USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 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 Single : A 27 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.5!) USER MOD Single : A 30 THR OG1 : rot -69:sc= 0.621 USER MOD Single : A 33 MET CE :methyl -170:sc= -9.34! (180deg=-9.76!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.8 K(o=-2.8,f=-4.9!) USER MOD Single : A 41 GLN : amide:sc= -0.452 K(o=-0.45,f=-2.2!) 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= -3.45 K(o=-3.5,f=-4.9) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.381 K(o=-0.38,f=-3.1!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -150:sc= -0.689 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.77 K(o=-2.8,f=-4.4!) 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 -9.871 4.495 -12.340 1.00 20.24 N ATOM 360 CA PHE A 22 -10.806 4.626 -13.451 1.00 11.32 C ATOM 361 C PHE A 22 -10.093 4.439 -14.787 1.00 30.43 C ATOM 362 O PHE A 22 -10.692 3.991 -15.766 1.00 2.22 O ATOM 363 CB PHE A 22 -11.488 5.995 -13.412 1.00 11.41 C ATOM 364 CG PHE A 22 -12.268 6.312 -14.656 1.00 2.31 C ATOM 365 CD1 PHE A 22 -11.658 6.938 -15.731 1.00 65.44 C ATOM 366 CD2 PHE A 22 -13.611 5.985 -14.750 1.00 63.41 C ATOM 367 CE1 PHE A 22 -12.373 7.231 -16.877 1.00 30.02 C ATOM 368 CE2 PHE A 22 -14.331 6.275 -15.893 1.00 52.14 C ATOM 369 CZ PHE A 22 -13.711 6.898 -16.958 1.00 51.25 C ATOM 0 HA PHE A 22 -11.562 3.847 -13.351 1.00 11.32 H new ATOM 0 HB2 PHE A 22 -12.158 6.034 -12.553 1.00 11.41 H new ATOM 0 HB3 PHE A 22 -10.731 6.765 -13.261 1.00 11.41 H new ATOM 0 HD1 PHE A 22 -10.612 7.200 -15.673 1.00 65.44 H new ATOM 0 HD2 PHE A 22 -14.101 5.498 -13.920 1.00 63.41 H new ATOM 0 HE1 PHE A 22 -11.886 7.720 -17.708 1.00 30.02 H new ATOM 0 HE2 PHE A 22 -15.377 6.015 -15.953 1.00 52.14 H new ATOM 0 HZ PHE A 22 -14.271 7.125 -17.853 1.00 51.25 H new ATOM 379 N LEU A 23 -8.811 4.784 -14.820 1.00 2.24 N ATOM 380 CA LEU A 23 -8.014 4.655 -16.035 1.00 74.20 C ATOM 381 C LEU A 23 -7.228 3.348 -16.035 1.00 35.55 C ATOM 382 O LEU A 23 -6.990 2.756 -17.087 1.00 22.13 O ATOM 383 CB LEU A 23 -7.056 5.839 -16.169 1.00 2.43 C ATOM 384 CG LEU A 23 -7.609 7.201 -15.748 1.00 51.41 C ATOM 385 CD1 LEU A 23 -6.594 7.951 -14.899 1.00 71.13 C ATOM 386 CD2 LEU A 23 -7.994 8.021 -16.971 1.00 1.30 C ATOM 0 H LEU A 23 -8.301 5.156 -14.019 1.00 2.24 H new ATOM 0 HA LEU A 23 -8.695 4.648 -16.886 1.00 74.20 H new ATOM 0 HB2 LEU A 23 -6.167 5.630 -15.574 1.00 2.43 H new ATOM 0 HB3 LEU A 23 -6.735 5.905 -17.209 1.00 2.43 H new ATOM 0 HG LEU A 23 -8.504 7.038 -15.147 1.00 51.41 H new ATOM 0 HD11 LEU A 23 -7.006 8.918 -14.609 1.00 71.13 H new ATOM 0 HD12 LEU A 23 -6.367 7.370 -14.005 1.00 71.13 H new ATOM 0 HD13 LEU A 23 -5.680 8.103 -15.474 1.00 71.13 H new ATOM 0 HD21 LEU A 23 -8.386 8.987 -16.653 1.00 1.30 H new ATOM 0 HD22 LEU A 23 -7.115 8.174 -17.598 1.00 1.30 H new ATOM 0 HD23 LEU A 23 -8.757 7.490 -17.540 1.00 1.30 H new ATOM 398 N GLU A 24 -6.831 2.902 -14.847 1.00 12.24 N ATOM 399 CA GLU A 24 -6.074 1.664 -14.710 1.00 65.22 C ATOM 400 C GLU A 24 -6.934 0.457 -15.073 1.00 20.24 C ATOM 401 O GLU A 24 -6.447 -0.671 -15.131 1.00 60.41 O ATOM 402 CB GLU A 24 -5.546 1.517 -13.281 1.00 51.34 C ATOM 403 CG GLU A 24 -4.550 2.595 -12.887 1.00 31.22 C ATOM 404 CD GLU A 24 -4.034 2.422 -11.472 1.00 24.24 C ATOM 405 OE1 GLU A 24 -4.561 1.549 -10.751 1.00 22.50 O ATOM 406 OE2 GLU A 24 -3.103 3.159 -11.085 1.00 12.24 O ATOM 0 H GLU A 24 -7.021 3.380 -13.966 1.00 12.24 H new ATOM 0 HA GLU A 24 -5.230 1.707 -15.398 1.00 65.22 H new ATOM 0 HB2 GLU A 24 -6.387 1.540 -12.588 1.00 51.34 H new ATOM 0 HB3 GLU A 24 -5.073 0.541 -13.176 1.00 51.34 H new ATOM 0 HG2 GLU A 24 -3.710 2.579 -13.581 1.00 31.22 H new ATOM 0 HG3 GLU A 24 -5.022 3.573 -12.981 1.00 31.22 H new ATOM 413 N GLY A 25 -8.218 0.704 -15.315 1.00 21.23 N ATOM 414 CA GLY A 25 -9.126 -0.371 -15.668 1.00 35.44 C ATOM 415 C GLY A 25 -9.102 -0.689 -17.150 1.00 3.54 C ATOM 416 O GLY A 25 -9.596 -1.732 -17.577 1.00 24.31 O ATOM 0 H GLY A 25 -8.645 1.629 -15.273 1.00 21.23 H new ATOM 0 HA2 GLY A 25 -8.862 -1.265 -15.104 1.00 35.44 H new ATOM 0 HA3 GLY A 25 -10.139 -0.097 -15.375 1.00 35.44 H new ATOM 420 N PHE A 26 -8.527 0.215 -17.937 1.00 22.42 N ATOM 421 CA PHE A 26 -8.442 0.027 -19.381 1.00 11.25 C ATOM 422 C PHE A 26 -7.028 -0.368 -19.796 1.00 1.23 C ATOM 423 O PHE A 26 -6.172 -0.629 -18.951 1.00 50.15 O ATOM 424 CB PHE A 26 -8.860 1.307 -20.108 1.00 35.14 C ATOM 425 CG PHE A 26 -10.218 1.808 -19.705 1.00 42.53 C ATOM 426 CD1 PHE A 26 -11.366 1.206 -20.193 1.00 33.11 C ATOM 427 CD2 PHE A 26 -10.345 2.883 -18.840 1.00 13.02 C ATOM 428 CE1 PHE A 26 -12.617 1.665 -19.824 1.00 61.23 C ATOM 429 CE2 PHE A 26 -11.593 3.346 -18.467 1.00 71.14 C ATOM 430 CZ PHE A 26 -12.730 2.737 -18.961 1.00 73.12 C ATOM 0 H PHE A 26 -8.113 1.084 -17.599 1.00 22.42 H new ATOM 0 HA PHE A 26 -9.121 -0.779 -19.658 1.00 11.25 H new ATOM 0 HB2 PHE A 26 -8.122 2.084 -19.912 1.00 35.14 H new ATOM 0 HB3 PHE A 26 -8.853 1.124 -21.183 1.00 35.14 H new ATOM 0 HD1 PHE A 26 -11.283 0.368 -20.870 1.00 33.11 H new ATOM 0 HD2 PHE A 26 -9.459 3.365 -18.453 1.00 13.02 H new ATOM 0 HE1 PHE A 26 -13.504 1.186 -20.210 1.00 61.23 H new ATOM 0 HE2 PHE A 26 -11.679 4.183 -17.790 1.00 71.14 H new ATOM 0 HZ PHE A 26 -13.706 3.099 -18.673 1.00 73.12 H new ATOM 440 N ASN A 27 -6.791 -0.410 -21.103 1.00 13.31 N ATOM 441 CA ASN A 27 -5.482 -0.774 -21.631 1.00 43.03 C ATOM 442 C ASN A 27 -4.562 0.442 -21.692 1.00 30.14 C ATOM 443 O ASN A 27 -5.017 1.582 -21.599 1.00 54.20 O ATOM 444 CB ASN A 27 -5.624 -1.389 -23.025 1.00 31.32 C ATOM 445 CG ASN A 27 -5.796 -2.895 -22.977 1.00 64.40 C ATOM 446 OD1 ASN A 27 -5.610 -3.520 -21.932 1.00 44.44 O ATOM 447 ND2 ASN A 27 -6.152 -3.486 -24.112 1.00 31.35 N ATOM 0 H ASN A 27 -7.489 -0.196 -21.816 1.00 13.31 H new ATOM 0 HA ASN A 27 -5.039 -1.510 -20.959 1.00 43.03 H new ATOM 0 HB2 ASN A 27 -6.481 -0.944 -23.530 1.00 31.32 H new ATOM 0 HB3 ASN A 27 -4.743 -1.145 -23.618 1.00 31.32 H new ATOM 0 HD21 ASN A 27 -6.282 -4.497 -24.141 1.00 31.35 H new ATOM 0 HD22 ASN A 27 -6.295 -2.929 -24.954 1.00 31.35 H new ATOM 454 N ILE A 28 -3.267 0.190 -21.848 1.00 22.12 N ATOM 455 CA ILE A 28 -2.284 1.264 -21.922 1.00 62.43 C ATOM 456 C ILE A 28 -2.156 1.794 -23.346 1.00 51.21 C ATOM 457 O ILE A 28 -1.816 2.958 -23.557 1.00 31.14 O ATOM 458 CB ILE A 28 -0.900 0.795 -21.435 1.00 70.31 C ATOM 459 CG1 ILE A 28 0.085 1.965 -21.426 1.00 42.31 C ATOM 460 CG2 ILE A 28 -0.383 -0.333 -22.315 1.00 61.34 C ATOM 461 CD1 ILE A 28 -0.309 3.080 -20.482 1.00 71.25 C ATOM 0 H ILE A 28 -2.874 -0.748 -21.926 1.00 22.12 H new ATOM 0 HA ILE A 28 -2.639 2.062 -21.270 1.00 62.43 H new ATOM 0 HB ILE A 28 -0.998 0.419 -20.417 1.00 70.31 H new ATOM 0 HG12 ILE A 28 1.072 1.596 -21.148 1.00 42.31 H new ATOM 0 HG13 ILE A 28 0.168 2.367 -22.436 1.00 42.31 H new ATOM 0 HG21 ILE A 28 0.596 -0.653 -21.958 1.00 61.34 H new ATOM 0 HG22 ILE A 28 -1.077 -1.173 -22.275 1.00 61.34 H new ATOM 0 HG23 ILE A 28 -0.297 0.018 -23.343 1.00 61.34 H new ATOM 0 HD11 ILE A 28 0.435 3.875 -20.528 1.00 71.25 H new ATOM 0 HD12 ILE A 28 -1.282 3.476 -20.773 1.00 71.25 H new ATOM 0 HD13 ILE A 28 -0.364 2.693 -19.465 1.00 71.25 H new ATOM 473 N GLU A 29 -2.433 0.933 -24.320 1.00 70.30 N ATOM 474 CA GLU A 29 -2.350 1.316 -25.724 1.00 62.05 C ATOM 475 C GLU A 29 -3.545 2.177 -26.125 1.00 64.53 C ATOM 476 O GLU A 29 -3.466 2.971 -27.063 1.00 74.54 O ATOM 477 CB GLU A 29 -2.283 0.072 -26.613 1.00 22.35 C ATOM 478 CG GLU A 29 -3.558 -0.755 -26.599 1.00 65.11 C ATOM 479 CD GLU A 29 -3.588 -1.797 -27.700 1.00 75.31 C ATOM 480 OE1 GLU A 29 -2.518 -2.355 -28.020 1.00 51.24 O ATOM 481 OE2 GLU A 29 -4.684 -2.055 -28.241 1.00 72.42 O ATOM 0 H GLU A 29 -2.717 -0.034 -24.162 1.00 70.30 H new ATOM 0 HA GLU A 29 -1.440 1.901 -25.861 1.00 62.05 H new ATOM 0 HB2 GLU A 29 -2.070 0.379 -27.637 1.00 22.35 H new ATOM 0 HB3 GLU A 29 -1.451 -0.553 -26.288 1.00 22.35 H new ATOM 0 HG2 GLU A 29 -3.655 -1.250 -25.633 1.00 65.11 H new ATOM 0 HG3 GLU A 29 -4.417 -0.093 -26.706 1.00 65.11 H new ATOM 488 N THR A 30 -4.652 2.013 -25.408 1.00 22.23 N ATOM 489 CA THR A 30 -5.864 2.772 -25.688 1.00 43.03 C ATOM 490 C THR A 30 -5.635 4.266 -25.488 1.00 73.14 C ATOM 491 O THR A 30 -6.373 5.094 -26.024 1.00 25.11 O ATOM 492 CB THR A 30 -7.031 2.318 -24.792 1.00 11.23 C ATOM 493 OG1 THR A 30 -6.666 2.441 -23.413 1.00 12.45 O ATOM 494 CG2 THR A 30 -7.417 0.878 -25.093 1.00 25.21 C ATOM 0 H THR A 30 -4.734 1.361 -24.628 1.00 22.23 H new ATOM 0 HA THR A 30 -6.122 2.583 -26.730 1.00 43.03 H new ATOM 0 HB THR A 30 -7.889 2.958 -24.999 1.00 11.23 H new ATOM 0 HG1 THR A 30 -5.979 1.777 -23.196 1.00 12.45 H new ATOM 0 HG21 THR A 30 -8.243 0.580 -24.448 1.00 25.21 H new ATOM 0 HG22 THR A 30 -7.723 0.794 -26.136 1.00 25.21 H new ATOM 0 HG23 THR A 30 -6.562 0.227 -24.912 1.00 25.21 H new ATOM 502 N PHE A 31 -4.609 4.605 -24.715 1.00 32.41 N ATOM 503 CA PHE A 31 -4.284 6.000 -24.444 1.00 42.02 C ATOM 504 C PHE A 31 -3.303 6.541 -25.480 1.00 65.42 C ATOM 505 O PHE A 31 -2.458 5.806 -25.992 1.00 55.24 O ATOM 506 CB PHE A 31 -3.692 6.145 -23.041 1.00 32.25 C ATOM 507 CG PHE A 31 -4.489 5.442 -21.979 1.00 10.22 C ATOM 508 CD1 PHE A 31 -5.870 5.371 -22.063 1.00 51.35 C ATOM 509 CD2 PHE A 31 -3.857 4.853 -20.896 1.00 1.03 C ATOM 510 CE1 PHE A 31 -6.606 4.725 -21.088 1.00 54.23 C ATOM 511 CE2 PHE A 31 -4.588 4.205 -19.918 1.00 2.22 C ATOM 512 CZ PHE A 31 -5.964 4.142 -20.014 1.00 13.35 C ATOM 0 H PHE A 31 -3.988 3.932 -24.265 1.00 32.41 H new ATOM 0 HA PHE A 31 -5.205 6.579 -24.504 1.00 42.02 H new ATOM 0 HB2 PHE A 31 -2.676 5.751 -23.042 1.00 32.25 H new ATOM 0 HB3 PHE A 31 -3.624 7.204 -22.792 1.00 32.25 H new ATOM 0 HD1 PHE A 31 -6.378 5.826 -22.901 1.00 51.35 H new ATOM 0 HD2 PHE A 31 -2.781 4.901 -20.815 1.00 1.03 H new ATOM 0 HE1 PHE A 31 -7.682 4.676 -21.166 1.00 54.23 H new ATOM 0 HE2 PHE A 31 -4.083 3.748 -19.079 1.00 2.22 H new ATOM 0 HZ PHE A 31 -6.537 3.637 -19.250 1.00 13.35 H new ATOM 522 N GLU A 32 -3.421 7.829 -25.783 1.00 54.53 N ATOM 523 CA GLU A 32 -2.546 8.468 -26.759 1.00 61.00 C ATOM 524 C GLU A 32 -2.096 9.841 -26.269 1.00 44.34 C ATOM 525 O GLU A 32 -2.919 10.709 -25.979 1.00 63.12 O ATOM 526 CB GLU A 32 -3.259 8.603 -28.106 1.00 14.32 C ATOM 527 CG GLU A 32 -4.569 9.370 -28.027 1.00 31.54 C ATOM 528 CD GLU A 32 -5.468 9.113 -29.220 1.00 52.14 C ATOM 529 OE1 GLU A 32 -5.317 9.818 -30.240 1.00 11.11 O ATOM 530 OE2 GLU A 32 -6.323 8.207 -29.135 1.00 30.44 O ATOM 0 H GLU A 32 -4.114 8.451 -25.367 1.00 54.53 H new ATOM 0 HA GLU A 32 -1.665 7.839 -26.885 1.00 61.00 H new ATOM 0 HB2 GLU A 32 -2.596 9.105 -28.810 1.00 14.32 H new ATOM 0 HB3 GLU A 32 -3.454 7.608 -28.506 1.00 14.32 H new ATOM 0 HG2 GLU A 32 -5.095 9.091 -27.114 1.00 31.54 H new ATOM 0 HG3 GLU A 32 -4.357 10.437 -27.959 1.00 31.54 H new ATOM 537 N MET A 33 -0.783 10.030 -26.180 1.00 11.01 N ATOM 538 CA MET A 33 -0.223 11.298 -25.726 1.00 61.41 C ATOM 539 C MET A 33 -0.805 12.464 -26.518 1.00 62.14 C ATOM 540 O MET A 33 -1.084 12.339 -27.711 1.00 44.50 O ATOM 541 CB MET A 33 1.301 11.284 -25.861 1.00 71.24 C ATOM 542 CG MET A 33 1.964 12.572 -25.400 1.00 73.24 C ATOM 543 SD MET A 33 1.948 12.758 -23.607 1.00 73.10 S ATOM 544 CE MET A 33 3.380 13.805 -23.363 1.00 12.44 C ATOM 0 H MET A 33 -0.088 9.322 -26.416 1.00 11.01 H new ATOM 0 HA MET A 33 -0.486 11.428 -24.676 1.00 61.41 H new ATOM 0 HB2 MET A 33 1.701 10.452 -25.282 1.00 71.24 H new ATOM 0 HB3 MET A 33 1.564 11.103 -26.903 1.00 71.24 H new ATOM 0 HG2 MET A 33 2.995 12.593 -25.754 1.00 73.24 H new ATOM 0 HG3 MET A 33 1.454 13.421 -25.854 1.00 73.24 H new ATOM 0 HE1 MET A 33 3.609 13.866 -22.299 1.00 12.44 H new ATOM 0 HE2 MET A 33 4.233 13.384 -23.895 1.00 12.44 H new ATOM 0 HE3 MET A 33 3.170 14.804 -23.746 1.00 12.44 H new ATOM 554 N VAL A 34 -0.986 13.597 -25.848 1.00 12.31 N ATOM 555 CA VAL A 34 -1.534 14.786 -26.490 1.00 13.12 C ATOM 556 C VAL A 34 -0.641 15.999 -26.255 1.00 63.22 C ATOM 557 O VAL A 34 -0.468 16.836 -27.140 1.00 11.44 O ATOM 558 CB VAL A 34 -2.952 15.099 -25.975 1.00 3.13 C ATOM 559 CG1 VAL A 34 -3.958 14.111 -26.545 1.00 43.23 C ATOM 560 CG2 VAL A 34 -2.981 15.084 -24.454 1.00 22.12 C ATOM 0 H VAL A 34 -0.761 13.717 -24.860 1.00 12.31 H new ATOM 0 HA VAL A 34 -1.581 14.575 -27.558 1.00 13.12 H new ATOM 0 HB VAL A 34 -3.230 16.098 -26.312 1.00 3.13 H new ATOM 0 HG11 VAL A 34 -4.954 14.348 -26.170 1.00 43.23 H new ATOM 0 HG12 VAL A 34 -3.955 14.176 -27.633 1.00 43.23 H new ATOM 0 HG13 VAL A 34 -3.687 13.100 -26.241 1.00 43.23 H new ATOM 0 HG21 VAL A 34 -3.990 15.307 -24.107 1.00 22.12 H new ATOM 0 HG22 VAL A 34 -2.683 14.099 -24.094 1.00 22.12 H new ATOM 0 HG23 VAL A 34 -2.291 15.835 -24.070 1.00 22.12 H new ATOM 570 N GLY A 35 -0.074 16.086 -25.056 1.00 5.13 N ATOM 571 CA GLY A 35 0.796 17.200 -24.726 1.00 23.13 C ATOM 572 C GLY A 35 1.492 17.016 -23.392 1.00 5.52 C ATOM 573 O GLY A 35 1.381 15.963 -22.764 1.00 0.03 O ATOM 0 H GLY A 35 -0.201 15.405 -24.307 1.00 5.13 H new ATOM 0 HA2 GLY A 35 1.544 17.317 -25.510 1.00 23.13 H new ATOM 0 HA3 GLY A 35 0.211 18.120 -24.704 1.00 23.13 H new ATOM 577 N THR A 36 2.215 18.044 -22.957 1.00 4.01 N ATOM 578 CA THR A 36 2.935 17.991 -21.691 1.00 31.23 C ATOM 579 C THR A 36 2.913 19.344 -20.988 1.00 72.53 C ATOM 580 O THR A 36 2.799 20.387 -21.633 1.00 10.35 O ATOM 581 CB THR A 36 4.398 17.555 -21.894 1.00 22.50 C ATOM 582 OG1 THR A 36 4.784 17.754 -23.258 1.00 51.25 O ATOM 583 CG2 THR A 36 4.584 16.092 -21.518 1.00 1.31 C ATOM 0 H THR A 36 2.317 18.923 -23.464 1.00 4.01 H new ATOM 0 HA THR A 36 2.427 17.254 -21.070 1.00 31.23 H new ATOM 0 HB THR A 36 5.028 18.164 -21.246 1.00 22.50 H new ATOM 0 HG1 THR A 36 5.716 17.476 -23.378 1.00 51.25 H new ATOM 0 HG21 THR A 36 5.625 15.807 -21.670 1.00 1.31 H new ATOM 0 HG22 THR A 36 4.317 15.949 -20.471 1.00 1.31 H new ATOM 0 HG23 THR A 36 3.943 15.471 -22.144 1.00 1.31 H new ATOM 591 N LEU A 37 3.023 19.319 -19.665 1.00 11.53 N ATOM 592 CA LEU A 37 3.016 20.545 -18.874 1.00 44.40 C ATOM 593 C LEU A 37 4.284 20.658 -18.033 1.00 62.14 C ATOM 594 O LEU A 37 4.768 19.667 -17.486 1.00 14.34 O ATOM 595 CB LEU A 37 1.785 20.584 -17.968 1.00 13.53 C ATOM 596 CG LEU A 37 1.516 21.912 -17.258 1.00 33.23 C ATOM 597 CD1 LEU A 37 2.443 22.076 -16.063 1.00 72.25 C ATOM 598 CD2 LEU A 37 1.677 23.076 -18.224 1.00 71.14 C ATOM 0 H LEU A 37 3.118 18.464 -19.117 1.00 11.53 H new ATOM 0 HA LEU A 37 2.981 21.391 -19.561 1.00 44.40 H new ATOM 0 HB2 LEU A 37 0.910 20.331 -18.567 1.00 13.53 H new ATOM 0 HB3 LEU A 37 1.890 19.806 -17.212 1.00 13.53 H new ATOM 0 HG LEU A 37 0.488 21.906 -16.896 1.00 33.23 H new ATOM 0 HD11 LEU A 37 2.237 23.026 -15.570 1.00 72.25 H new ATOM 0 HD12 LEU A 37 2.278 21.260 -15.360 1.00 72.25 H new ATOM 0 HD13 LEU A 37 3.479 22.060 -16.401 1.00 72.25 H new ATOM 0 HD21 LEU A 37 1.482 24.012 -17.701 1.00 71.14 H new ATOM 0 HD22 LEU A 37 2.694 23.085 -18.617 1.00 71.14 H new ATOM 0 HD23 LEU A 37 0.971 22.966 -19.047 1.00 71.14 H new ATOM 610 N SER A 38 4.817 21.872 -17.934 1.00 74.24 N ATOM 611 CA SER A 38 6.029 22.114 -17.162 1.00 22.14 C ATOM 612 C SER A 38 5.999 23.500 -16.524 1.00 23.53 C ATOM 613 O SER A 38 5.662 24.487 -17.175 1.00 4.30 O ATOM 614 CB SER A 38 7.264 21.978 -18.054 1.00 60.54 C ATOM 615 OG SER A 38 8.322 22.798 -17.590 1.00 62.31 O ATOM 0 H SER A 38 4.428 22.703 -18.379 1.00 74.24 H new ATOM 0 HA SER A 38 6.079 21.368 -16.369 1.00 22.14 H new ATOM 0 HB2 SER A 38 7.589 20.938 -18.075 1.00 60.54 H new ATOM 0 HB3 SER A 38 7.009 22.253 -19.078 1.00 60.54 H new ATOM 0 HG SER A 38 9.100 22.691 -18.177 1.00 62.31 H new ATOM 621 N ASN A 39 6.355 23.563 -15.245 1.00 34.04 N ATOM 622 CA ASN A 39 6.368 24.827 -14.517 1.00 23.21 C ATOM 623 C ASN A 39 7.086 24.677 -13.179 1.00 65.42 C ATOM 624 O ASN A 39 7.719 23.655 -12.914 1.00 35.41 O ATOM 625 CB ASN A 39 4.939 25.323 -14.288 1.00 42.13 C ATOM 626 CG ASN A 39 4.216 24.529 -13.218 1.00 12.45 C ATOM 627 OD1 ASN A 39 3.728 25.090 -12.236 1.00 51.54 O ATOM 628 ND2 ASN A 39 4.144 23.216 -13.402 1.00 12.21 N ATOM 0 H ASN A 39 6.638 22.754 -14.692 1.00 34.04 H new ATOM 0 HA ASN A 39 6.907 25.558 -15.119 1.00 23.21 H new ATOM 0 HB2 ASN A 39 4.964 26.374 -14.002 1.00 42.13 H new ATOM 0 HB3 ASN A 39 4.381 25.260 -15.222 1.00 42.13 H new ATOM 0 HD21 ASN A 39 3.670 22.630 -12.715 1.00 12.21 H new ATOM 0 HD22 ASN A 39 4.563 22.793 -14.231 1.00 12.21 H new ATOM 635 N ALA A 40 6.984 25.702 -12.340 1.00 53.12 N ATOM 636 CA ALA A 40 7.621 25.683 -11.029 1.00 53.43 C ATOM 637 C ALA A 40 7.235 24.431 -10.249 1.00 50.14 C ATOM 638 O ALA A 40 8.033 23.901 -9.477 1.00 35.33 O ATOM 639 CB ALA A 40 7.249 26.932 -10.244 1.00 15.31 C ATOM 0 H ALA A 40 6.466 26.557 -12.545 1.00 53.12 H new ATOM 0 HA ALA A 40 8.701 25.668 -11.177 1.00 53.43 H new ATOM 0 HB1 ALA A 40 7.731 26.905 -9.267 1.00 15.31 H new ATOM 0 HB2 ALA A 40 7.581 27.816 -10.788 1.00 15.31 H new ATOM 0 HB3 ALA A 40 6.168 26.971 -10.114 1.00 15.31 H new ATOM 645 N GLN A 41 6.008 23.965 -10.457 1.00 33.12 N ATOM 646 CA GLN A 41 5.517 22.775 -9.771 1.00 51.41 C ATOM 647 C GLN A 41 6.337 21.548 -10.155 1.00 41.32 C ATOM 648 O GLN A 41 6.507 20.628 -9.357 1.00 2.03 O ATOM 649 CB GLN A 41 4.042 22.542 -10.103 1.00 20.13 C ATOM 650 CG GLN A 41 3.117 22.700 -8.907 1.00 1.43 C ATOM 651 CD GLN A 41 1.900 21.800 -8.986 1.00 64.44 C ATOM 652 OE1 GLN A 41 1.765 21.001 -9.914 1.00 32.23 O ATOM 653 NE2 GLN A 41 1.007 21.923 -8.012 1.00 10.31 N ATOM 0 H GLN A 41 5.336 24.392 -11.094 1.00 33.12 H new ATOM 0 HA GLN A 41 5.620 22.936 -8.698 1.00 51.41 H new ATOM 0 HB2 GLN A 41 3.738 23.242 -10.882 1.00 20.13 H new ATOM 0 HB3 GLN A 41 3.924 21.539 -10.513 1.00 20.13 H new ATOM 0 HG2 GLN A 41 3.669 22.478 -7.994 1.00 1.43 H new ATOM 0 HG3 GLN A 41 2.792 23.738 -8.839 1.00 1.43 H new ATOM 0 HE21 GLN A 41 1.159 22.598 -7.263 1.00 10.31 H new ATOM 0 HE22 GLN A 41 0.168 21.342 -8.013 1.00 10.31 H new ATOM 662 N GLY A 42 6.844 21.542 -11.385 1.00 34.03 N ATOM 663 CA GLY A 42 7.640 20.423 -11.853 1.00 75.43 C ATOM 664 C GLY A 42 7.301 20.026 -13.276 1.00 75.24 C ATOM 665 O GLY A 42 6.926 20.869 -14.092 1.00 63.24 O ATOM 0 H GLY A 42 6.717 22.292 -12.065 1.00 34.03 H new ATOM 0 HA2 GLY A 42 8.697 20.683 -11.793 1.00 75.43 H new ATOM 0 HA3 GLY A 42 7.484 19.569 -11.194 1.00 75.43 H new ATOM 669 N THR A 43 7.433 18.738 -13.578 1.00 32.44 N ATOM 670 CA THR A 43 7.141 18.231 -14.912 1.00 73.24 C ATOM 671 C THR A 43 5.940 17.292 -14.894 1.00 12.24 C ATOM 672 O THR A 43 5.846 16.405 -14.045 1.00 14.22 O ATOM 673 CB THR A 43 8.351 17.486 -15.508 1.00 14.22 C ATOM 674 OG1 THR A 43 9.566 18.008 -14.959 1.00 33.15 O ATOM 675 CG2 THR A 43 8.375 17.618 -17.023 1.00 42.41 C ATOM 0 H THR A 43 7.741 18.027 -12.915 1.00 32.44 H new ATOM 0 HA THR A 43 6.913 19.096 -15.535 1.00 73.24 H new ATOM 0 HB THR A 43 8.262 16.430 -15.253 1.00 14.22 H new ATOM 0 HG1 THR A 43 10.330 17.528 -15.341 1.00 33.15 H new ATOM 0 HG21 THR A 43 9.238 17.084 -17.421 1.00 42.41 H new ATOM 0 HG22 THR A 43 7.462 17.193 -17.440 1.00 42.41 H new ATOM 0 HG23 THR A 43 8.443 18.671 -17.295 1.00 42.41 H new ATOM 683 N PHE A 44 5.023 17.492 -15.835 1.00 4.31 N ATOM 684 CA PHE A 44 3.827 16.663 -15.926 1.00 42.20 C ATOM 685 C PHE A 44 3.526 16.301 -17.377 1.00 60.33 C ATOM 686 O PHE A 44 3.908 17.020 -18.300 1.00 21.20 O ATOM 687 CB PHE A 44 2.629 17.390 -15.311 1.00 23.42 C ATOM 688 CG PHE A 44 2.915 17.979 -13.959 1.00 43.23 C ATOM 689 CD1 PHE A 44 3.516 19.222 -13.844 1.00 50.52 C ATOM 690 CD2 PHE A 44 2.583 17.290 -12.804 1.00 11.41 C ATOM 691 CE1 PHE A 44 3.781 19.767 -12.602 1.00 32.33 C ATOM 692 CE2 PHE A 44 2.845 17.830 -11.559 1.00 30.24 C ATOM 693 CZ PHE A 44 3.444 19.070 -11.458 1.00 12.25 C ATOM 0 H PHE A 44 5.085 18.221 -16.545 1.00 4.31 H new ATOM 0 HA PHE A 44 4.009 15.743 -15.370 1.00 42.20 H new ATOM 0 HB2 PHE A 44 2.312 18.185 -15.985 1.00 23.42 H new ATOM 0 HB3 PHE A 44 1.796 16.693 -15.226 1.00 23.42 H new ATOM 0 HD1 PHE A 44 3.780 19.771 -14.735 1.00 50.52 H new ATOM 0 HD2 PHE A 44 2.114 16.320 -12.877 1.00 11.41 H new ATOM 0 HE1 PHE A 44 4.251 20.736 -12.526 1.00 32.33 H new ATOM 0 HE2 PHE A 44 2.581 17.283 -10.666 1.00 30.24 H new ATOM 0 HZ PHE A 44 3.649 19.494 -10.486 1.00 12.25 H new ATOM 703 N ALA A 45 2.839 15.180 -17.570 1.00 74.25 N ATOM 704 CA ALA A 45 2.485 14.722 -18.908 1.00 75.22 C ATOM 705 C ALA A 45 0.975 14.759 -19.120 1.00 12.25 C ATOM 706 O ALA A 45 0.201 14.605 -18.173 1.00 41.45 O ATOM 707 CB ALA A 45 3.018 13.316 -19.143 1.00 54.21 C ATOM 0 H ALA A 45 2.517 14.572 -16.817 1.00 74.25 H new ATOM 0 HA ALA A 45 2.944 15.398 -19.629 1.00 75.22 H new ATOM 0 HB1 ALA A 45 2.746 12.987 -20.146 1.00 54.21 H new ATOM 0 HB2 ALA A 45 4.103 13.317 -19.043 1.00 54.21 H new ATOM 0 HB3 ALA A 45 2.587 12.636 -18.409 1.00 54.21 H new ATOM 713 N LEU A 46 0.562 14.965 -20.365 1.00 75.11 N ATOM 714 CA LEU A 46 -0.857 15.023 -20.701 1.00 0.32 C ATOM 715 C LEU A 46 -1.206 13.994 -21.770 1.00 72.55 C ATOM 716 O LEU A 46 -0.748 14.086 -22.909 1.00 64.33 O ATOM 717 CB LEU A 46 -1.229 16.425 -21.186 1.00 12.53 C ATOM 718 CG LEU A 46 -0.541 17.588 -20.470 1.00 5.01 C ATOM 719 CD1 LEU A 46 -1.120 18.917 -20.930 1.00 62.33 C ATOM 720 CD2 LEU A 46 -0.674 17.440 -18.961 1.00 72.13 C ATOM 0 H LEU A 46 1.189 15.095 -21.159 1.00 75.11 H new ATOM 0 HA LEU A 46 -1.428 14.793 -19.801 1.00 0.32 H new ATOM 0 HB2 LEU A 46 -0.999 16.493 -22.249 1.00 12.53 H new ATOM 0 HB3 LEU A 46 -2.307 16.549 -21.084 1.00 12.53 H new ATOM 0 HG LEU A 46 0.519 17.569 -20.725 1.00 5.01 H new ATOM 0 HD11 LEU A 46 -0.618 19.732 -20.409 1.00 62.33 H new ATOM 0 HD12 LEU A 46 -0.971 19.026 -22.004 1.00 62.33 H new ATOM 0 HD13 LEU A 46 -2.186 18.946 -20.706 1.00 62.33 H new ATOM 0 HD21 LEU A 46 -0.178 18.277 -18.468 1.00 72.13 H new ATOM 0 HD22 LEU A 46 -1.729 17.431 -18.688 1.00 72.13 H new ATOM 0 HD23 LEU A 46 -0.210 16.506 -18.645 1.00 72.13 H new ATOM 732 N VAL A 47 -2.023 13.013 -21.397 1.00 1.40 N ATOM 733 CA VAL A 47 -2.437 11.968 -22.325 1.00 21.21 C ATOM 734 C VAL A 47 -3.951 11.962 -22.507 1.00 4.05 C ATOM 735 O VAL A 47 -4.691 12.461 -21.659 1.00 1.12 O ATOM 736 CB VAL A 47 -1.983 10.577 -21.842 1.00 54.32 C ATOM 737 CG1 VAL A 47 -2.821 10.125 -20.656 1.00 25.53 C ATOM 738 CG2 VAL A 47 -2.063 9.568 -22.977 1.00 63.34 C ATOM 0 H VAL A 47 -2.411 12.921 -20.458 1.00 1.40 H new ATOM 0 HA VAL A 47 -1.961 12.186 -23.281 1.00 21.21 H new ATOM 0 HB VAL A 47 -0.944 10.644 -21.518 1.00 54.32 H new ATOM 0 HG11 VAL A 47 -2.486 9.141 -20.328 1.00 25.53 H new ATOM 0 HG12 VAL A 47 -2.709 10.837 -19.839 1.00 25.53 H new ATOM 0 HG13 VAL A 47 -3.869 10.073 -20.950 1.00 25.53 H new ATOM 0 HG21 VAL A 47 -1.739 8.591 -22.619 1.00 63.34 H new ATOM 0 HG22 VAL A 47 -3.091 9.501 -23.333 1.00 63.34 H new ATOM 0 HG23 VAL A 47 -1.416 9.888 -23.794 1.00 63.34 H new ATOM 748 N LYS A 48 -4.405 11.393 -23.618 1.00 13.31 N ATOM 749 CA LYS A 48 -5.832 11.320 -23.912 1.00 25.30 C ATOM 750 C LYS A 48 -6.291 9.869 -24.018 1.00 11.12 C ATOM 751 O LYS A 48 -5.580 9.020 -24.553 1.00 50.14 O ATOM 752 CB LYS A 48 -6.144 12.061 -25.214 1.00 3.11 C ATOM 753 CG LYS A 48 -7.611 12.014 -25.604 1.00 21.11 C ATOM 754 CD LYS A 48 -7.810 12.367 -27.068 1.00 73.23 C ATOM 755 CE LYS A 48 -9.169 11.906 -27.573 1.00 12.13 C ATOM 756 NZ LYS A 48 -9.268 11.990 -29.056 1.00 63.53 N ATOM 0 H LYS A 48 -3.806 10.975 -24.330 1.00 13.31 H new ATOM 0 HA LYS A 48 -6.372 11.795 -23.093 1.00 25.30 H new ATOM 0 HB2 LYS A 48 -5.837 13.102 -25.112 1.00 3.11 H new ATOM 0 HB3 LYS A 48 -5.549 11.630 -26.019 1.00 3.11 H new ATOM 0 HG2 LYS A 48 -8.008 11.017 -25.412 1.00 21.11 H new ATOM 0 HG3 LYS A 48 -8.176 12.707 -24.981 1.00 21.11 H new ATOM 0 HD2 LYS A 48 -7.719 13.445 -27.199 1.00 73.23 H new ATOM 0 HD3 LYS A 48 -7.023 11.906 -27.665 1.00 73.23 H new ATOM 0 HE2 LYS A 48 -9.345 10.878 -27.255 1.00 12.13 H new ATOM 0 HE3 LYS A 48 -9.950 12.517 -27.122 1.00 12.13 H new ATOM 0 HZ1 LYS A 48 -10.209 11.667 -29.360 1.00 63.53 H new ATOM 0 HZ2 LYS A 48 -9.126 12.975 -29.358 1.00 63.53 H new ATOM 0 HZ3 LYS A 48 -8.539 11.387 -29.487 1.00 63.53 H new ATOM 770 N GLY A 49 -7.486 9.593 -23.505 1.00 32.55 N ATOM 771 CA GLY A 49 -8.020 8.244 -23.553 1.00 52.01 C ATOM 772 C GLY A 49 -9.360 8.126 -22.854 1.00 71.42 C ATOM 773 O GLY A 49 -10.202 9.017 -22.957 1.00 11.12 O ATOM 0 H GLY A 49 -8.094 10.279 -23.057 1.00 32.55 H new ATOM 0 HA2 GLY A 49 -8.128 7.936 -24.593 1.00 52.01 H new ATOM 0 HA3 GLY A 49 -7.310 7.559 -23.089 1.00 52.01 H new ATOM 777 N ALA A 50 -9.559 7.021 -22.143 1.00 20.23 N ATOM 778 CA ALA A 50 -10.806 6.789 -21.424 1.00 42.20 C ATOM 779 C ALA A 50 -11.161 7.982 -20.542 1.00 70.45 C ATOM 780 O ALA A 50 -10.428 8.320 -19.614 1.00 34.53 O ATOM 781 CB ALA A 50 -10.705 5.523 -20.587 1.00 22.23 C ATOM 0 H ALA A 50 -8.873 6.272 -22.049 1.00 20.23 H new ATOM 0 HA ALA A 50 -11.602 6.663 -22.158 1.00 42.20 H new ATOM 0 HB1 ALA A 50 -11.643 5.362 -20.056 1.00 22.23 H new ATOM 0 HB2 ALA A 50 -10.506 4.672 -21.238 1.00 22.23 H new ATOM 0 HB3 ALA A 50 -9.893 5.627 -19.867 1.00 22.23 H new ATOM 787 N GLY A 51 -12.291 8.617 -20.840 1.00 63.45 N ATOM 788 CA GLY A 51 -12.722 9.765 -20.066 1.00 15.31 C ATOM 789 C GLY A 51 -12.408 11.079 -20.753 1.00 2.31 C ATOM 790 O GLY A 51 -13.163 12.044 -20.638 1.00 44.14 O ATOM 0 H GLY A 51 -12.915 8.356 -21.604 1.00 63.45 H new ATOM 0 HA2 GLY A 51 -13.796 9.698 -19.890 1.00 15.31 H new ATOM 0 HA3 GLY A 51 -12.237 9.744 -19.090 1.00 15.31 H new ATOM 794 N GLY A 52 -11.288 11.118 -21.469 1.00 2.14 N ATOM 795 CA GLY A 52 -10.894 12.329 -22.164 1.00 42.15 C ATOM 796 C GLY A 52 -9.410 12.612 -22.042 1.00 24.54 C ATOM 797 O GLY A 52 -8.607 12.110 -22.829 1.00 54.14 O ATOM 0 H GLY A 52 -10.647 10.332 -21.580 1.00 2.14 H new ATOM 0 HA2 GLY A 52 -11.158 12.242 -23.218 1.00 42.15 H new ATOM 0 HA3 GLY A 52 -11.456 13.173 -21.763 1.00 42.15 H new ATOM 801 N VAL A 53 -9.042 13.419 -21.051 1.00 73.43 N ATOM 802 CA VAL A 53 -7.644 13.768 -20.828 1.00 74.12 C ATOM 803 C VAL A 53 -7.210 13.417 -19.410 1.00 21.43 C ATOM 804 O VAL A 53 -7.946 13.645 -18.449 1.00 24.31 O ATOM 805 CB VAL A 53 -7.395 15.268 -21.073 1.00 63.23 C ATOM 806 CG1 VAL A 53 -7.314 15.559 -22.564 1.00 51.30 C ATOM 807 CG2 VAL A 53 -8.483 16.103 -20.416 1.00 52.14 C ATOM 0 H VAL A 53 -9.693 13.843 -20.390 1.00 73.43 H new ATOM 0 HA VAL A 53 -7.055 13.188 -21.539 1.00 74.12 H new ATOM 0 HB VAL A 53 -6.440 15.539 -20.622 1.00 63.23 H new ATOM 0 HG11 VAL A 53 -7.138 16.624 -22.718 1.00 51.30 H new ATOM 0 HG12 VAL A 53 -6.495 14.989 -23.002 1.00 51.30 H new ATOM 0 HG13 VAL A 53 -8.251 15.274 -23.042 1.00 51.30 H new ATOM 0 HG21 VAL A 53 -8.291 17.160 -20.599 1.00 52.14 H new ATOM 0 HG22 VAL A 53 -9.452 15.832 -20.835 1.00 52.14 H new ATOM 0 HG23 VAL A 53 -8.487 15.916 -19.342 1.00 52.14 H new ATOM 817 N HIS A 54 -6.009 12.860 -19.285 1.00 40.32 N ATOM 818 CA HIS A 54 -5.475 12.478 -17.983 1.00 1.12 C ATOM 819 C HIS A 54 -4.063 13.025 -17.793 1.00 14.24 C ATOM 820 O HIS A 54 -3.189 12.819 -18.634 1.00 62.01 O ATOM 821 CB HIS A 54 -5.468 10.956 -17.838 1.00 13.15 C ATOM 822 CG HIS A 54 -6.341 10.256 -18.833 1.00 31.42 C ATOM 823 ND1 HIS A 54 -5.870 9.294 -19.702 1.00 50.40 N ATOM 824 CD2 HIS A 54 -7.664 10.380 -19.093 1.00 4.11 C ATOM 825 CE1 HIS A 54 -6.865 8.859 -20.455 1.00 5.21 C ATOM 826 NE2 HIS A 54 -7.964 9.502 -20.105 1.00 31.11 N ATOM 0 H HIS A 54 -5.388 12.663 -20.070 1.00 40.32 H new ATOM 0 HA HIS A 54 -6.118 12.906 -17.214 1.00 1.12 H new ATOM 0 HB2 HIS A 54 -4.446 10.594 -17.946 1.00 13.15 H new ATOM 0 HB3 HIS A 54 -5.795 10.694 -16.832 1.00 13.15 H new ATOM 0 HD2 HIS A 54 -8.355 11.046 -18.597 1.00 4.11 H new ATOM 0 HE1 HIS A 54 -6.792 8.106 -21.226 1.00 5.21 H new ATOM 0 HE2 HIS A 54 -8.886 9.368 -20.519 1.00 31.11 H new ATOM 834 N ARG A 55 -3.849 13.724 -16.682 1.00 74.25 N ATOM 835 CA ARG A 55 -2.545 14.302 -16.383 1.00 40.23 C ATOM 836 C ARG A 55 -1.786 13.442 -15.377 1.00 75.52 C ATOM 837 O ARG A 55 -2.299 13.126 -14.303 1.00 2.50 O ATOM 838 CB ARG A 55 -2.706 15.722 -15.837 1.00 31.01 C ATOM 839 CG ARG A 55 -3.414 15.781 -14.493 1.00 74.24 C ATOM 840 CD ARG A 55 -3.782 17.208 -14.120 1.00 13.23 C ATOM 841 NE ARG A 55 -5.224 17.379 -13.963 1.00 33.52 N ATOM 842 CZ ARG A 55 -5.786 18.485 -13.490 1.00 14.14 C ATOM 843 NH1 ARG A 55 -5.032 19.514 -13.129 1.00 41.02 N ATOM 844 NH2 ARG A 55 -7.106 18.564 -13.377 1.00 11.34 N ATOM 0 H ARG A 55 -4.562 13.903 -15.975 1.00 74.25 H new ATOM 0 HA ARG A 55 -1.971 14.339 -17.309 1.00 40.23 H new ATOM 0 HB2 ARG A 55 -1.721 16.179 -15.740 1.00 31.01 H new ATOM 0 HB3 ARG A 55 -3.264 16.319 -16.559 1.00 31.01 H new ATOM 0 HG2 ARG A 55 -4.315 15.169 -14.528 1.00 74.24 H new ATOM 0 HG3 ARG A 55 -2.770 15.357 -13.722 1.00 74.24 H new ATOM 0 HD2 ARG A 55 -3.282 17.480 -13.191 1.00 13.23 H new ATOM 0 HD3 ARG A 55 -3.418 17.889 -14.889 1.00 13.23 H new ATOM 0 HE ARG A 55 -5.833 16.606 -14.232 1.00 33.52 H new ATOM 0 HH11 ARG A 55 -4.017 19.457 -13.214 1.00 41.02 H new ATOM 0 HH12 ARG A 55 -5.467 20.362 -12.766 1.00 41.02 H new ATOM 0 HH21 ARG A 55 -7.690 17.775 -13.654 1.00 11.34 H new ATOM 0 HH22 ARG A 55 -7.537 19.414 -13.013 1.00 11.34 H new ATOM 858 N VAL A 56 -0.563 13.064 -15.733 1.00 63.21 N ATOM 859 CA VAL A 56 0.267 12.240 -14.862 1.00 11.23 C ATOM 860 C VAL A 56 1.734 12.646 -14.955 1.00 75.22 C ATOM 861 O VAL A 56 2.221 13.006 -16.027 1.00 4.15 O ATOM 862 CB VAL A 56 0.136 10.746 -15.210 1.00 73.34 C ATOM 863 CG1 VAL A 56 -1.229 10.218 -14.794 1.00 25.34 C ATOM 864 CG2 VAL A 56 0.371 10.523 -16.697 1.00 4.04 C ATOM 0 H VAL A 56 -0.124 13.315 -16.619 1.00 63.21 H new ATOM 0 HA VAL A 56 -0.087 12.400 -13.844 1.00 11.23 H new ATOM 0 HB VAL A 56 0.897 10.194 -14.658 1.00 73.34 H new ATOM 0 HG11 VAL A 56 -1.303 9.161 -15.048 1.00 25.34 H new ATOM 0 HG12 VAL A 56 -1.355 10.343 -13.718 1.00 25.34 H new ATOM 0 HG13 VAL A 56 -2.008 10.772 -15.317 1.00 25.34 H new ATOM 0 HG21 VAL A 56 0.275 9.462 -16.925 1.00 4.04 H new ATOM 0 HG22 VAL A 56 -0.366 11.086 -17.270 1.00 4.04 H new ATOM 0 HG23 VAL A 56 1.373 10.862 -16.962 1.00 4.04 H new ATOM 874 N ARG A 57 2.432 12.584 -13.826 1.00 51.11 N ATOM 875 CA ARG A 57 3.844 12.946 -13.780 1.00 75.32 C ATOM 876 C ARG A 57 4.687 11.780 -13.272 1.00 41.12 C ATOM 877 O ARG A 57 4.161 10.717 -12.942 1.00 63.12 O ATOM 878 CB ARG A 57 4.050 14.168 -12.883 1.00 70.42 C ATOM 879 CG ARG A 57 3.276 14.102 -11.577 1.00 31.22 C ATOM 880 CD ARG A 57 3.988 14.862 -10.469 1.00 33.14 C ATOM 881 NE ARG A 57 3.113 15.111 -9.326 1.00 54.23 N ATOM 882 CZ ARG A 57 2.710 14.163 -8.488 1.00 61.51 C ATOM 883 NH1 ARG A 57 3.103 12.908 -8.663 1.00 54.32 N ATOM 884 NH2 ARG A 57 1.914 14.468 -7.472 1.00 33.14 N ATOM 0 H ARG A 57 2.043 12.287 -12.931 1.00 51.11 H new ATOM 0 HA ARG A 57 4.165 13.190 -14.793 1.00 75.32 H new ATOM 0 HB2 ARG A 57 5.112 14.270 -12.661 1.00 70.42 H new ATOM 0 HB3 ARG A 57 3.750 15.063 -13.428 1.00 70.42 H new ATOM 0 HG2 ARG A 57 2.279 14.518 -11.722 1.00 31.22 H new ATOM 0 HG3 ARG A 57 3.147 13.061 -11.281 1.00 31.22 H new ATOM 0 HD2 ARG A 57 4.859 14.294 -10.142 1.00 33.14 H new ATOM 0 HD3 ARG A 57 4.355 15.812 -10.859 1.00 33.14 H new ATOM 0 HE ARG A 57 2.794 16.066 -9.163 1.00 54.23 H new ATOM 0 HH11 ARG A 57 3.716 12.670 -9.443 1.00 54.32 H new ATOM 0 HH12 ARG A 57 2.792 12.182 -8.018 1.00 54.32 H new ATOM 0 HH21 ARG A 57 1.610 15.432 -7.333 1.00 33.14 H new ATOM 0 HH22 ARG A 57 1.605 13.739 -6.829 1.00 33.14 H new ATOM 898 N VAL A 58 5.999 11.987 -13.213 1.00 12.33 N ATOM 899 CA VAL A 58 6.915 10.955 -12.745 1.00 24.53 C ATOM 900 C VAL A 58 6.440 10.354 -11.427 1.00 33.32 C ATOM 901 O VAL A 58 6.342 11.047 -10.415 1.00 43.35 O ATOM 902 CB VAL A 58 8.340 11.511 -12.558 1.00 74.32 C ATOM 903 CG1 VAL A 58 9.286 10.412 -12.099 1.00 1.34 C ATOM 904 CG2 VAL A 58 8.835 12.148 -13.847 1.00 42.15 C ATOM 0 H VAL A 58 6.451 12.861 -13.484 1.00 12.33 H new ATOM 0 HA VAL A 58 6.933 10.179 -13.510 1.00 24.53 H new ATOM 0 HB VAL A 58 8.314 12.280 -11.786 1.00 74.32 H new ATOM 0 HG11 VAL A 58 10.287 10.823 -11.972 1.00 1.34 H new ATOM 0 HG12 VAL A 58 8.938 10.005 -11.149 1.00 1.34 H new ATOM 0 HG13 VAL A 58 9.312 9.619 -12.846 1.00 1.34 H new ATOM 0 HG21 VAL A 58 9.843 12.536 -13.698 1.00 42.15 H new ATOM 0 HG22 VAL A 58 8.847 11.401 -14.641 1.00 42.15 H new ATOM 0 HG23 VAL A 58 8.170 12.965 -14.128 1.00 42.15 H new ATOM 914 N GLY A 59 6.144 9.057 -11.446 1.00 5.30 N ATOM 915 CA GLY A 59 5.683 8.384 -10.246 1.00 75.13 C ATOM 916 C GLY A 59 4.235 7.947 -10.348 1.00 33.22 C ATOM 917 O GLY A 59 3.800 7.044 -9.633 1.00 22.24 O ATOM 0 H GLY A 59 6.215 8.461 -12.271 1.00 5.30 H new ATOM 0 HA2 GLY A 59 6.310 7.513 -10.058 1.00 75.13 H new ATOM 0 HA3 GLY A 59 5.799 9.051 -9.392 1.00 75.13 H new ATOM 921 N ASP A 60 3.485 8.589 -11.237 1.00 45.20 N ATOM 922 CA ASP A 60 2.077 8.262 -11.429 1.00 44.12 C ATOM 923 C ASP A 60 1.923 6.921 -12.139 1.00 21.40 C ATOM 924 O ASP A 60 2.892 6.368 -12.660 1.00 73.25 O ATOM 925 CB ASP A 60 1.382 9.362 -12.233 1.00 75.42 C ATOM 926 CG ASP A 60 1.014 10.559 -11.379 1.00 31.10 C ATOM 927 OD1 ASP A 60 1.819 10.930 -10.499 1.00 11.00 O ATOM 928 OD2 ASP A 60 -0.078 11.125 -11.591 1.00 14.40 O ATOM 0 H ASP A 60 3.829 9.339 -11.836 1.00 45.20 H new ATOM 0 HA ASP A 60 1.609 8.189 -10.448 1.00 44.12 H new ATOM 0 HB2 ASP A 60 2.036 9.685 -13.043 1.00 75.42 H new ATOM 0 HB3 ASP A 60 0.481 8.957 -12.693 1.00 75.42 H new ATOM 933 N TYR A 61 0.700 6.402 -12.154 1.00 1.42 N ATOM 934 CA TYR A 61 0.420 5.124 -12.796 1.00 74.12 C ATOM 935 C TYR A 61 -0.810 5.224 -13.694 1.00 62.42 C ATOM 936 O TYR A 61 -1.776 5.915 -13.370 1.00 1.51 O ATOM 937 CB TYR A 61 0.208 4.035 -11.743 1.00 4.34 C ATOM 938 CG TYR A 61 1.299 3.985 -10.697 1.00 23.11 C ATOM 939 CD1 TYR A 61 1.275 4.834 -9.597 1.00 71.24 C ATOM 940 CD2 TYR A 61 2.354 3.087 -10.808 1.00 43.43 C ATOM 941 CE1 TYR A 61 2.270 4.792 -8.640 1.00 60.42 C ATOM 942 CE2 TYR A 61 3.353 3.037 -9.855 1.00 50.11 C ATOM 943 CZ TYR A 61 3.307 3.892 -8.773 1.00 73.53 C ATOM 944 OH TYR A 61 4.299 3.845 -7.821 1.00 41.41 O ATOM 0 H TYR A 61 -0.113 6.847 -11.729 1.00 1.42 H new ATOM 0 HA TYR A 61 1.279 4.861 -13.413 1.00 74.12 H new ATOM 0 HB2 TYR A 61 -0.750 4.200 -11.250 1.00 4.34 H new ATOM 0 HB3 TYR A 61 0.148 3.067 -12.240 1.00 4.34 H new ATOM 0 HD1 TYR A 61 0.464 5.539 -9.489 1.00 71.24 H new ATOM 0 HD2 TYR A 61 2.394 2.417 -11.654 1.00 43.43 H new ATOM 0 HE1 TYR A 61 2.236 5.460 -7.792 1.00 60.42 H new ATOM 0 HE2 TYR A 61 4.165 2.333 -9.956 1.00 50.11 H new ATOM 0 HH TYR A 61 4.953 3.156 -8.063 1.00 41.41 H new ATOM 954 N LEU A 62 -0.766 4.527 -14.825 1.00 15.15 N ATOM 955 CA LEU A 62 -1.876 4.535 -15.771 1.00 54.11 C ATOM 956 C LEU A 62 -1.917 3.238 -16.573 1.00 53.43 C ATOM 957 O LEU A 62 -0.890 2.595 -16.786 1.00 13.23 O ATOM 958 CB LEU A 62 -1.756 5.730 -16.718 1.00 54.41 C ATOM 959 CG LEU A 62 -0.335 6.146 -17.097 1.00 44.31 C ATOM 960 CD1 LEU A 62 0.314 5.090 -17.978 1.00 75.05 C ATOM 961 CD2 LEU A 62 -0.343 7.497 -17.798 1.00 61.23 C ATOM 0 H LEU A 62 0.026 3.950 -15.108 1.00 15.15 H new ATOM 0 HA LEU A 62 -2.803 4.620 -15.205 1.00 54.11 H new ATOM 0 HB2 LEU A 62 -2.302 5.499 -17.633 1.00 54.41 H new ATOM 0 HB3 LEU A 62 -2.253 6.584 -16.258 1.00 54.41 H new ATOM 0 HG LEU A 62 0.252 6.237 -16.183 1.00 44.31 H new ATOM 0 HD11 LEU A 62 1.325 5.404 -18.238 1.00 75.05 H new ATOM 0 HD12 LEU A 62 0.355 4.143 -17.440 1.00 75.05 H new ATOM 0 HD13 LEU A 62 -0.272 4.965 -18.889 1.00 75.05 H new ATOM 0 HD21 LEU A 62 0.677 7.777 -18.060 1.00 61.23 H new ATOM 0 HD22 LEU A 62 -0.946 7.433 -18.704 1.00 61.23 H new ATOM 0 HD23 LEU A 62 -0.766 8.250 -17.133 1.00 61.23 H new ATOM 973 N GLY A 63 -3.112 2.861 -17.019 1.00 11.14 N ATOM 974 CA GLY A 63 -3.264 1.644 -17.794 1.00 52.24 C ATOM 975 C GLY A 63 -3.390 0.412 -16.921 1.00 23.30 C ATOM 976 O GLY A 63 -3.040 0.441 -15.741 1.00 31.21 O ATOM 0 H GLY A 63 -3.977 3.377 -16.857 1.00 11.14 H new ATOM 0 HA2 GLY A 63 -4.147 1.728 -18.427 1.00 52.24 H new ATOM 0 HA3 GLY A 63 -2.406 1.530 -18.457 1.00 52.24 H new ATOM 980 N ARG A 64 -3.892 -0.674 -17.501 1.00 4.14 N ATOM 981 CA ARG A 64 -4.065 -1.921 -16.766 1.00 72.21 C ATOM 982 C ARG A 64 -2.721 -2.601 -16.524 1.00 62.31 C ATOM 983 O ARG A 64 -2.619 -3.528 -15.722 1.00 24.13 O ATOM 984 CB ARG A 64 -4.995 -2.864 -17.532 1.00 51.22 C ATOM 985 CG ARG A 64 -6.430 -2.843 -17.032 1.00 31.54 C ATOM 986 CD ARG A 64 -7.323 -3.753 -17.862 1.00 4.14 C ATOM 987 NE ARG A 64 -6.741 -5.081 -18.035 1.00 23.23 N ATOM 988 CZ ARG A 64 -7.202 -5.979 -18.898 1.00 51.23 C ATOM 989 NH1 ARG A 64 -8.246 -5.692 -19.664 1.00 0.33 N ATOM 990 NH2 ARG A 64 -6.619 -7.166 -18.998 1.00 63.40 N ATOM 0 H ARG A 64 -4.186 -0.715 -18.477 1.00 4.14 H new ATOM 0 HA ARG A 64 -4.512 -1.685 -15.800 1.00 72.21 H new ATOM 0 HB2 ARG A 64 -4.983 -2.594 -18.588 1.00 51.22 H new ATOM 0 HB3 ARG A 64 -4.608 -3.881 -17.459 1.00 51.22 H new ATOM 0 HG2 ARG A 64 -6.458 -3.158 -15.989 1.00 31.54 H new ATOM 0 HG3 ARG A 64 -6.814 -1.824 -17.068 1.00 31.54 H new ATOM 0 HD2 ARG A 64 -8.296 -3.844 -17.380 1.00 4.14 H new ATOM 0 HD3 ARG A 64 -7.492 -3.301 -18.839 1.00 4.14 H new ATOM 0 HE ARG A 64 -5.936 -5.333 -17.461 1.00 23.23 H new ATOM 0 HH11 ARG A 64 -8.697 -4.780 -19.591 1.00 0.33 H new ATOM 0 HH12 ARG A 64 -8.598 -6.383 -20.326 1.00 0.33 H new ATOM 0 HH21 ARG A 64 -5.815 -7.390 -18.412 1.00 63.40 H new ATOM 0 HH22 ARG A 64 -6.974 -7.854 -19.661 1.00 63.40 H new ATOM 1004 N ASN A 65 -1.692 -2.134 -17.225 1.00 15.15 N ATOM 1005 CA ASN A 65 -0.355 -2.698 -17.087 1.00 5.43 C ATOM 1006 C ASN A 65 0.456 -1.927 -16.049 1.00 21.21 C ATOM 1007 O ASN A 65 1.686 -1.990 -16.035 1.00 34.31 O ATOM 1008 CB ASN A 65 0.371 -2.678 -18.434 1.00 32.53 C ATOM 1009 CG ASN A 65 -0.415 -3.381 -19.524 1.00 33.13 C ATOM 1010 OD1 ASN A 65 -0.710 -2.797 -20.567 1.00 21.13 O ATOM 1011 ND2 ASN A 65 -0.759 -4.642 -19.286 1.00 52.51 N ATOM 0 H ASN A 65 -1.759 -1.367 -17.894 1.00 15.15 H new ATOM 0 HA ASN A 65 -0.456 -3.730 -16.751 1.00 5.43 H new ATOM 0 HB2 ASN A 65 0.554 -1.645 -18.730 1.00 32.53 H new ATOM 0 HB3 ASN A 65 1.345 -3.156 -18.326 1.00 32.53 H new ATOM 0 HD21 ASN A 65 -1.289 -5.166 -19.982 1.00 52.51 H new ATOM 0 HD22 ASN A 65 -0.493 -5.086 -18.407 1.00 52.51 H new ATOM 1018 N ASP A 66 -0.241 -1.201 -15.182 1.00 21.31 N ATOM 1019 CA ASP A 66 0.413 -0.420 -14.139 1.00 3.41 C ATOM 1020 C ASP A 66 1.514 0.458 -14.727 1.00 61.40 C ATOM 1021 O ASP A 66 2.621 0.522 -14.195 1.00 3.22 O ATOM 1022 CB ASP A 66 0.997 -1.344 -13.070 1.00 25.14 C ATOM 1023 CG ASP A 66 -0.046 -1.806 -12.071 1.00 64.22 C ATOM 1024 OD1 ASP A 66 -1.244 -1.535 -12.296 1.00 1.20 O ATOM 1025 OD2 ASP A 66 0.336 -2.440 -11.065 1.00 42.14 O ATOM 0 H ASP A 66 -1.259 -1.137 -15.181 1.00 21.31 H new ATOM 0 HA ASP A 66 -0.336 0.226 -13.680 1.00 3.41 H new ATOM 0 HB2 ASP A 66 1.445 -2.213 -13.551 1.00 25.14 H new ATOM 0 HB3 ASP A 66 1.796 -0.824 -12.542 1.00 25.14 H new ATOM 1030 N GLY A 67 1.201 1.131 -15.830 1.00 44.30 N ATOM 1031 CA GLY A 67 2.175 1.995 -16.473 1.00 33.40 C ATOM 1032 C GLY A 67 2.678 3.088 -15.552 1.00 12.13 C ATOM 1033 O GLY A 67 2.037 4.129 -15.402 1.00 72.43 O ATOM 0 H GLY A 67 0.291 1.094 -16.290 1.00 44.30 H new ATOM 0 HA2 GLY A 67 3.019 1.395 -16.814 1.00 33.40 H new ATOM 0 HA3 GLY A 67 1.727 2.447 -17.358 1.00 33.40 H new ATOM 1037 N LYS A 68 3.828 2.853 -14.930 1.00 63.11 N ATOM 1038 CA LYS A 68 4.418 3.825 -14.018 1.00 2.24 C ATOM 1039 C LYS A 68 5.339 4.784 -14.765 1.00 64.12 C ATOM 1040 O LYS A 68 6.289 4.361 -15.425 1.00 74.22 O ATOM 1041 CB LYS A 68 5.198 3.110 -12.912 1.00 31.01 C ATOM 1042 CG LYS A 68 5.846 4.055 -11.915 1.00 53.52 C ATOM 1043 CD LYS A 68 6.958 3.371 -11.139 1.00 22.10 C ATOM 1044 CE LYS A 68 8.170 3.106 -12.019 1.00 22.41 C ATOM 1045 NZ LYS A 68 9.306 2.536 -11.242 1.00 12.42 N ATOM 0 H LYS A 68 4.371 1.996 -15.041 1.00 63.11 H new ATOM 0 HA LYS A 68 3.609 4.402 -13.569 1.00 2.24 H new ATOM 0 HB2 LYS A 68 4.524 2.440 -12.379 1.00 31.01 H new ATOM 0 HB3 LYS A 68 5.970 2.490 -13.367 1.00 31.01 H new ATOM 0 HG2 LYS A 68 6.248 4.921 -12.441 1.00 53.52 H new ATOM 0 HG3 LYS A 68 5.092 4.426 -11.221 1.00 53.52 H new ATOM 0 HD2 LYS A 68 7.250 3.994 -10.294 1.00 22.10 H new ATOM 0 HD3 LYS A 68 6.592 2.430 -10.729 1.00 22.10 H new ATOM 0 HE2 LYS A 68 7.895 2.418 -12.818 1.00 22.41 H new ATOM 0 HE3 LYS A 68 8.485 4.036 -12.493 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 10.112 2.370 -11.877 1.00 12.42 H new ATOM 0 HZ2 LYS A 68 9.586 3.204 -10.495 1.00 12.42 H new ATOM 0 HZ3 LYS A 68 9.014 1.636 -10.810 1.00 12.42 H new ATOM 1059 N VAL A 69 5.054 6.078 -14.656 1.00 60.41 N ATOM 1060 CA VAL A 69 5.859 7.097 -15.320 1.00 35.53 C ATOM 1061 C VAL A 69 7.242 7.203 -14.687 1.00 74.33 C ATOM 1062 O VAL A 69 7.370 7.422 -13.483 1.00 23.13 O ATOM 1063 CB VAL A 69 5.174 8.475 -15.266 1.00 1.34 C ATOM 1064 CG1 VAL A 69 6.009 9.515 -15.998 1.00 14.01 C ATOM 1065 CG2 VAL A 69 3.772 8.397 -15.850 1.00 71.12 C ATOM 0 H VAL A 69 4.272 6.445 -14.114 1.00 60.41 H new ATOM 0 HA VAL A 69 5.962 6.791 -16.361 1.00 35.53 H new ATOM 0 HB VAL A 69 5.091 8.779 -14.223 1.00 1.34 H new ATOM 0 HG11 VAL A 69 5.509 10.483 -15.949 1.00 14.01 H new ATOM 0 HG12 VAL A 69 6.990 9.589 -15.529 1.00 14.01 H new ATOM 0 HG13 VAL A 69 6.126 9.219 -17.041 1.00 14.01 H new ATOM 0 HG21 VAL A 69 3.303 9.380 -15.803 1.00 71.12 H new ATOM 0 HG22 VAL A 69 3.828 8.071 -16.888 1.00 71.12 H new ATOM 0 HG23 VAL A 69 3.178 7.684 -15.277 1.00 71.12 H new ATOM 1075 N VAL A 70 8.275 7.046 -15.508 1.00 43.33 N ATOM 1076 CA VAL A 70 9.650 7.126 -15.030 1.00 4.10 C ATOM 1077 C VAL A 70 10.395 8.282 -15.689 1.00 62.40 C ATOM 1078 O VAL A 70 11.433 8.725 -15.199 1.00 62.44 O ATOM 1079 CB VAL A 70 10.415 5.817 -15.299 1.00 62.43 C ATOM 1080 CG1 VAL A 70 9.589 4.616 -14.862 1.00 45.24 C ATOM 1081 CG2 VAL A 70 10.788 5.711 -16.770 1.00 60.33 C ATOM 0 H VAL A 70 8.186 6.863 -16.507 1.00 43.33 H new ATOM 0 HA VAL A 70 9.601 7.295 -13.954 1.00 4.10 H new ATOM 0 HB VAL A 70 11.335 5.827 -14.714 1.00 62.43 H new ATOM 0 HG11 VAL A 70 10.146 3.700 -15.060 1.00 45.24 H new ATOM 0 HG12 VAL A 70 9.377 4.689 -13.795 1.00 45.24 H new ATOM 0 HG13 VAL A 70 8.651 4.598 -15.417 1.00 45.24 H new ATOM 0 HG21 VAL A 70 11.328 4.780 -16.942 1.00 60.33 H new ATOM 0 HG22 VAL A 70 9.883 5.723 -17.377 1.00 60.33 H new ATOM 0 HG23 VAL A 70 11.421 6.554 -17.046 1.00 60.33 H new ATOM 1091 N GLY A 71 9.857 8.767 -16.804 1.00 31.50 N ATOM 1092 CA GLY A 71 10.484 9.867 -17.513 1.00 14.15 C ATOM 1093 C GLY A 71 9.507 10.621 -18.393 1.00 12.12 C ATOM 1094 O GLY A 71 8.654 10.017 -19.044 1.00 32.13 O ATOM 0 H GLY A 71 8.998 8.418 -17.229 1.00 31.50 H new ATOM 0 HA2 GLY A 71 10.925 10.555 -16.792 1.00 14.15 H new ATOM 0 HA3 GLY A 71 11.299 9.483 -18.126 1.00 14.15 H new ATOM 1098 N ILE A 72 9.630 11.944 -18.412 1.00 73.02 N ATOM 1099 CA ILE A 72 8.750 12.781 -19.219 1.00 30.33 C ATOM 1100 C ILE A 72 9.552 13.714 -20.120 1.00 22.45 C ATOM 1101 O ILE A 72 10.508 14.350 -19.677 1.00 2.42 O ATOM 1102 CB ILE A 72 7.808 13.621 -18.337 1.00 2.54 C ATOM 1103 CG1 ILE A 72 6.912 12.710 -17.496 1.00 74.34 C ATOM 1104 CG2 ILE A 72 6.968 14.553 -19.197 1.00 53.01 C ATOM 1105 CD1 ILE A 72 6.184 13.435 -16.386 1.00 73.31 C ATOM 0 H ILE A 72 10.330 12.459 -17.878 1.00 73.02 H new ATOM 0 HA ILE A 72 8.154 12.109 -19.836 1.00 30.33 H new ATOM 0 HB ILE A 72 8.412 14.227 -17.662 1.00 2.54 H new ATOM 0 HG12 ILE A 72 6.180 12.232 -18.147 1.00 74.34 H new ATOM 0 HG13 ILE A 72 7.520 11.916 -17.063 1.00 74.34 H new ATOM 0 HG21 ILE A 72 6.307 15.140 -18.559 1.00 53.01 H new ATOM 0 HG22 ILE A 72 7.623 15.222 -19.755 1.00 53.01 H new ATOM 0 HG23 ILE A 72 6.371 13.965 -19.894 1.00 53.01 H new ATOM 0 HD11 ILE A 72 5.568 12.727 -15.832 1.00 73.31 H new ATOM 0 HD12 ILE A 72 6.909 13.890 -15.712 1.00 73.31 H new ATOM 0 HD13 ILE A 72 5.549 14.211 -16.813 1.00 73.31 H new ATOM 1117 N SER A 73 9.155 13.791 -21.386 1.00 23.33 N ATOM 1118 CA SER A 73 9.838 14.645 -22.350 1.00 65.33 C ATOM 1119 C SER A 73 8.861 15.617 -23.003 1.00 12.20 C ATOM 1120 O SER A 73 7.718 15.749 -22.568 1.00 15.43 O ATOM 1121 CB SER A 73 10.522 13.794 -23.423 1.00 35.23 C ATOM 1122 OG SER A 73 11.169 12.672 -22.848 1.00 3.22 O ATOM 0 H SER A 73 8.364 13.272 -21.768 1.00 23.33 H new ATOM 0 HA SER A 73 10.594 15.221 -21.816 1.00 65.33 H new ATOM 0 HB2 SER A 73 9.783 13.458 -24.151 1.00 35.23 H new ATOM 0 HB3 SER A 73 11.249 14.400 -23.963 1.00 35.23 H new ATOM 0 HG SER A 73 11.946 12.428 -23.393 1.00 3.22 H new ATOM 1128 N GLU A 74 9.321 16.295 -24.050 1.00 15.41 N ATOM 1129 CA GLU A 74 8.487 17.257 -24.762 1.00 61.43 C ATOM 1130 C GLU A 74 7.721 16.579 -25.895 1.00 21.54 C ATOM 1131 O GLU A 74 6.774 17.141 -26.442 1.00 41.43 O ATOM 1132 CB GLU A 74 9.345 18.393 -25.322 1.00 2.44 C ATOM 1133 CG GLU A 74 10.259 17.964 -26.457 1.00 50.31 C ATOM 1134 CD GLU A 74 11.330 18.993 -26.765 1.00 30.35 C ATOM 1135 OE1 GLU A 74 11.187 20.150 -26.319 1.00 2.34 O ATOM 1136 OE2 GLU A 74 12.311 18.639 -27.451 1.00 44.13 O ATOM 0 H GLU A 74 10.265 16.196 -24.424 1.00 15.41 H new ATOM 0 HA GLU A 74 7.767 17.669 -24.054 1.00 61.43 H new ATOM 0 HB2 GLU A 74 8.691 19.190 -25.675 1.00 2.44 H new ATOM 0 HB3 GLU A 74 9.950 18.810 -24.517 1.00 2.44 H new ATOM 0 HG2 GLU A 74 10.734 17.018 -26.198 1.00 50.31 H new ATOM 0 HG3 GLU A 74 9.662 17.787 -27.352 1.00 50.31 H new ATOM 1143 N GLY A 75 8.139 15.365 -26.241 1.00 24.34 N ATOM 1144 CA GLY A 75 7.483 14.630 -27.306 1.00 20.51 C ATOM 1145 C GLY A 75 7.490 13.133 -27.067 1.00 65.42 C ATOM 1146 O GLY A 75 7.235 12.349 -27.982 1.00 34.13 O ATOM 0 H GLY A 75 8.920 14.878 -25.802 1.00 24.34 H new ATOM 0 HA2 GLY A 75 6.453 14.975 -27.401 1.00 20.51 H new ATOM 0 HA3 GLY A 75 7.980 14.846 -28.252 1.00 20.51 H new ATOM 1150 N LYS A 76 7.786 12.733 -25.835 1.00 42.10 N ATOM 1151 CA LYS A 76 7.827 11.320 -25.477 1.00 51.14 C ATOM 1152 C LYS A 76 7.758 11.140 -23.964 1.00 64.44 C ATOM 1153 O LYS A 76 8.298 11.948 -23.209 1.00 24.04 O ATOM 1154 CB LYS A 76 9.102 10.672 -26.022 1.00 33.41 C ATOM 1155 CG LYS A 76 10.377 11.356 -25.562 1.00 12.55 C ATOM 1156 CD LYS A 76 11.598 10.799 -26.274 1.00 54.45 C ATOM 1157 CE LYS A 76 11.696 11.320 -27.700 1.00 45.21 C ATOM 1158 NZ LYS A 76 12.499 10.414 -28.567 1.00 70.13 N ATOM 0 H LYS A 76 8.001 13.368 -25.067 1.00 42.10 H new ATOM 0 HA LYS A 76 6.960 10.832 -25.922 1.00 51.14 H new ATOM 0 HB2 LYS A 76 9.129 9.627 -25.713 1.00 33.41 H new ATOM 0 HB3 LYS A 76 9.067 10.682 -27.111 1.00 33.41 H new ATOM 0 HG2 LYS A 76 10.304 12.427 -25.748 1.00 12.55 H new ATOM 0 HG3 LYS A 76 10.492 11.227 -24.486 1.00 12.55 H new ATOM 0 HD2 LYS A 76 12.498 11.072 -25.723 1.00 54.45 H new ATOM 0 HD3 LYS A 76 11.549 9.710 -26.286 1.00 54.45 H new ATOM 0 HE2 LYS A 76 10.695 11.428 -28.117 1.00 45.21 H new ATOM 0 HE3 LYS A 76 12.148 12.312 -27.694 1.00 45.21 H new ATOM 0 HZ1 LYS A 76 12.542 10.804 -29.530 1.00 70.13 H new ATOM 0 HZ2 LYS A 76 13.462 10.330 -28.184 1.00 70.13 H new ATOM 0 HZ3 LYS A 76 12.054 9.474 -28.593 1.00 70.13 H new ATOM 1172 N ILE A 77 7.093 10.075 -23.530 1.00 30.23 N ATOM 1173 CA ILE A 77 6.957 9.788 -22.107 1.00 60.11 C ATOM 1174 C ILE A 77 7.369 8.353 -21.794 1.00 13.52 C ATOM 1175 O ILE A 77 6.693 7.403 -22.187 1.00 73.32 O ATOM 1176 CB ILE A 77 5.512 10.013 -21.623 1.00 24.20 C ATOM 1177 CG1 ILE A 77 4.979 11.349 -22.144 1.00 71.21 C ATOM 1178 CG2 ILE A 77 5.450 9.968 -20.104 1.00 31.35 C ATOM 1179 CD1 ILE A 77 5.842 12.533 -21.767 1.00 33.43 C ATOM 0 H ILE A 77 6.640 9.397 -24.143 1.00 30.23 H new ATOM 0 HA ILE A 77 7.619 10.476 -21.581 1.00 60.11 H new ATOM 0 HB ILE A 77 4.884 9.214 -22.017 1.00 24.20 H new ATOM 0 HG12 ILE A 77 4.898 11.300 -23.230 1.00 71.21 H new ATOM 0 HG13 ILE A 77 3.972 11.505 -21.756 1.00 71.21 H new ATOM 0 HG21 ILE A 77 4.423 10.129 -19.777 1.00 31.35 H new ATOM 0 HG22 ILE A 77 5.794 8.995 -19.754 1.00 31.35 H new ATOM 0 HG23 ILE A 77 6.089 10.749 -19.691 1.00 31.35 H new ATOM 0 HD11 ILE A 77 5.403 13.446 -22.170 1.00 33.43 H new ATOM 0 HD12 ILE A 77 5.903 12.608 -20.681 1.00 33.43 H new ATOM 0 HD13 ILE A 77 6.843 12.399 -22.178 1.00 33.43 H new ATOM 1191 N ASP A 78 8.481 8.205 -21.082 1.00 55.11 N ATOM 1192 CA ASP A 78 8.982 6.886 -20.713 1.00 14.34 C ATOM 1193 C ASP A 78 8.268 6.362 -19.470 1.00 41.42 C ATOM 1194 O ASP A 78 8.281 7.002 -18.418 1.00 74.22 O ATOM 1195 CB ASP A 78 10.490 6.941 -20.465 1.00 12.44 C ATOM 1196 CG ASP A 78 11.292 6.786 -21.741 1.00 45.24 C ATOM 1197 OD1 ASP A 78 11.529 5.633 -22.156 1.00 63.42 O ATOM 1198 OD2 ASP A 78 11.685 7.818 -22.325 1.00 53.43 O ATOM 0 H ASP A 78 9.052 8.982 -20.749 1.00 55.11 H new ATOM 0 HA ASP A 78 8.782 6.204 -21.540 1.00 14.34 H new ATOM 0 HB2 ASP A 78 10.743 7.890 -19.993 1.00 12.44 H new ATOM 0 HB3 ASP A 78 10.769 6.153 -19.766 1.00 12.44 H new ATOM 1203 N VAL A 79 7.645 5.195 -19.600 1.00 3.24 N ATOM 1204 CA VAL A 79 6.926 4.585 -18.488 1.00 22.03 C ATOM 1205 C VAL A 79 7.123 3.073 -18.469 1.00 42.32 C ATOM 1206 O VAL A 79 7.335 2.452 -19.511 1.00 51.22 O ATOM 1207 CB VAL A 79 5.419 4.894 -18.557 1.00 11.43 C ATOM 1208 CG1 VAL A 79 5.189 6.380 -18.790 1.00 72.21 C ATOM 1209 CG2 VAL A 79 4.755 4.066 -19.646 1.00 52.01 C ATOM 0 H VAL A 79 7.624 4.653 -20.464 1.00 3.24 H new ATOM 0 HA VAL A 79 7.336 5.013 -17.573 1.00 22.03 H new ATOM 0 HB VAL A 79 4.966 4.626 -17.602 1.00 11.43 H new ATOM 0 HG11 VAL A 79 4.118 6.580 -18.836 1.00 72.21 H new ATOM 0 HG12 VAL A 79 5.629 6.949 -17.971 1.00 72.21 H new ATOM 0 HG13 VAL A 79 5.654 6.677 -19.730 1.00 72.21 H new ATOM 0 HG21 VAL A 79 3.690 4.297 -19.681 1.00 52.01 H new ATOM 0 HG22 VAL A 79 5.209 4.300 -20.609 1.00 52.01 H new ATOM 0 HG23 VAL A 79 4.889 3.006 -19.430 1.00 52.01 H new ATOM 1219 N ILE A 80 7.052 2.487 -17.279 1.00 15.42 N ATOM 1220 CA ILE A 80 7.220 1.048 -17.125 1.00 64.22 C ATOM 1221 C ILE A 80 5.873 0.333 -17.126 1.00 3.10 C ATOM 1222 O ILE A 80 5.048 0.544 -16.238 1.00 72.02 O ATOM 1223 CB ILE A 80 7.970 0.705 -15.824 1.00 61.44 C ATOM 1224 CG1 ILE A 80 9.482 0.771 -16.049 1.00 22.31 C ATOM 1225 CG2 ILE A 80 7.563 -0.674 -15.326 1.00 72.03 C ATOM 1226 CD1 ILE A 80 10.017 -0.362 -16.897 1.00 41.44 C ATOM 0 H ILE A 80 6.879 2.987 -16.407 1.00 15.42 H new ATOM 0 HA ILE A 80 7.810 0.707 -17.976 1.00 64.22 H new ATOM 0 HB ILE A 80 7.702 1.438 -15.063 1.00 61.44 H new ATOM 0 HG12 ILE A 80 9.729 1.719 -16.526 1.00 22.31 H new ATOM 0 HG13 ILE A 80 9.986 0.760 -15.082 1.00 22.31 H new ATOM 0 HG21 ILE A 80 8.101 -0.902 -14.406 1.00 72.03 H new ATOM 0 HG22 ILE A 80 6.491 -0.689 -15.132 1.00 72.03 H new ATOM 0 HG23 ILE A 80 7.805 -1.420 -16.083 1.00 72.03 H new ATOM 0 HD11 ILE A 80 11.095 -0.251 -17.015 1.00 41.44 H new ATOM 0 HD12 ILE A 80 9.801 -1.313 -16.411 1.00 41.44 H new ATOM 0 HD13 ILE A 80 9.541 -0.339 -17.877 1.00 41.44 H new ATOM 1238 N GLU A 81 5.660 -0.514 -18.128 1.00 33.22 N ATOM 1239 CA GLU A 81 4.413 -1.261 -18.243 1.00 34.01 C ATOM 1240 C GLU A 81 4.655 -2.756 -18.057 1.00 74.20 C ATOM 1241 O GLU A 81 5.681 -3.287 -18.482 1.00 42.13 O ATOM 1242 CB GLU A 81 3.762 -1.004 -19.604 1.00 10.13 C ATOM 1243 CG GLU A 81 3.458 0.462 -19.866 1.00 30.41 C ATOM 1244 CD GLU A 81 3.438 0.798 -21.344 1.00 63.13 C ATOM 1245 OE1 GLU A 81 3.551 -0.135 -22.167 1.00 51.41 O ATOM 1246 OE2 GLU A 81 3.310 1.995 -21.678 1.00 70.52 O ATOM 0 H GLU A 81 6.334 -0.700 -18.871 1.00 33.22 H new ATOM 0 HA GLU A 81 3.741 -0.919 -17.456 1.00 34.01 H new ATOM 0 HB2 GLU A 81 4.421 -1.376 -20.389 1.00 10.13 H new ATOM 0 HB3 GLU A 81 2.836 -1.576 -19.668 1.00 10.13 H new ATOM 0 HG2 GLU A 81 2.492 0.713 -19.427 1.00 30.41 H new ATOM 0 HG3 GLU A 81 4.205 1.079 -19.367 1.00 30.41 H new ATOM 1253 N ILE A 82 3.703 -3.429 -17.419 1.00 11.33 N ATOM 1254 CA ILE A 82 3.812 -4.862 -17.177 1.00 0.12 C ATOM 1255 C ILE A 82 3.101 -5.659 -18.266 1.00 4.15 C ATOM 1256 O ILE A 82 1.963 -5.360 -18.626 1.00 32.02 O ATOM 1257 CB ILE A 82 3.224 -5.248 -15.807 1.00 32.11 C ATOM 1258 CG1 ILE A 82 4.140 -4.766 -14.680 1.00 14.10 C ATOM 1259 CG2 ILE A 82 3.020 -6.753 -15.723 1.00 74.44 C ATOM 1260 CD1 ILE A 82 4.070 -3.274 -14.441 1.00 50.23 C ATOM 0 H ILE A 82 2.848 -3.005 -17.060 1.00 11.33 H new ATOM 0 HA ILE A 82 4.875 -5.104 -17.188 1.00 0.12 H new ATOM 0 HB ILE A 82 2.255 -4.763 -15.695 1.00 32.11 H new ATOM 0 HG12 ILE A 82 3.875 -5.286 -13.760 1.00 14.10 H new ATOM 0 HG13 ILE A 82 5.168 -5.040 -14.916 1.00 14.10 H new ATOM 0 HG21 ILE A 82 2.604 -7.010 -14.749 1.00 74.44 H new ATOM 0 HG22 ILE A 82 2.332 -7.071 -16.507 1.00 74.44 H new ATOM 0 HG23 ILE A 82 3.977 -7.258 -15.853 1.00 74.44 H new ATOM 0 HD11 ILE A 82 4.745 -3.004 -13.629 1.00 50.23 H new ATOM 0 HD12 ILE A 82 4.364 -2.746 -15.348 1.00 50.23 H new ATOM 0 HD13 ILE A 82 3.051 -2.996 -14.174 1.00 50.23 H new ATOM 1272 N VAL A 83 3.781 -6.676 -18.785 1.00 74.43 N ATOM 1273 CA VAL A 83 3.214 -7.519 -19.831 1.00 73.42 C ATOM 1274 C VAL A 83 3.508 -8.992 -19.570 1.00 32.23 C ATOM 1275 O VAL A 83 4.467 -9.347 -18.884 1.00 71.22 O ATOM 1276 CB VAL A 83 3.761 -7.136 -21.219 1.00 60.40 C ATOM 1277 CG1 VAL A 83 3.086 -5.873 -21.729 1.00 52.53 C ATOM 1278 CG2 VAL A 83 5.271 -6.960 -21.166 1.00 10.35 C ATOM 0 H VAL A 83 4.725 -6.936 -18.499 1.00 74.43 H new ATOM 0 HA VAL A 83 2.136 -7.359 -19.816 1.00 73.42 H new ATOM 0 HB VAL A 83 3.537 -7.945 -21.915 1.00 60.40 H new ATOM 0 HG11 VAL A 83 3.485 -5.618 -22.711 1.00 52.53 H new ATOM 0 HG12 VAL A 83 2.012 -6.041 -21.807 1.00 52.53 H new ATOM 0 HG13 VAL A 83 3.276 -5.054 -21.036 1.00 52.53 H new ATOM 0 HG21 VAL A 83 5.641 -6.690 -22.155 1.00 10.35 H new ATOM 0 HG22 VAL A 83 5.521 -6.171 -20.457 1.00 10.35 H new ATOM 0 HG23 VAL A 83 5.735 -7.894 -20.848 1.00 10.35 H new ATOM 1288 N PRO A 84 2.664 -9.872 -20.129 1.00 31.44 N ATOM 1289 CA PRO A 84 2.813 -11.322 -19.971 1.00 23.11 C ATOM 1290 C PRO A 84 4.028 -11.864 -20.717 1.00 32.34 C ATOM 1291 O PRO A 84 4.460 -11.292 -21.717 1.00 5.31 O ATOM 1292 CB PRO A 84 1.522 -11.880 -20.575 1.00 41.52 C ATOM 1293 CG PRO A 84 1.077 -10.839 -21.544 1.00 42.00 C ATOM 1294 CD PRO A 84 1.499 -9.520 -20.958 1.00 64.01 C ATOM 0 HA PRO A 84 2.969 -11.605 -18.930 1.00 23.11 H new ATOM 0 HB2 PRO A 84 1.697 -12.834 -21.072 1.00 41.52 H new ATOM 0 HB3 PRO A 84 0.768 -12.054 -19.807 1.00 41.52 H new ATOM 0 HG2 PRO A 84 1.533 -10.995 -22.522 1.00 42.00 H new ATOM 0 HG3 PRO A 84 -0.003 -10.875 -21.687 1.00 42.00 H new ATOM 0 HD2 PRO A 84 1.761 -8.801 -21.734 1.00 64.01 H new ATOM 0 HD3 PRO A 84 0.703 -9.072 -20.363 1.00 64.01 H new ATOM 1302 N ASP A 85 4.573 -12.971 -20.224 1.00 2.11 N ATOM 1303 CA ASP A 85 5.738 -13.591 -20.845 1.00 34.40 C ATOM 1304 C ASP A 85 5.313 -14.639 -21.869 1.00 63.33 C ATOM 1305 O ASP A 85 5.776 -14.631 -23.009 1.00 63.10 O ATOM 1306 CB ASP A 85 6.629 -14.233 -19.780 1.00 41.43 C ATOM 1307 CG ASP A 85 7.921 -14.776 -20.358 1.00 2.12 C ATOM 1308 OD1 ASP A 85 8.693 -13.982 -20.935 1.00 11.32 O ATOM 1309 OD2 ASP A 85 8.161 -15.995 -20.234 1.00 35.54 O ATOM 0 H ASP A 85 4.227 -13.457 -19.397 1.00 2.11 H new ATOM 0 HA ASP A 85 6.303 -12.813 -21.359 1.00 34.40 H new ATOM 0 HB2 ASP A 85 6.860 -13.496 -19.011 1.00 41.43 H new ATOM 0 HB3 ASP A 85 6.084 -15.042 -19.293 1.00 41.43 H new ATOM 1314 N GLY A 86 4.430 -15.542 -21.454 1.00 54.10 N ATOM 1315 CA GLY A 86 3.959 -16.585 -22.347 1.00 12.41 C ATOM 1316 C GLY A 86 3.393 -17.776 -21.600 1.00 1.02 C ATOM 1317 O GLY A 86 2.434 -18.401 -22.051 1.00 50.33 O ATOM 0 H GLY A 86 4.032 -15.570 -20.515 1.00 54.10 H new ATOM 0 HA2 GLY A 86 3.193 -16.176 -23.006 1.00 12.41 H new ATOM 0 HA3 GLY A 86 4.782 -16.915 -22.981 1.00 12.41 H new ATOM 1321 N GLU A 87 3.990 -18.092 -20.455 1.00 34.14 N ATOM 1322 CA GLU A 87 3.540 -19.219 -19.645 1.00 52.34 C ATOM 1323 C GLU A 87 2.576 -18.756 -18.557 1.00 33.13 C ATOM 1324 O GLU A 87 1.739 -19.525 -18.086 1.00 13.02 O ATOM 1325 CB GLU A 87 4.737 -19.931 -19.013 1.00 1.15 C ATOM 1326 CG GLU A 87 5.314 -19.201 -17.811 1.00 62.13 C ATOM 1327 CD GLU A 87 6.685 -19.717 -17.418 1.00 73.21 C ATOM 1328 OE1 GLU A 87 7.674 -19.330 -18.074 1.00 64.24 O ATOM 1329 OE2 GLU A 87 6.768 -20.508 -16.455 1.00 51.22 O ATOM 0 H GLU A 87 4.785 -17.584 -20.067 1.00 34.14 H new ATOM 0 HA GLU A 87 3.015 -19.917 -20.298 1.00 52.34 H new ATOM 0 HB2 GLU A 87 4.434 -20.933 -18.708 1.00 1.15 H new ATOM 0 HB3 GLU A 87 5.517 -20.049 -19.765 1.00 1.15 H new ATOM 0 HG2 GLU A 87 5.381 -18.136 -18.035 1.00 62.13 H new ATOM 0 HG3 GLU A 87 4.634 -19.307 -16.966 1.00 62.13 H new ATOM 1336 N GLY A 88 2.701 -17.493 -18.161 1.00 51.32 N ATOM 1337 CA GLY A 88 1.836 -16.949 -17.131 1.00 14.21 C ATOM 1338 C GLY A 88 2.531 -15.903 -16.282 1.00 61.12 C ATOM 1339 O GLY A 88 1.882 -15.154 -15.553 1.00 43.14 O ATOM 0 H GLY A 88 3.386 -16.837 -18.535 1.00 51.32 H new ATOM 0 HA2 GLY A 88 0.955 -16.507 -17.597 1.00 14.21 H new ATOM 0 HA3 GLY A 88 1.486 -17.758 -16.490 1.00 14.21 H new ATOM 1343 N ASN A 89 3.856 -15.853 -16.375 1.00 60.14 N ATOM 1344 CA ASN A 89 4.641 -14.893 -15.608 1.00 15.40 C ATOM 1345 C ASN A 89 4.732 -13.557 -16.339 1.00 51.24 C ATOM 1346 O ASN A 89 4.914 -13.515 -17.556 1.00 61.31 O ATOM 1347 CB ASN A 89 6.045 -15.442 -15.348 1.00 12.51 C ATOM 1348 CG ASN A 89 6.932 -15.366 -16.576 1.00 13.13 C ATOM 1349 OD1 ASN A 89 7.411 -14.293 -16.944 1.00 75.31 O ATOM 1350 ND2 ASN A 89 7.154 -16.508 -17.216 1.00 3.13 N ATOM 0 H ASN A 89 4.408 -16.466 -16.974 1.00 60.14 H new ATOM 0 HA ASN A 89 4.139 -14.731 -14.654 1.00 15.40 H new ATOM 0 HB2 ASN A 89 6.506 -14.882 -14.535 1.00 12.51 H new ATOM 0 HB3 ASN A 89 5.972 -16.479 -15.020 1.00 12.51 H new ATOM 0 HD21 ASN A 89 7.743 -16.520 -18.049 1.00 3.13 H new ATOM 0 HD22 ASN A 89 6.736 -17.374 -16.875 1.00 3.13 H new ATOM 1357 N TRP A 90 4.605 -12.468 -15.589 1.00 72.33 N ATOM 1358 CA TRP A 90 4.674 -11.130 -16.166 1.00 73.53 C ATOM 1359 C TRP A 90 6.081 -10.556 -16.042 1.00 55.12 C ATOM 1360 O TRP A 90 6.890 -11.037 -15.248 1.00 45.34 O ATOM 1361 CB TRP A 90 3.669 -10.204 -15.480 1.00 33.35 C ATOM 1362 CG TRP A 90 2.269 -10.740 -15.482 1.00 60.20 C ATOM 1363 CD1 TRP A 90 1.774 -11.743 -14.699 1.00 22.44 C ATOM 1364 CD2 TRP A 90 1.185 -10.302 -16.309 1.00 23.41 C ATOM 1365 NE1 TRP A 90 0.448 -11.956 -14.989 1.00 11.44 N ATOM 1366 CE2 TRP A 90 0.063 -11.084 -15.972 1.00 54.24 C ATOM 1367 CE3 TRP A 90 1.053 -9.325 -17.299 1.00 63.20 C ATOM 1368 CZ2 TRP A 90 -1.173 -10.917 -16.593 1.00 22.34 C ATOM 1369 CZ3 TRP A 90 -0.173 -9.161 -17.914 1.00 34.41 C ATOM 1370 CH2 TRP A 90 -1.273 -9.953 -17.559 1.00 34.34 C ATOM 0 H TRP A 90 4.454 -12.485 -14.580 1.00 72.33 H new ATOM 0 HA TRP A 90 4.424 -11.204 -17.224 1.00 73.53 H new ATOM 0 HB2 TRP A 90 3.985 -10.036 -14.450 1.00 33.35 H new ATOM 0 HB3 TRP A 90 3.680 -9.235 -15.979 1.00 33.35 H new ATOM 0 HD1 TRP A 90 2.342 -12.289 -13.960 1.00 22.44 H new ATOM 0 HE1 TRP A 90 -0.152 -12.651 -14.544 1.00 11.44 H new ATOM 0 HE3 TRP A 90 1.895 -8.709 -17.579 1.00 63.20 H new ATOM 0 HZ2 TRP A 90 -2.022 -11.527 -16.322 1.00 22.34 H new ATOM 0 HZ3 TRP A 90 -0.286 -8.410 -18.681 1.00 34.41 H new ATOM 0 HH2 TRP A 90 -2.219 -9.800 -18.058 1.00 34.34 H new ATOM 1381 N LEU A 91 6.366 -9.525 -16.830 1.00 74.33 N ATOM 1382 CA LEU A 91 7.676 -8.885 -16.808 1.00 50.50 C ATOM 1383 C LEU A 91 7.556 -7.389 -17.083 1.00 74.12 C ATOM 1384 O LEU A 91 6.560 -6.930 -17.642 1.00 10.35 O ATOM 1385 CB LEU A 91 8.600 -9.532 -17.841 1.00 73.01 C ATOM 1386 CG LEU A 91 9.856 -10.206 -17.289 1.00 4.21 C ATOM 1387 CD1 LEU A 91 10.663 -9.226 -16.451 1.00 42.12 C ATOM 1388 CD2 LEU A 91 9.487 -11.433 -16.469 1.00 31.22 C ATOM 0 H LEU A 91 5.707 -9.115 -17.492 1.00 74.33 H new ATOM 0 HA LEU A 91 8.102 -9.020 -15.814 1.00 50.50 H new ATOM 0 HB2 LEU A 91 8.027 -10.275 -18.396 1.00 73.01 H new ATOM 0 HB3 LEU A 91 8.906 -8.767 -18.555 1.00 73.01 H new ATOM 0 HG LEU A 91 10.471 -10.527 -18.129 1.00 4.21 H new ATOM 0 HD11 LEU A 91 11.553 -9.723 -16.066 1.00 42.12 H new ATOM 0 HD12 LEU A 91 10.959 -8.378 -17.068 1.00 42.12 H new ATOM 0 HD13 LEU A 91 10.055 -8.874 -15.617 1.00 42.12 H new ATOM 0 HD21 LEU A 91 10.394 -11.900 -16.084 1.00 31.22 H new ATOM 0 HD22 LEU A 91 8.850 -11.136 -15.636 1.00 31.22 H new ATOM 0 HD23 LEU A 91 8.952 -12.144 -17.099 1.00 31.22 H new ATOM 1400 N GLU A 92 8.578 -6.636 -16.689 1.00 53.20 N ATOM 1401 CA GLU A 92 8.586 -5.192 -16.895 1.00 31.30 C ATOM 1402 C GLU A 92 8.871 -4.853 -18.355 1.00 54.32 C ATOM 1403 O GLU A 92 9.582 -5.582 -19.046 1.00 22.22 O ATOM 1404 CB GLU A 92 9.631 -4.532 -15.993 1.00 61.13 C ATOM 1405 CG GLU A 92 9.361 -4.720 -14.510 1.00 23.31 C ATOM 1406 CD GLU A 92 10.533 -4.297 -13.646 1.00 11.55 C ATOM 1407 OE1 GLU A 92 11.626 -4.881 -13.798 1.00 52.25 O ATOM 1408 OE2 GLU A 92 10.356 -3.380 -12.816 1.00 2.21 O ATOM 0 H GLU A 92 9.410 -7.001 -16.226 1.00 53.20 H new ATOM 0 HA GLU A 92 7.599 -4.808 -16.637 1.00 31.30 H new ATOM 0 HB2 GLU A 92 10.613 -4.941 -16.230 1.00 61.13 H new ATOM 0 HB3 GLU A 92 9.668 -3.465 -16.215 1.00 61.13 H new ATOM 0 HG2 GLU A 92 8.480 -4.143 -14.229 1.00 23.31 H new ATOM 0 HG3 GLU A 92 9.131 -5.768 -14.316 1.00 23.31 H new ATOM 1415 N ARG A 93 8.309 -3.741 -18.818 1.00 41.42 N ATOM 1416 CA ARG A 93 8.500 -3.305 -20.196 1.00 45.32 C ATOM 1417 C ARG A 93 8.459 -1.783 -20.296 1.00 11.44 C ATOM 1418 O ARG A 93 7.399 -1.175 -20.449 1.00 43.34 O ATOM 1419 CB ARG A 93 7.428 -3.915 -21.100 1.00 51.03 C ATOM 1420 CG ARG A 93 7.879 -4.102 -22.540 1.00 30.24 C ATOM 1421 CD ARG A 93 8.952 -5.174 -22.652 1.00 75.33 C ATOM 1422 NE ARG A 93 9.312 -5.444 -24.042 1.00 2.24 N ATOM 1423 CZ ARG A 93 10.075 -6.464 -24.418 1.00 45.42 C ATOM 1424 NH1 ARG A 93 10.556 -7.306 -23.514 1.00 14.02 N ATOM 1425 NH2 ARG A 93 10.360 -6.643 -25.702 1.00 15.21 N ATOM 0 H ARG A 93 7.718 -3.126 -18.259 1.00 41.42 H new ATOM 0 HA ARG A 93 9.481 -3.647 -20.526 1.00 45.32 H new ATOM 0 HB2 ARG A 93 7.129 -4.881 -20.694 1.00 51.03 H new ATOM 0 HB3 ARG A 93 6.545 -3.276 -21.085 1.00 51.03 H new ATOM 0 HG2 ARG A 93 7.024 -4.376 -23.158 1.00 30.24 H new ATOM 0 HG3 ARG A 93 8.264 -3.159 -22.928 1.00 30.24 H new ATOM 0 HD2 ARG A 93 9.839 -4.858 -22.102 1.00 75.33 H new ATOM 0 HD3 ARG A 93 8.597 -6.092 -22.184 1.00 75.33 H new ATOM 0 HE ARG A 93 8.958 -4.815 -24.763 1.00 2.24 H new ATOM 0 HH11 ARG A 93 10.340 -7.172 -22.526 1.00 14.02 H new ATOM 0 HH12 ARG A 93 11.142 -8.088 -23.806 1.00 14.02 H new ATOM 0 HH21 ARG A 93 9.993 -5.997 -26.401 1.00 15.21 H new ATOM 0 HH22 ARG A 93 10.946 -7.427 -25.990 1.00 15.21 H new ATOM 1439 N PRO A 94 9.639 -1.151 -20.205 1.00 53.14 N ATOM 1440 CA PRO A 94 9.764 0.308 -20.283 1.00 33.44 C ATOM 1441 C PRO A 94 9.474 0.841 -21.681 1.00 41.05 C ATOM 1442 O PRO A 94 10.349 0.845 -22.548 1.00 12.23 O ATOM 1443 CB PRO A 94 11.226 0.559 -19.907 1.00 22.43 C ATOM 1444 CG PRO A 94 11.931 -0.705 -20.261 1.00 72.15 C ATOM 1445 CD PRO A 94 10.942 -1.812 -20.022 1.00 34.03 C ATOM 0 HA PRO A 94 9.050 0.814 -19.633 1.00 33.44 H new ATOM 0 HB2 PRO A 94 11.636 1.408 -20.455 1.00 22.43 H new ATOM 0 HB3 PRO A 94 11.328 0.786 -18.846 1.00 22.43 H new ATOM 0 HG2 PRO A 94 12.258 -0.691 -21.301 1.00 72.15 H new ATOM 0 HG3 PRO A 94 12.823 -0.839 -19.648 1.00 72.15 H new ATOM 0 HD2 PRO A 94 11.079 -2.632 -20.727 1.00 34.03 H new ATOM 0 HD3 PRO A 94 11.043 -2.232 -19.021 1.00 34.03 H new ATOM 1453 N ARG A 95 8.242 1.291 -21.895 1.00 32.51 N ATOM 1454 CA ARG A 95 7.837 1.826 -23.189 1.00 63.34 C ATOM 1455 C ARG A 95 7.803 3.351 -23.160 1.00 71.14 C ATOM 1456 O ARG A 95 7.707 3.959 -22.095 1.00 13.52 O ATOM 1457 CB ARG A 95 6.463 1.281 -23.583 1.00 50.33 C ATOM 1458 CG ARG A 95 6.077 1.585 -25.022 1.00 20.13 C ATOM 1459 CD ARG A 95 5.366 0.407 -25.668 1.00 71.53 C ATOM 1460 NE ARG A 95 4.123 0.072 -24.978 1.00 61.53 N ATOM 1461 CZ ARG A 95 3.527 -1.112 -25.071 1.00 0.00 C ATOM 1462 NH1 ARG A 95 4.058 -2.068 -25.820 1.00 73.34 N ATOM 1463 NH2 ARG A 95 2.398 -1.341 -24.413 1.00 11.23 N ATOM 0 H ARG A 95 7.507 1.296 -21.188 1.00 32.51 H new ATOM 0 HA ARG A 95 8.571 1.510 -23.930 1.00 63.34 H new ATOM 0 HB2 ARG A 95 6.453 0.201 -23.433 1.00 50.33 H new ATOM 0 HB3 ARG A 95 5.710 1.702 -22.917 1.00 50.33 H new ATOM 0 HG2 ARG A 95 5.430 2.461 -25.049 1.00 20.13 H new ATOM 0 HG3 ARG A 95 6.971 1.831 -25.595 1.00 20.13 H new ATOM 0 HD2 ARG A 95 5.150 0.641 -26.710 1.00 71.53 H new ATOM 0 HD3 ARG A 95 6.026 -0.460 -25.666 1.00 71.53 H new ATOM 0 HE ARG A 95 3.689 0.786 -24.393 1.00 61.53 H new ATOM 0 HH11 ARG A 95 4.926 -1.896 -26.327 1.00 73.34 H new ATOM 0 HH12 ARG A 95 3.598 -2.976 -25.890 1.00 73.34 H new ATOM 0 HH21 ARG A 95 1.987 -0.608 -23.835 1.00 11.23 H new ATOM 0 HH22 ARG A 95 1.941 -2.250 -24.485 1.00 11.23 H new ATOM 1477 N SER A 96 7.883 3.962 -24.338 1.00 73.01 N ATOM 1478 CA SER A 96 7.865 5.416 -24.448 1.00 21.13 C ATOM 1479 C SER A 96 6.687 5.882 -25.298 1.00 4.52 C ATOM 1480 O SER A 96 6.554 5.497 -26.460 1.00 71.40 O ATOM 1481 CB SER A 96 9.177 5.919 -25.053 1.00 71.25 C ATOM 1482 OG SER A 96 9.976 4.840 -25.508 1.00 35.24 O ATOM 0 H SER A 96 7.961 3.473 -25.230 1.00 73.01 H new ATOM 0 HA SER A 96 7.753 5.830 -23.446 1.00 21.13 H new ATOM 0 HB2 SER A 96 8.964 6.593 -25.883 1.00 71.25 H new ATOM 0 HB3 SER A 96 9.727 6.494 -24.309 1.00 71.25 H new ATOM 0 HG SER A 96 10.808 5.188 -25.892 1.00 35.24 H new ATOM 1488 N LEU A 97 5.835 6.715 -24.710 1.00 41.03 N ATOM 1489 CA LEU A 97 4.667 7.236 -25.412 1.00 62.25 C ATOM 1490 C LEU A 97 4.992 8.555 -26.105 1.00 52.42 C ATOM 1491 O LEU A 97 5.108 9.597 -25.459 1.00 14.15 O ATOM 1492 CB LEU A 97 3.506 7.431 -24.436 1.00 51.22 C ATOM 1493 CG LEU A 97 3.362 6.371 -23.344 1.00 34.01 C ATOM 1494 CD1 LEU A 97 2.103 6.615 -22.526 1.00 72.02 C ATOM 1495 CD2 LEU A 97 3.342 4.977 -23.953 1.00 60.33 C ATOM 0 H LEU A 97 5.931 7.044 -23.749 1.00 41.03 H new ATOM 0 HA LEU A 97 4.376 6.510 -26.172 1.00 62.25 H new ATOM 0 HB2 LEU A 97 3.619 8.404 -23.957 1.00 51.22 H new ATOM 0 HB3 LEU A 97 2.579 7.463 -25.008 1.00 51.22 H new ATOM 0 HG LEU A 97 4.223 6.443 -22.679 1.00 34.01 H new ATOM 0 HD11 LEU A 97 2.017 5.851 -21.754 1.00 72.02 H new ATOM 0 HD12 LEU A 97 2.157 7.598 -22.059 1.00 72.02 H new ATOM 0 HD13 LEU A 97 1.231 6.571 -23.178 1.00 72.02 H new ATOM 0 HD21 LEU A 97 3.239 4.235 -23.161 1.00 60.33 H new ATOM 0 HD22 LEU A 97 2.501 4.893 -24.641 1.00 60.33 H new ATOM 0 HD23 LEU A 97 4.272 4.803 -24.494 1.00 60.33 H new ATOM 1507 N THR A 98 5.136 8.505 -27.426 1.00 32.01 N ATOM 1508 CA THR A 98 5.446 9.696 -28.207 1.00 33.31 C ATOM 1509 C THR A 98 4.193 10.525 -28.466 1.00 20.20 C ATOM 1510 O THR A 98 3.095 9.984 -28.601 1.00 72.42 O ATOM 1511 CB THR A 98 6.093 9.330 -29.556 1.00 25.03 C ATOM 1512 OG1 THR A 98 5.119 8.739 -30.423 1.00 23.43 O ATOM 1513 CG2 THR A 98 7.253 8.366 -29.355 1.00 42.04 C ATOM 0 H THR A 98 5.043 7.652 -27.977 1.00 32.01 H new ATOM 0 HA THR A 98 6.153 10.284 -27.621 1.00 33.31 H new ATOM 0 HB THR A 98 6.475 10.244 -30.011 1.00 25.03 H new ATOM 0 HG1 THR A 98 5.538 8.511 -31.279 1.00 23.43 H new ATOM 0 HG21 THR A 98 7.695 8.122 -30.321 1.00 42.04 H new ATOM 0 HG22 THR A 98 8.006 8.831 -28.719 1.00 42.04 H new ATOM 0 HG23 THR A 98 6.890 7.454 -28.881 1.00 42.04 H new ATOM 1521 N LEU A 99 4.364 11.840 -28.535 1.00 12.42 N ATOM 1522 CA LEU A 99 3.246 12.745 -28.779 1.00 11.31 C ATOM 1523 C LEU A 99 2.452 12.311 -30.007 1.00 32.03 C ATOM 1524 O LEU A 99 2.990 12.229 -31.111 1.00 1.11 O ATOM 1525 CB LEU A 99 3.754 14.176 -28.966 1.00 12.12 C ATOM 1526 CG LEU A 99 2.889 15.280 -28.357 1.00 53.32 C ATOM 1527 CD1 LEU A 99 1.444 15.139 -28.812 1.00 24.41 C ATOM 1528 CD2 LEU A 99 2.977 15.251 -26.838 1.00 71.33 C ATOM 0 H LEU A 99 5.266 12.304 -28.426 1.00 12.42 H new ATOM 0 HA LEU A 99 2.587 12.710 -27.912 1.00 11.31 H new ATOM 0 HB2 LEU A 99 4.753 14.245 -28.535 1.00 12.12 H new ATOM 0 HB3 LEU A 99 3.854 14.368 -30.034 1.00 12.12 H new ATOM 0 HG LEU A 99 3.265 16.242 -28.704 1.00 53.32 H new ATOM 0 HD11 LEU A 99 0.844 15.933 -28.368 1.00 24.41 H new ATOM 0 HD12 LEU A 99 1.396 15.211 -29.899 1.00 24.41 H new ATOM 0 HD13 LEU A 99 1.056 14.171 -28.495 1.00 24.41 H new ATOM 0 HD21 LEU A 99 2.355 16.044 -26.422 1.00 71.33 H new ATOM 0 HD22 LEU A 99 2.628 14.286 -26.472 1.00 71.33 H new ATOM 0 HD23 LEU A 99 4.012 15.403 -26.531 1.00 71.33 H new