 0 HD3 ARG A 93 5.085 -6.656 -27.143 1.00 55.22 H new ATOM 0 HE ARG A 93 5.009 -4.582 -29.202 1.00 21.04 H new ATOM 0 HH11 ARG A 93 6.349 -7.711 -28.262 1.00 1.42 H new ATOM 0 HH12 ARG A 93 6.637 -8.218 -29.930 1.00 1.42 H new ATOM 0 HH21 ARG A 93 5.382 -5.242 -31.341 1.00 0.41 H new ATOM 0 HH22 ARG A 93 6.093 -6.827 -31.665 1.00 0.41 H new ATOM 1439 N PRO A 94 7.181 -3.521 -23.814 1.00 10.34 N ATOM 1440 CA PRO A 94 7.744 -2.217 -23.450 1.00 64.01 C ATOM 1441 C PRO A 94 7.612 -1.195 -24.574 1.00 1.33 C ATOM 1442 O PRO A 94 8.334 -1.256 -25.569 1.00 51.42 O ATOM 1443 CB PRO A 94 9.219 -2.530 -23.183 1.00 13.13 C ATOM 1444 CG PRO A 94 9.499 -3.752 -23.988 1.00 13.15 C ATOM 1445 CD PRO A 94 8.222 -4.547 -23.991 1.00 42.33 C ATOM 0 HA PRO A 94 7.227 -1.773 -22.599 1.00 64.01 H new ATOM 0 HB2 PRO A 94 9.860 -1.702 -23.485 1.00 13.13 H new ATOM 0 HB3 PRO A 94 9.401 -2.704 -22.123 1.00 13.13 H new ATOM 0 HG2 PRO A 94 9.798 -3.491 -25.003 1.00 13.15 H new ATOM 0 HG3 PRO A 94 10.316 -4.327 -23.553 1.00 13.15 H new ATOM 0 HD2 PRO A 94 8.092 -5.095 -24.924 1.00 42.33 H new ATOM 0 HD3 PRO A 94 8.204 -5.281 -23.185 1.00 42.33 H new ATOM 1453 N ARG A 95 6.686 -0.256 -24.407 1.00 61.04 N ATOM 1454 CA ARG A 95 6.459 0.779 -25.409 1.00 2.24 C ATOM 1455 C ARG A 95 6.701 2.166 -24.821 1.00 12.44 C ATOM 1456 O ARG A 95 6.435 2.407 -23.643 1.00 51.41 O ATOM 1457 CB ARG A 95 5.033 0.686 -25.955 1.00 44.40 C ATOM 1458 CG ARG A 95 4.907 -0.208 -27.177 1.00 75.32 C ATOM 1459 CD ARG A 95 3.709 0.180 -28.030 1.00 42.53 C ATOM 1460 NE ARG A 95 3.842 -0.290 -29.406 1.00 51.15 N ATOM 1461 CZ ARG A 95 3.645 -1.551 -29.774 1.00 62.12 C ATOM 1462 NH1 ARG A 95 3.308 -2.463 -28.873 1.00 24.22 N ATOM 1463 NH2 ARG A 95 3.785 -1.902 -31.046 1.00 71.13 N ATOM 0 H ARG A 95 6.081 -0.191 -23.588 1.00 61.04 H new ATOM 0 HA ARG A 95 7.164 0.621 -26.225 1.00 2.24 H new ATOM 0 HB2 ARG A 95 4.376 0.310 -25.171 1.00 44.40 H new ATOM 0 HB3 ARG A 95 4.684 1.687 -26.210 1.00 44.40 H new ATOM 0 HG2 ARG A 95 5.817 -0.141 -27.774 1.00 75.32 H new ATOM 0 HG3 ARG A 95 4.809 -1.247 -26.861 1.00 75.32 H new ATOM 0 HD2 ARG A 95 2.802 -0.235 -27.591 1.00 42.53 H new ATOM 0 HD3 ARG A 95 3.597 1.264 -28.026 1.00 42.53 H new ATOM 0 HE ARG A 95 4.100 0.387 -30.124 1.00 51.15 H new ATOM 0 HH11 ARG A 95 3.199 -2.197 -27.894 1.00 24.22 H new ATOM 0 HH12 ARG A 95 3.157 -3.431 -29.158 1.00 24.22 H new ATOM 0 HH21 ARG A 95 4.044 -1.203 -31.742 1.00 71.13 H new ATOM 0 HH22 ARG A 95 3.633 -2.871 -31.327 1.00 71.13 H new ATOM 1477 N SER A 96 7.207 3.075 -25.649 1.00 32.33 N ATOM 1478 CA SER A 96 7.488 4.436 -25.210 1.00 4.50 C ATOM 1479 C SER A 96 6.608 5.439 -25.951 1.00 23.24 C ATOM 1480 O SER A 96 6.612 5.496 -27.181 1.00 71.30 O ATOM 1481 CB SER A 96 8.964 4.772 -25.435 1.00 10.41 C ATOM 1482 OG SER A 96 9.622 3.733 -26.138 1.00 23.12 O ATOM 0 H SER A 96 7.430 2.893 -26.627 1.00 32.33 H new ATOM 0 HA SER A 96 7.265 4.501 -24.145 1.00 4.50 H new ATOM 0 HB2 SER A 96 9.047 5.703 -25.995 1.00 10.41 H new ATOM 0 HB3 SER A 96 9.454 4.933 -24.475 1.00 10.41 H new ATOM 0 HG SER A 96 10.563 3.973 -26.271 1.00 23.12 H new ATOM 1488 N LEU A 97 5.855 6.228 -25.193 1.00 31.23 N ATOM 1489 CA LEU A 97 4.969 7.229 -25.775 1.00 55.35 C ATOM 1490 C LEU A 97 5.655 8.590 -25.845 1.00 31.41 C ATOM 1491 O LEU A 97 5.803 9.276 -24.833 1.00 32.42 O ATOM 1492 CB LEU A 97 3.680 7.336 -24.958 1.00 3.54 C ATOM 1493 CG LEU A 97 3.124 6.023 -24.407 1.00 12.14 C ATOM 1494 CD1 LEU A 97 1.784 6.255 -23.726 1.00 74.02 C ATOM 1495 CD2 LEU A 97 2.988 4.993 -25.518 1.00 44.05 C ATOM 0 H LEU A 97 5.840 6.194 -24.174 1.00 31.23 H new ATOM 0 HA LEU A 97 4.724 6.914 -26.789 1.00 55.35 H new ATOM 0 HB2 LEU A 97 3.859 8.011 -24.121 1.00 3.54 H new ATOM 0 HB3 LEU A 97 2.915 7.798 -25.582 1.00 3.54 H new ATOM 0 HG LEU A 97 3.824 5.637 -23.665 1.00 12.14 H new ATOM 0 HD11 LEU A 97 1.403 5.309 -23.340 1.00 74.02 H new ATOM 0 HD12 LEU A 97 1.911 6.958 -22.903 1.00 74.02 H new ATOM 0 HD13 LEU A 97 1.076 6.664 -24.446 1.00 74.02 H new ATOM 0 HD21 LEU A 97 2.591 4.065 -25.107 1.00 44.05 H new ATOM 0 HD22 LEU A 97 2.310 5.371 -26.283 1.00 44.05 H new ATOM 0 HD23 LEU A 97 3.966 4.804 -25.961 1.00 44.05 H new ATOM 1507 N THR A 98 6.071 8.976 -27.047 1.00 3.11 N ATOM 1508 CA THR A 98 6.741 10.255 -27.249 1.00 71.32 C ATOM 1509 C THR A 98 5.735 11.398 -27.315 1.00 73.15 C ATOM 1510 O THR A 98 4.586 11.205 -27.716 1.00 40.12 O ATOM 1511 CB THR A 98 7.582 10.250 -28.540 1.00 13.51 C ATOM 1512 OG1 THR A 98 6.722 10.292 -29.685 1.00 24.35 O ATOM 1513 CG2 THR A 98 8.465 9.013 -28.607 1.00 14.55 C ATOM 0 H THR A 98 5.956 8.421 -27.895 1.00 3.11 H new ATOM 0 HA THR A 98 7.401 10.405 -26.395 1.00 71.32 H new ATOM 0 HB THR A 98 8.222 11.133 -28.534 1.00 13.51 H new ATOM 0 HG1 THR A 98 7.264 10.290 -30.501 1.00 24.35 H new ATOM 0 HG21 THR A 98 9.049 9.032 -29.527 1.00 14.55 H new ATOM 0 HG22 THR A 98 9.138 9.000 -27.750 1.00 14.55 H new ATOM 0 HG23 THR A 98 7.841 8.119 -28.592 1.00 14.55 H new ATOM 1521 N LEU A 99 6.172 12.588 -26.921 1.00 44.51 N ATOM 1522 CA LEU A 99 5.309 13.764 -26.937 1.00 3.55 C ATOM 1523 C LEU A 99 4.651 13.939 -28.301 1.00 42.14 C ATOM 1524 O LEU A 99 5.301 13.805 -29.338 1.00 64.43 O ATOM 1525 CB LEU A 99 6.114 15.016 -26.582 1.00 14.35 C ATOM 1526 CG LEU A 99 5.389 16.062 -25.733 1.00 32.52 C ATOM 1527 CD1 LEU A 99 5.344 15.628 -24.276 1.00 12.12 C ATOM 1528 CD2 LEU A 99 6.064 17.419 -25.867 1.00 32.32 C ATOM 0 H LEU A 99 7.119 12.765 -26.586 1.00 44.51 H new ATOM 0 HA LEU A 99 4.526 13.619 -26.193 1.00 3.55 H new ATOM 0 HB2 LEU A 99 7.014 14.706 -26.051 1.00 14.35 H new ATOM 0 HB3 LEU A 99 6.438 15.490 -27.508 1.00 14.35 H new ATOM 0 HG LEU A 99 4.365 16.151 -26.096 1.00 32.52 H new ATOM 0 HD11 LEU A 99 4.825 16.384 -23.687 1.00 12.12 H new ATOM 0 HD12 LEU A 99 4.815 14.679 -24.195 1.00 12.12 H new ATOM 0 HD13 LEU A 99 6.360 15.510 -23.900 1.00 12.12 H new ATOM 0 HD21 LEU A 99 5.535 18.151 -25.256 1.00 32.32 H new ATOM 0 HD22 LEU A 99 7.098 17.346 -25.531 1.00 32.32 H new ATOM 0 HD23 LEU A 99 6.043 17.734 -26.910 1.00 32.32 H new