ATOM 314 N PHE B 1 -21.693 1.061 3.351 1.00 14.30 N ATOM 315 CA PHE B 1 -20.267 1.208 3.765 1.00 12.40 C ATOM 316 C PHE B 1 -20.136 1.054 5.267 1.00 12.79 C ATOM 317 O PHE B 1 -21.122 1.153 6.011 1.00 19.29 O ATOM 318 CB PHE B 1 -19.720 2.557 3.312 1.00 12.60 C ATOM 319 CG PHE B 1 -19.824 2.781 1.826 1.00 10.68 C ATOM 320 CD1 PHE B 1 -19.268 1.901 0.924 1.00 11.80 C ATOM 321 CD2 PHE B 1 -20.446 3.911 1.340 1.00 21.42 C ATOM 322 CE1 PHE B 1 -19.327 2.136 -0.428 1.00 10.95 C ATOM 323 CE2 PHE B 1 -20.514 4.162 -0.018 1.00 21.47 C ATOM 324 CZ PHE B 1 -19.952 3.264 -0.904 1.00 19.41 C ATOM 325 H1 PHE B 1 -22.232 1.850 3.740 1.00 13.07 H ATOM 326 H2 PHE B 1 -22.026 0.150 3.716 1.00 10.83 H ATOM 327 H3 PHE B 1 -21.747 1.067 2.307 1.00 14.16 H ATOM 328 HA PHE B 1 -19.672 0.438 3.305 1.00 7.85 H ATOM 329 HB2 PHE B 1 -20.354 3.251 3.869 1.00 11.18 H ATOM 330 HB3 PHE B 1 -18.737 2.587 3.688 1.00 9.56 H ATOM 331 HD1 PHE B 1 -18.789 1.028 1.312 1.00 13.99 H ATOM 332 HD2 PHE B 1 -20.872 4.589 2.046 1.00 17.78 H ATOM 333 HE1 PHE B 1 -18.881 1.428 -1.109 1.00 10.63 H ATOM 334 HE2 PHE B 1 -21.006 5.054 -0.367 1.00 16.63 H ATOM 335 HZ PHE B 1 -20.007 3.458 -1.965 1.00 14.05 H ATOM 336 N VAL B 2 -18.926 0.748 5.695 1.00 9.79 N ATOM 337 CA VAL B 2 -18.655 0.530 7.108 1.00 11.91 C ATOM 338 C VAL B 2 -17.732 1.587 7.635 1.00 8.57 C ATOM 339 O VAL B 2 -17.079 2.278 6.854 1.00 8.67 O ATOM 340 CB VAL B 2 -18.020 -0.863 7.343 1.00 13.55 C ATOM 341 CG1 VAL B 2 -19.005 -1.963 6.944 1.00 16.33 C ATOM 342 CG2 VAL B 2 -16.734 -0.993 6.582 1.00 13.86 C ATOM 343 H VAL B 2 -18.192 0.679 5.062 1.00 12.09 H ATOM 344 HA VAL B 2 -19.543 0.625 7.722 1.00 13.77 H ATOM 345 HB VAL B 2 -17.825 -1.057 8.399 1.00 14.23 H ATOM 346 HG11 VAL B 2 -19.370 -1.771 5.950 1.00 15.40 H ATOM 347 HG12 VAL B 2 -18.442 -2.889 6.972 1.00 13.89 H ATOM 348 HG13 VAL B 2 -19.827 -2.011 7.649 1.00 12.75 H ATOM 349 HG21 VAL B 2 -16.463 -2.034 6.511 1.00 12.99 H ATOM 350 HG22 VAL B 2 -16.912 -0.616 5.597 1.00 12.47 H ATOM 351 HG23 VAL B 2 -15.946 -0.452 7.091 1.00 12.40 H ATOM 352 N ASN B 3 -17.699 1.734 8.952 1.00 7.86 N ATOM 353 CA ASN B 3 -16.787 2.684 9.543 1.00 8.96 C ATOM 354 C ASN B 3 -15.377 2.122 9.495 1.00 8.28 C ATOM 355 O ASN B 3 -15.172 0.905 9.418 1.00 9.86 O ATOM 356 CB ASN B 3 -17.217 3.031 10.948 1.00 9.60 C ATOM 357 CG ASN B 3 -18.536 3.791 10.969 1.00 14.12 C ATOM 358 OD1 ASN B 3 -18.732 4.714 10.177 1.00 14.54 O ATOM 359 ND2 ASN B 3 -19.434 3.418 11.873 1.00 15.72 N ATOM 360 H ASN B 3 -18.306 1.185 9.502 1.00 11.76 H ATOM 361 HA ASN B 3 -16.737 3.578 8.950 1.00 6.54 H ATOM 362 HB2 ASN B 3 -17.252 2.116 11.479 1.00 6.91 H ATOM 363 HB3 ASN B 3 -16.430 3.655 11.371 1.00 8.93 H ATOM 364 HD21 ASN B 3 -19.128 2.683 12.449 1.00 13.23 H ATOM 365 HD22 ASN B 3 -20.317 3.845 11.915 1.00 14.86 H ATOM 366 N AGLN B 4 -14.350 2.962 9.495 0.50 12.14 N ATOM 367 N BGLN B 4 -14.462 3.069 9.677 0.50 5.92 N ATOM 368 CA AGLN B 4 -12.984 2.431 9.418 0.50 10.90 C ATOM 369 CA BGLN B 4 -13.039 2.896 9.501 0.50 9.61 C ATOM 370 C AGLN B 4 -12.065 3.156 10.380 0.50 10.82 C ATOM 371 C BGLN B 4 -12.109 3.242 10.633 0.50 5.90 C ATOM 372 O AGLN B 4 -12.255 4.291 10.701 0.50 10.44 O ATOM 373 O BGLN B 4 -12.368 4.191 11.342 0.50 6.57 O ATOM 374 CB AGLN B 4 -12.411 2.538 7.998 0.50 10.17 C ATOM 375 CB BGLN B 4 -12.607 3.794 8.326 0.50 9.68 C ATOM 376 CG AGLN B 4 -13.060 1.635 6.940 0.50 9.48 C ATOM 377 CG BGLN B 4 -13.531 3.795 7.152 0.50 8.39 C ATOM 378 CD AGLN B 4 -12.484 0.235 6.854 0.50 10.00 C ATOM 379 CD BGLN B 4 -13.390 2.519 6.405 0.50 9.93 C ATOM 380 OE1AGLN B 4 -12.891 -0.550 5.989 0.50 11.60 O ATOM 381 OE1BGLN B 4 -12.275 2.009 6.253 0.50 15.43 O ATOM 382 NE2AGLN B 4 -11.544 -0.096 7.727 0.50 11.30 N ATOM 383 NE2BGLN B 4 -14.495 1.985 5.922 0.50 7.75 N ATOM 384 H AGLN B 4 -14.511 3.911 9.629 0.50 11.40 H ATOM 385 H BGLN B 4 -14.648 4.051 9.738 0.50 11.38 H ATOM 386 HA AGLN B 4 -12.959 1.416 9.735 0.50 10.22 H ATOM 387 HA BGLN B 4 -12.818 1.911 9.185 0.50 5.93 H ATOM 388 HB2AGLN B 4 -12.565 3.578 7.701 0.50 9.57 H ATOM 389 HB2BGLN B 4 -12.310 4.770 8.632 0.50 12.06 H ATOM 390 HB3AGLN B 4 -11.344 2.358 8.034 0.50 9.96 H ATOM 391 HB3BGLN B 4 -11.703 3.291 8.020 0.50 10.09 H ATOM 392 HG2AGLN B 4 -14.111 1.509 7.143 0.50 11.20 H ATOM 393 HG2BGLN B 4 -14.542 3.891 7.472 0.50 9.76 H ATOM 394 HG3AGLN B 4 -12.950 2.087 5.975 0.50 12.70 H ATOM 395 HG3BGLN B 4 -13.244 4.591 6.499 0.50 11.68 H ATOM 396 HE21AGLN B 4 -11.196 -1.008 7.621 0.50 13.35 H ATOM 397 HE21BGLN B 4 -14.477 1.138 5.427 0.50 11.35 H ATOM 398 HE22AGLN B 4 -11.242 0.513 8.436 0.50 11.13 H ATOM 399 HE22BGLN B 4 -15.339 2.482 6.050 0.50 11.18 H ATOM 400 N HIS B 5 -11.008 2.468 10.765 1.00 8.58 N ATOM 401 CA HIS B 5 -9.965 2.880 11.706 1.00 7.09 C ATOM 402 C HIS B 5 -8.758 3.058 10.780 1.00 7.53 C ATOM 403 O HIS B 5 -8.206 2.080 10.282 1.00 8.24 O ATOM 404 CB HIS B 5 -9.728 1.766 12.698 1.00 8.70 C ATOM 405 CG HIS B 5 -8.719 2.116 13.731 1.00 8.34 C ATOM 406 ND1 HIS B 5 -8.115 1.170 14.529 1.00 11.61 N ATOM 407 CD2 HIS B 5 -8.211 3.306 14.116 1.00 8.00 C ATOM 408 CE1 HIS B 5 -7.276 1.762 15.360 1.00 13.35 C ATOM 409 NE2 HIS B 5 -7.317 3.064 15.135 1.00 11.13 N ATOM 410 H HIS B 5 -10.932 1.638 10.292 1.00 7.68 H ATOM 411 HA HIS B 5 -10.242 3.805 12.211 1.00 5.49 H ATOM 412 HB2 HIS B 5 -10.647 1.406 13.141 1.00 6.08 H ATOM 413 HB3 HIS B 5 -9.348 0.914 12.158 1.00 9.74 H ATOM 414 HD1 HIS B 5 -8.333 0.225 14.505 1.00 12.31 H ATOM 415 HD2 HIS B 5 -8.442 4.273 13.722 1.00 9.11 H ATOM 416 HE1 HIS B 5 -6.639 1.258 16.077 1.00 14.22 H ATOM 417 HE2 HIS B 5 -6.805 3.752 15.599 1.00 10.98 H ATOM 418 N LEU B 6 -8.374 4.314 10.565 1.00 6.85 N ATOM 419 CA LEU B 6 -7.337 4.637 9.583 1.00 6.80 C ATOM 420 C LEU B 6 -6.289 5.550 10.157 1.00 6.52 C ATOM 421 O LEU B 6 -6.591 6.706 10.528 1.00 8.28 O ATOM 422 CB LEU B 6 -7.975 5.339 8.371 1.00 6.86 C ATOM 423 CG LEU B 6 -9.076 4.553 7.682 1.00 8.02 C ATOM 424 CD1 LEU B 6 -9.922 5.508 6.832 1.00 8.94 C ATOM 425 CD2 LEU B 6 -8.476 3.438 6.842 1.00 9.09 C ATOM 426 H LEU B 6 -8.750 5.034 11.097 1.00 7.42 H ATOM 427 HA LEU B 6 -6.821 3.744 9.221 1.00 5.61 H ATOM 428 HB2 LEU B 6 -8.372 6.309 8.667 1.00 4.44 H ATOM 429 HB3 LEU B 6 -7.194 5.524 7.637 1.00 8.57 H ATOM 430 HG LEU B 6 -9.759 4.133 8.410 1.00 9.63 H ATOM 431 HD11 LEU B 6 -10.320 6.257 7.495 1.00 13.82 H ATOM 432 HD12 LEU B 6 -9.289 5.996 6.098 1.00 6.26 H ATOM 433 HD13 LEU B 6 -10.719 4.957 6.385 1.00 6.26 H ATOM 434 HD21 LEU B 6 -7.957 2.720 7.460 1.00 11.76 H ATOM 435 HD22 LEU B 6 -9.325 2.972 6.353 1.00 9.45 H ATOM 436 HD23 LEU B 6 -7.813 3.846 6.083 1.00 14.07 H ATOM 437 N CYS B 7 -5.053 5.058 10.201 1.00 7.52 N ATOM 438 CA CYS B 7 -3.926 5.818 10.676 1.00 9.08 C ATOM 439 C CYS B 7 -2.869 5.943 9.579 1.00 8.32 C ATOM 440 O CYS B 7 -2.787 5.129 8.666 1.00 9.23 O ATOM 441 CB CYS B 7 -3.268 5.132 11.871 1.00 10.34 C ATOM 442 SG CYS B 7 -4.288 4.967 13.369 1.00 11.15 S ATOM 443 H CYS B 7 -4.888 4.131 9.942 1.00 10.31 H ATOM 444 HA CYS B 7 -4.278 6.787 11.011 1.00 7.99 H ATOM 445 HB2 CYS B 7 -2.924 4.157 11.561 1.00 11.36 H ATOM 446 HB3 CYS B 7 -2.425 5.763 12.082 1.00 11.18 H ATOM 447 N GLY B 8 -2.079 7.001 9.670 1.00 9.02 N ATOM 448 CA GLY B 8 -0.987 7.176 8.741 1.00 10.36 C ATOM 449 C GLY B 8 -1.373 7.178 7.292 1.00 9.17 C ATOM 450 O GLY B 8 -2.369 7.796 6.893 1.00 8.50 O ATOM 451 H GLY B 8 -2.225 7.727 10.304 1.00 7.00 H ATOM 452 HA2 GLY B 8 -0.546 8.131 8.950 1.00 12.63 H ATOM 453 HA3 GLY B 8 -0.291 6.368 8.927 1.00 12.81 H ATOM 454 N SER B 9 -0.585 6.472 6.490 1.00 8.74 N ATOM 455 CA SER B 9 -0.817 6.474 5.080 1.00 7.16 C ATOM 456 C SER B 9 -2.113 5.791 4.724 1.00 6.04 C ATOM 457 O SER B 9 -2.614 5.985 3.625 1.00 7.20 O ATOM 458 CB SER B 9 0.346 5.813 4.336 1.00 8.06 C ATOM 459 OG SER B 9 0.577 4.511 4.818 1.00 10.68 O ATOM 460 H SER B 9 0.077 5.865 6.831 1.00 9.98 H ATOM 461 HA SER B 9 -0.874 7.499 4.730 1.00 8.79 H ATOM 462 HB2 SER B 9 0.147 5.723 3.287 1.00 7.46 H ATOM 463 HB3 SER B 9 1.251 6.381 4.504 1.00 10.46 H ATOM 464 HG SER B 9 0.975 4.548 5.694 1.00 11.69 H ATOM 465 N HIS B 10 -2.682 4.979 5.617 1.00 6.13 N ATOM 466 CA HIS B 10 -3.937 4.319 5.275 1.00 5.81 C ATOM 467 C HIS B 10 -5.053 5.333 5.108 1.00 6.96 C ATOM 468 O HIS B 10 -5.987 5.107 4.337 1.00 6.78 O ATOM 469 CB HIS B 10 -4.279 3.296 6.353 1.00 6.79 C ATOM 470 CG HIS B 10 -3.234 2.230 6.496 1.00 5.90 C ATOM 471 ND1 HIS B 10 -3.012 1.275 5.529 1.00 7.56 N ATOM 472 CD2 HIS B 10 -2.320 1.988 7.472 1.00 6.14 C ATOM 473 CE1 HIS B 10 -2.010 0.491 5.920 1.00 7.89 C ATOM 474 NE2 HIS B 10 -1.577 0.892 7.097 1.00 5.78 N ATOM 475 H HIS B 10 -2.236 4.863 6.471 1.00 5.16 H ATOM 476 HA HIS B 10 -3.854 3.784 4.328 1.00 4.73 H ATOM 477 HB2 HIS B 10 -4.205 3.811 7.253 1.00 1.06 H ATOM 478 HB3 HIS B 10 -5.213 2.823 6.148 1.00 4.92 H ATOM 479 HD1 HIS B 10 -3.501 1.181 4.686 1.00 11.88 H ATOM 480 HD2 HIS B 10 -2.211 2.561 8.373 1.00 3.00 H ATOM 481 HE1 HIS B 10 -1.680 -0.327 5.289 1.00 11.92 H ATOM 482 N LEU B 11 -4.975 6.446 5.835 1.00 5.68 N ATOM 483 CA LEU B 11 -5.994 7.451 5.662 1.00 5.97 C ATOM 484 C LEU B 11 -5.910 8.087 4.284 1.00 5.07 C ATOM 485 O LEU B 11 -6.923 8.346 3.654 1.00 5.56 O ATOM 486 CB LEU B 11 -5.867 8.525 6.727 1.00 7.58 C ATOM 487 CG LEU B 11 -6.905 9.648 6.541 1.00 10.59 C ATOM 488 CD1 LEU B 11 -8.359 9.107 6.435 1.00 10.40 C ATOM 489 CD2 LEU B 11 -6.792 10.573 7.648 1.00 11.87 C ATOM 490 H LEU B 11 -4.279 6.545 6.494 1.00 3.46 H ATOM 491 HA LEU B 11 -6.922 6.954 5.782 1.00 5.20 H ATOM 492 HB2 LEU B 11 -6.033 8.013 7.664 1.00 11.68 H ATOM 493 HB3 LEU B 11 -4.906 8.925 6.729 1.00 6.29 H ATOM 494 HG LEU B 11 -6.703 10.208 5.630 1.00 9.36 H ATOM 495 HD11 LEU B 11 -8.552 8.902 5.402 1.00 11.53 H ATOM 496 HD12 LEU B 11 -8.497 8.220 7.019 1.00 10.48 H ATOM 497 HD13 LEU B 11 -9.067 9.843 6.762 1.00 12.25 H ATOM 498 HD21 LEU B 11 -7.677 11.194 7.648 1.00 11.25 H ATOM 499 HD22 LEU B 11 -6.812 10.011 8.567 1.00 11.72 H ATOM 500 HD23 LEU B 11 -5.931 11.193 7.532 1.00 10.84 H ATOM 501 N AVAL B 12 -4.683 8.307 3.824 0.60 9.46 N ATOM 502 N BVAL B 12 -4.695 8.394 3.790 0.40 2.23 N ATOM 503 CA AVAL B 12 -4.432 8.878 2.510 0.60 7.22 C ATOM 504 CA BVAL B 12 -4.648 8.991 2.441 0.40 3.15 C ATOM 505 C AVAL B 12 -4.986 7.971 1.402 0.60 7.37 C ATOM 506 C BVAL B 12 -5.050 7.964 1.349 0.40 3.43 C ATOM 507 O AVAL B 12 -5.585 8.438 0.435 0.60 5.27 O ATOM 508 O BVAL B 12 -5.590 8.351 0.312 0.30 5.14 O ATOM 509 CB AVAL B 12 -2.928 9.068 2.337 0.60 7.32 C ATOM 510 CB BVAL B 12 -3.296 9.676 2.097 0.40 6.33 C ATOM 511 CG1AVAL B 12 -2.623 9.456 0.917 0.60 7.16 C ATOM 512 CG1BVAL B 12 -2.982 10.760 3.094 0.40 9.72 C ATOM 513 CG2AVAL B 12 -2.433 10.143 3.327 0.60 9.45 C ATOM 514 CG2BVAL B 12 -2.183 8.643 2.050 0.40 11.23 C ATOM 515 H AVAL B 12 -3.921 8.121 4.410 0.60 7.68 H ATOM 516 H BVAL B 12 -3.930 8.170 4.330 0.40 7.69 H ATOM 517 HA AVAL B 12 -4.917 9.830 2.400 0.60 2.97 H ATOM 518 HA BVAL B 12 -5.429 9.724 2.375 0.40 6.04 H ATOM 519 HB AVAL B 12 -2.391 8.152 2.533 0.60 12.05 H ATOM 520 HB BVAL B 12 -3.404 10.107 1.118 0.40 9.62 H ATOM 521 HG11AVAL B 12 -2.707 8.558 0.324 0.60 12.04 H ATOM 522 HG11BVAL B 12 -3.171 10.412 4.108 0.40 8.56 H ATOM 523 HG12AVAL B 12 -3.341 10.189 0.587 0.60 11.53 H ATOM 524 HG12BVAL B 12 -1.927 10.972 2.997 0.40 9.14 H ATOM 525 HG13AVAL B 12 -1.616 9.834 0.835 0.60 11.94 H ATOM 526 HG13BVAL B 12 -3.571 11.616 2.885 0.40 7.82 H ATOM 527 HG21AVAL B 12 -3.154 10.951 3.304 0.60 10.28 H ATOM 528 HG21BVAL B 12 -1.315 9.081 1.571 0.40 10.74 H ATOM 529 HG22AVAL B 12 -2.334 9.732 4.311 0.60 10.69 H ATOM 530 HG22BVAL B 12 -1.940 8.365 3.060 0.40 10.10 H ATOM 531 HG23AVAL B 12 -1.488 10.524 2.991 0.60 10.88 H ATOM 532 HG23BVAL B 12 -2.484 7.767 1.503 0.40 8.95 H ATOM 533 N GLU B 13 -4.786 6.674 1.557 1.00 5.83 N ATOM 534 CA GLU B 13 -5.324 5.699 0.608 1.00 6.54 C ATOM 535 C GLU B 13 -6.843 5.767 0.576 1.00 6.14 C ATOM 536 O GLU B 13 -7.446 5.684 -0.500 1.00 7.73 O ATOM 537 CB GLU B 13 -4.913 4.288 0.988 1.00 9.22 C ATOM 538 CG GLU B 13 -3.440 3.974 0.788 1.00 10.91 C ATOM 539 CD GLU B 13 -3.078 3.712 -0.659 1.00 11.43 C ATOM 540 OE1 GLU B 13 -3.984 3.443 -1.474 1.00 14.40 O ATOM 541 OE2 GLU B 13 -1.856 3.752 -0.981 1.00 12.13 O ATOM 542 H GLU B 13 -4.226 6.395 2.319 1.00 11.25 H ATOM 543 HA GLU B 13 -4.944 5.927 -0.358 1.00 1.04 H ATOM 544 HB2 GLU B 13 -5.190 4.163 2.032 1.00 10.61 H ATOM 545 HB3 GLU B 13 -5.512 3.573 0.443 1.00 8.09 H ATOM 546 HG2 GLU B 13 -2.884 4.856 1.050 1.00 1.04 H ATOM 547 HG3 GLU B 13 -3.110 3.134 1.373 1.00 13.17 H ATOM 548 N ALA B 14 -7.469 5.878 1.747 1.00 5.53 N ATOM 549 CA ALA B 14 -8.932 5.961 1.792 1.00 5.84 C ATOM 550 C ALA B 14 -9.440 7.241 1.126 1.00 6.04 C ATOM 551 O ALA B 14 -10.434 7.205 0.390 1.00 6.63 O ATOM 552 CB ALA B 14 -9.416 5.889 3.239 1.00 6.51 C ATOM 553 H ALA B 14 -6.942 5.966 2.566 1.00 7.22 H ATOM 554 HA ALA B 14 -9.365 5.141 1.245 1.00 5.64 H ATOM 555 HB1 ALA B 14 -8.961 5.021 3.690 1.00 11.87 H ATOM 556 HB2 ALA B 14 -9.172 6.790 3.774 1.00 7.44 H ATOM 557 HB3 ALA B 14 -10.487 5.730 3.203 1.00 8.43 H ATOM 558 N LEU B 15 -8.806 8.364 1.414 1.00 5.52 N ATOM 559 CA LEU B 15 -9.209 9.611 0.744 1.00 5.74 C ATOM 560 C LEU B 15 -9.086 9.490 -0.765 1.00 5.22 C ATOM 561 O LEU B 15 -9.938 9.963 -1.518 1.00 6.36 O ATOM 562 CB LEU B 15 -8.345 10.775 1.239 1.00 5.68 C ATOM 563 CG LEU B 15 -8.730 11.265 2.636 1.00 6.69 C ATOM 564 CD1 LEU B 15 -7.587 12.054 3.223 1.00 10.35 C ATOM 565 CD2 LEU B 15 -10.008 12.100 2.583 1.00 8.03 C ATOM 566 H LEU B 15 -8.125 8.361 2.120 1.00 10.22 H ATOM 567 HA LEU B 15 -10.231 9.811 0.979 1.00 3.13 H ATOM 568 HB2 LEU B 15 -7.264 10.569 1.191 1.00 1.05 H ATOM 569 HB3 LEU B 15 -8.552 11.597 0.558 1.00 6.68 H ATOM 570 HG LEU B 15 -8.911 10.400 3.223 1.00 11.91 H ATOM 571 HD11 LEU B 15 -6.682 11.500 3.327 1.00 11.10 H ATOM 572 HD12 LEU B 15 -7.436 12.921 2.616 1.00 10.98 H ATOM 573 HD13 LEU B 15 -7.925 12.363 4.211 1.00 10.08 H ATOM 574 HD21 LEU B 15 -9.747 13.007 2.061 1.00 8.14 H ATOM 575 HD22 LEU B 15 -10.782 11.592 2.021 1.00 9.37 H ATOM 576 HD23 LEU B 15 -10.297 12.365 3.595 1.00 8.18 H ATOM 577 N TYR B 16 -8.023 8.862 -1.216 1.00 5.91 N ATOM 578 CA TYR B 16 -7.825 8.700 -2.640 1.00 7.03 C ATOM 579 C TYR B 16 -8.985 7.945 -3.282 1.00 6.96 C ATOM 580 O TYR B 16 -9.509 8.338 -4.338 1.00 7.24 O ATOM 581 CB TYR B 16 -6.494 7.984 -2.886 1.00 6.85 C ATOM 582 CG TYR B 16 -6.231 7.683 -4.344 1.00 8.42 C ATOM 583 CD1 TYR B 16 -5.795 8.663 -5.216 1.00 10.03 C ATOM 584 CD2 TYR B 16 -6.512 6.436 -4.851 1.00 12.10 C ATOM 585 CE1 TYR B 16 -5.672 8.411 -6.575 1.00 14.45 C ATOM 586 CE2 TYR B 16 -6.373 6.167 -6.196 1.00 16.39 C ATOM 587 CZ TYR B 16 -5.962 7.155 -7.040 1.00 11.86 C ATOM 588 OH TYR B 16 -5.835 6.887 -8.400 1.00 17.57 O ATOM 589 H TYR B 16 -7.368 8.515 -0.574 1.00 10.45 H ATOM 590 HA TYR B 16 -7.753 9.695 -3.048 1.00 7.59 H ATOM 591 HB2 TYR B 16 -5.739 8.597 -2.458 1.00 3.38 H ATOM 592 HB3 TYR B 16 -6.534 7.060 -2.327 1.00 8.15 H ATOM 593 HD1 TYR B 16 -5.565 9.647 -4.849 1.00 11.25 H ATOM 594 HD2 TYR B 16 -6.829 5.671 -4.178 1.00 10.50 H ATOM 595 HE1 TYR B 16 -5.321 9.229 -7.207 1.00 9.80 H ATOM 596 HE2 TYR B 16 -6.592 5.199 -6.588 1.00 12.35 H ATOM 597 HH TYR B 16 -5.642 7.772 -8.735 1.00 10.10 H ATOM 598 N ALEU B 17 -9.396 6.862 -2.647 0.60 5.81 N ATOM 599 N BLEU B 17 -9.389 6.857 -2.634 0.40 5.66 N ATOM 600 CA ALEU B 17 -10.509 6.081 -3.161 0.60 6.47 C ATOM 601 CA BLEU B 17 -10.493 6.045 -3.127 0.40 7.21 C ATOM 602 C ALEU B 17 -11.842 6.788 -3.066 0.60 7.52 C ATOM 603 C BLEU B 17 -11.836 6.749 -3.051 0.40 8.24 C ATOM 604 O ALEU B 17 -12.631 6.745 -4.005 0.60 9.08 O ATOM 605 O BLEU B 17 -12.623 6.659 -3.991 0.40 10.35 O ATOM 606 CB ALEU B 17 -10.586 4.763 -2.411 0.60 7.60 C ATOM 607 CB BLEU B 17 -10.589 4.726 -2.351 0.40 8.47 C ATOM 608 CG ALEU B 17 -9.435 3.812 -2.698 0.60 10.23 C ATOM 609 CG BLEU B 17 -11.731 3.810 -2.824 0.40 12.59 C ATOM 610 CD1ALEU B 17 -9.578 2.601 -1.812 0.60 13.61 C ATOM 611 CD1BLEU B 17 -11.436 3.341 -4.224 0.40 9.12 C ATOM 612 CD2ALEU B 17 -9.452 3.378 -4.163 0.60 11.36 C ATOM 613 CD2BLEU B 17 -11.899 2.605 -1.940 0.40 18.38 C ATOM 614 H ALEU B 17 -8.962 6.540 -1.826 0.60 6.18 H ATOM 615 H BLEU B 17 -8.956 6.547 -1.807 0.40 6.21 H ATOM 616 HA ALEU B 17 -10.374 5.853 -4.203 0.60 8.90 H ATOM 617 HA BLEU B 17 -10.310 5.801 -4.157 0.40 9.02 H ATOM 618 HB2ALEU B 17 -10.607 4.940 -1.349 0.60 8.67 H ATOM 619 HB2BLEU B 17 -9.659 4.194 -2.447 0.40 9.32 H ATOM 620 HB3ALEU B 17 -11.497 4.227 -2.658 0.60 9.58 H ATOM 621 HB3BLEU B 17 -10.763 4.946 -1.316 0.40 9.14 H ATOM 622 HG ALEU B 17 -8.503 4.296 -2.485 0.60 11.51 H ATOM 623 HG BLEU B 17 -12.653 4.371 -2.813 0.40 13.04 H ATOM 624 HD11ALEU B 17 -9.580 2.903 -0.774 0.60 12.43 H ATOM 625 HD11BLEU B 17 -11.643 4.147 -4.918 0.40 13.68 H ATOM 626 HD12ALEU B 17 -10.490 2.090 -2.068 0.60 14.32 H ATOM 627 HD12BLEU B 17 -10.397 3.057 -4.335 0.40 13.85 H ATOM 628 HD13ALEU B 17 -8.718 1.966 -1.992 0.60 11.93 H ATOM 629 HD13BLEU B 17 -12.055 2.508 -4.511 0.40 13.52 H ATOM 630 HD21ALEU B 17 -10.418 3.595 -4.599 0.60 12.53 H ATOM 631 HD21BLEU B 17 -11.044 2.403 -1.319 0.40 13.75 H ATOM 632 HD22ALEU B 17 -8.676 3.895 -4.695 0.60 13.06 H ATOM 633 HD22BLEU B 17 -12.791 2.839 -1.412 0.40 13.17 H ATOM 634 HD23ALEU B 17 -9.279 2.315 -4.227 0.60 16.72 H ATOM 635 HD23BLEU B 17 -12.177 1.733 -2.513 0.40 14.15 H ATOM 636 N VAL B 18 -12.116 7.429 -1.944 1.00 6.31 N ATOM 637 CA VAL B 18 -13.381 8.092 -1.814 1.00 6.97 C ATOM 638 C VAL B 18 -13.537 9.243 -2.793 1.00 7.55 C ATOM 639 O VAL B 18 -14.608 9.423 -3.399 1.00 9.89 O ATOM 640 CB VAL B 18 -13.523 8.630 -0.390 1.00 8.27 C ATOM 641 CG1 VAL B 18 -14.675 9.622 -0.308 1.00 10.26 C ATOM 642 CG2 VAL B 18 -13.748 7.477 0.539 1.00 7.80 C ATOM 643 H VAL B 18 -11.431 7.466 -1.271 1.00 5.80 H ATOM 644 HA VAL B 18 -14.188 7.413 -1.994 1.00 11.62 H ATOM 645 HB VAL B 18 -12.624 9.137 -0.090 1.00 8.25 H ATOM 646 HG11 VAL B 18 -14.395 10.585 -0.710 1.00 12.24 H ATOM 647 HG12 VAL B 18 -15.501 9.236 -0.865 1.00 10.71 H ATOM 648 HG13 VAL B 18 -14.943 9.744 0.734 1.00 10.60 H ATOM 649 HG21 VAL B 18 -14.706 7.012 0.355 1.00 8.44 H ATOM 650 HG22 VAL B 18 -12.941 6.785 0.530 1.00 7.57 H ATOM 651 HG23 VAL B 18 -13.792 7.916 1.511 1.00 7.71 H ATOM 652 N CYS B 19 -12.478 10.030 -2.972 1.00 7.32 N ATOM 653 CA CYS B 19 -12.566 11.243 -3.760 1.00 7.54 C ATOM 654 C CYS B 19 -12.346 11.085 -5.244 1.00 9.91 C ATOM 655 O CYS B 19 -12.850 11.893 -6.042 1.00 10.27 O ATOM 656 CB CYS B 19 -11.584 12.243 -3.211 1.00 7.69 C ATOM 657 SG CYS B 19 -11.960 12.696 -1.475 1.00 7.11 S ATOM 658 H CYS B 19 -11.599 9.698 -2.715 1.00 11.48 H ATOM 659 HA CYS B 19 -13.534 11.703 -3.639 1.00 8.97 H ATOM 660 HB2 CYS B 19 -10.583 11.978 -3.365 1.00 1.04 H ATOM 661 HB3 CYS B 19 -11.750 13.129 -3.798 1.00 8.68 H ATOM 662 N GLY B 20 -11.610 10.066 -5.627 1.00 10.27 N ATOM 663 CA GLY B 20 -11.372 9.869 -7.043 1.00 11.25 C ATOM 664 C GLY B 20 -10.796 11.084 -7.743 1.00 13.02 C ATOM 665 O GLY B 20 -9.951 11.809 -7.209 1.00 14.36 O ATOM 666 H GLY B 20 -11.215 9.455 -4.958 1.00 11.22 H ATOM 667 HA2 GLY B 20 -10.588 9.141 -7.128 1.00 10.90 H ATOM 668 HA3 GLY B 20 -12.279 9.577 -7.543 1.00 11.51 H ATOM 669 N GLU B 21 -11.325 11.357 -8.933 1.00 13.90 N ATOM 670 CA GLU B 21 -10.834 12.463 -9.735 1.00 14.26 C ATOM 671 C GLU B 21 -11.055 13.823 -9.109 1.00 10.57 C ATOM 672 O GLU B 21 -10.469 14.823 -9.557 1.00 12.19 O ATOM 673 CB GLU B 21 -11.433 12.424 -11.137 1.00 17.04 C ATOM 674 CG GLU B 21 -12.919 12.599 -11.173 1.00 18.30 C ATOM 675 CD GLU B 21 -13.432 13.106 -12.522 1.00 23.14 C ATOM 676 OE1 GLU B 21 -12.616 13.576 -13.339 1.00 35.17 O ATOM 677 OE2 GLU B 21 -14.658 13.053 -12.755 1.00 19.20 O ATOM 678 H GLU B 21 -12.128 10.889 -9.197 1.00 7.96 H ATOM 679 HA GLU B 21 -9.771 12.299 -9.841 1.00 9.41 H ATOM 680 HB2 GLU B 21 -10.918 13.221 -11.659 1.00 14.41 H ATOM 681 HB3 GLU B 21 -11.136 11.478 -11.556 1.00 11.94 H ATOM 682 HG2 GLU B 21 -13.310 11.591 -11.064 1.00 16.66 H ATOM 683 HG3 GLU B 21 -13.327 13.207 -10.378 1.00 12.67 H ATOM 684 N ARG B 22 -11.867 13.898 -8.069 1.00 9.27 N ATOM 685 CA ARG B 22 -12.066 15.161 -7.403 1.00 10.67 C ATOM 686 C ARG B 22 -10.785 15.575 -6.672 1.00 11.46 C ATOM 687 O ARG B 22 -10.513 16.769 -6.489 1.00 16.51 O ATOM 688 CB ARG B 22 -13.161 15.035 -6.352 1.00 11.46 C ATOM 689 CG ARG B 22 -14.556 14.781 -6.931 1.00 16.00 C ATOM 690 CD ARG B 22 -15.609 14.609 -5.849 1.00 14.46 C ATOM 691 NE ARG B 22 -15.535 13.304 -5.196 1.00 20.65 N ATOM 692 CZ ARG B 22 -16.402 12.896 -4.269 1.00 17.86 C ATOM 693 NH1 ARG B 22 -17.391 13.691 -3.881 1.00 22.22 N ATOM 694 NH2 ARG B 22 -16.303 11.685 -3.742 1.00 23.60 N ATOM 695 H ARG B 22 -12.347 13.110 -7.775 1.00 12.98 H ATOM 696 HA ARG B 22 -12.350 15.926 -8.101 1.00 11.69 H ATOM 697 HB2 ARG B 22 -12.916 14.231 -5.671 1.00 11.57 H ATOM 698 HB3 ARG B 22 -13.170 15.982 -5.830 1.00 10.57 H ATOM 699 HG2 ARG B 22 -14.880 15.566 -7.619 1.00 13.81 H ATOM 700 HG3 ARG B 22 -14.508 13.855 -7.486 1.00 10.95 H ATOM 701 HD2 ARG B 22 -15.614 15.428 -5.171 1.00 5.80 H ATOM 702 HD3 ARG B 22 -16.575 14.655 -6.361 1.00 15.87 H ATOM 703 HE ARG B 22 -14.824 12.679 -5.464 1.00 13.02 H ATOM 704 HH11 ARG B 22 -17.530 14.616 -4.259 1.00 13.95 H ATOM 705 HH12 ARG B 22 -18.021 13.335 -3.188 1.00 14.70 H ATOM 706 HH21 ARG B 22 -15.570 11.059 -4.035 1.00 14.27 H ATOM 707 HH22 ARG B 22 -16.970 11.417 -3.049 1.00 15.56 H ATOM 708 N GLY B 23 -9.997 14.600 -6.253 1.00 8.89 N ATOM 709 CA GLY B 23 -8.840 14.924 -5.443 1.00 10.94 C ATOM 710 C GLY B 23 -9.268 15.272 -4.018 1.00 7.28 C ATOM 711 O GLY B 23 -10.453 15.227 -3.679 1.00 7.55 O ATOM 712 H GLY B 23 -10.030 13.672 -6.550 1.00 3.64 H ATOM 713 HA2 GLY B 23 -8.246 14.061 -5.434 1.00 7.21 H ATOM 714 HA3 GLY B 23 -8.401 15.789 -5.907 1.00 7.61 H ATOM 715 N PHE B 24 -8.302 15.643 -3.181 1.00 6.94 N ATOM 716 CA PHE B 24 -8.618 15.907 -1.790 1.00 5.92 C ATOM 717 C PHE B 24 -7.481 16.690 -1.173 1.00 5.82 C ATOM 718 O PHE B 24 -6.388 16.841 -1.750 1.00 6.40 O ATOM 719 CB PHE B 24 -8.766 14.554 -1.030 1.00 6.30 C ATOM 720 CG PHE B 24 -7.544 13.682 -1.039 1.00 5.54 C ATOM 721 CD1 PHE B 24 -6.593 13.788 -0.054 1.00 6.55 C ATOM 722 CD2 PHE B 24 -7.371 12.733 -2.033 1.00 6.33 C ATOM 723 CE1 PHE B 24 -5.504 12.969 -0.042 1.00 7.18 C ATOM 724 CE2 PHE B 24 -6.267 11.903 -2.034 1.00 6.65 C ATOM 725 CZ PHE B 24 -5.336 12.015 -1.036 1.00 7.32 C ATOM 726 H PHE B 24 -7.382 15.788 -3.497 1.00 6.01 H ATOM 727 HA PHE B 24 -9.528 16.452 -1.695 1.00 2.78 H ATOM 728 HB2 PHE B 24 -9.125 14.830 -0.070 1.00 4.11 H ATOM 729 HB3 PHE B 24 -9.581 14.104 -1.557 1.00 6.28 H ATOM 730 HD1 PHE B 24 -6.646 14.504 0.763 1.00 5.06 H ATOM 731 HD2 PHE B 24 -8.083 12.636 -2.810 1.00 2.37 H ATOM 732 HE1 PHE B 24 -4.771 13.074 0.742 1.00 8.03 H ATOM 733 HE2 PHE B 24 -6.119 11.154 -2.794 1.00 7.83 H ATOM 734 HZ PHE B 24 -4.466 11.405 -0.984 1.00 4.91 H ATOM 735 N PHE B 25 -7.737 17.150 0.052 1.00 6.13 N ATOM 736 CA PHE B 25 -6.740 17.794 0.875 1.00 7.10 C ATOM 737 C PHE B 25 -6.519 16.901 2.122 1.00 6.51 C ATOM 738 O PHE B 25 -7.486 16.390 2.725 1.00 8.01 O ATOM 739 CB PHE B 25 -7.175 19.199 1.383 1.00 11.42 C ATOM 740 CG PHE B 25 -6.856 20.337 0.458 1.00 22.50 C ATOM 741 CD1 PHE B 25 -7.455 20.435 -0.780 1.00 25.45 C ATOM 742 CD2 PHE B 25 -5.953 21.323 0.842 1.00 27.66 C ATOM 743 CE1 PHE B 25 -7.168 21.492 -1.630 1.00 17.73 C ATOM 744 CE2 PHE B 25 -5.658 22.380 0.005 1.00 25.22 C ATOM 745 CZ PHE B 25 -6.269 22.469 -1.240 1.00 20.14 C ATOM 746 H PHE B 25 -8.627 17.054 0.460 1.00 9.56 H ATOM 747 HA PHE B 25 -5.819 17.845 0.347 1.00 3.97 H ATOM 748 HB2 PHE B 25 -8.195 19.161 1.698 1.00 6.75 H ATOM 749 HB3 PHE B 25 -6.623 19.313 2.304 1.00 12.43 H ATOM 750 HD1 PHE B 25 -8.145 19.662 -1.048 1.00 13.77 H ATOM 751 HD2 PHE B 25 -5.459 21.283 1.808 1.00 14.05 H ATOM 752 HE1 PHE B 25 -7.660 21.524 -2.585 1.00 14.08 H ATOM 753 HE2 PHE B 25 -4.943 23.119 0.359 1.00 14.22 H ATOM 754 HZ PHE B 25 -6.046 23.288 -1.901 1.00 14.24 H ATOM 755 N TYR B 26 -5.247 16.720 2.458 1.00 6.44 N ATOM 756 CA TYR B 26 -4.812 15.974 3.640 1.00 6.98 C ATOM 757 C TYR B 26 -4.254 17.011 4.607 1.00 6.83 C ATOM 758 O TYR B 26 -3.209 17.623 4.357 1.00 7.67 O ATOM 759 CB TYR B 26 -3.745 14.975 3.270 1.00 6.84 C ATOM 760 CG TYR B 26 -3.194 14.225 4.457 1.00 6.84 C ATOM 761 CD1 TYR B 26 -3.979 13.309 5.154 1.00 10.03 C ATOM 762 CD2 TYR B 26 -1.898 14.429 4.860 1.00 8.01 C ATOM 763 CE1 TYR B 26 -3.478 12.598 6.228 1.00 10.37 C ATOM 764 CE2 TYR B 26 -1.376 13.741 5.952 1.00 8.58 C ATOM 765 CZ TYR B 26 -2.187 12.819 6.628 1.00 10.22 C ATOM 766 OH TYR B 26 -1.675 12.151 7.735 1.00 12.33 O ATOM 767 H TYR B 26 -4.535 17.091 1.910 1.00 8.38 H ATOM 768 HA TYR B 26 -5.666 15.481 4.052 1.00 7.89 H ATOM 769 HB2 TYR B 26 -4.108 14.302 2.558 1.00 4.93 H ATOM 770 HB3 TYR B 26 -2.936 15.520 2.836 1.00 4.50 H ATOM 771 HD1 TYR B 26 -5.002 13.128 4.853 1.00 11.61 H ATOM 772 HD2 TYR B 26 -1.280 15.130 4.350 1.00 5.40 H ATOM 773 HE1 TYR B 26 -4.114 11.902 6.737 1.00 11.35 H ATOM 774 HE2 TYR B 26 -0.365 13.925 6.251 1.00 1.56 H ATOM 775 HH TYR B 26 -2.245 11.430 7.992 1.00 10.75 H ATOM 776 N THR B 27 -4.941 17.190 5.745 1.00 7.20 N ATOM 777 CA THR B 27 -4.536 18.216 6.670 1.00 8.78 C ATOM 778 C THR B 27 -4.527 17.776 8.121 1.00 8.31 C ATOM 779 O THR B 27 -5.507 17.922 8.861 1.00 8.72 O ATOM 780 CB THR B 27 -5.396 19.484 6.506 1.00 11.77 C ATOM 781 OG1 THR B 27 -5.289 19.922 5.130 1.00 16.32 O ATOM 782 CG2 THR B 27 -4.854 20.602 7.383 1.00 15.12 C ATOM 783 H THR B 27 -5.713 16.624 5.973 1.00 7.48 H ATOM 784 HA THR B 27 -3.534 18.518 6.425 1.00 6.42 H ATOM 785 HB THR B 27 -6.413 19.283 6.716 1.00 6.12 H ATOM 786 HG1 THR B 27 -4.364 20.113 4.981 1.00 8.24 H ATOM 787 HG21 THR B 27 -3.777 20.497 7.421 1.00 10.61 H ATOM 788 HG22 THR B 27 -5.093 21.532 6.885 1.00 11.75 H ATOM 789 HG23 THR B 27 -5.273 20.532 8.378 1.00 14.52 H ATOM 790 N PRO B 28 -3.409 17.224 8.533 1.00 8.33 N ATOM 791 CA PRO B 28 -3.257 16.783 9.916 1.00 8.95 C ATOM 792 C PRO B 28 -3.126 17.990 10.819 1.00 8.92 C ATOM 793 O PRO B 28 -2.774 19.101 10.364 1.00 9.49 O ATOM 794 CB PRO B 28 -1.923 16.041 9.922 1.00 11.98 C ATOM 795 CG PRO B 28 -1.659 15.704 8.507 1.00 17.73 C ATOM 796 CD PRO B 28 -2.239 16.838 7.727 1.00 11.20 C ATOM 797 HA PRO B 28 -4.061 16.119 10.174 1.00 9.63 H ATOM 798 HB2 PRO B 28 -1.144 16.689 10.242 1.00 8.03 H ATOM 799 HB3 PRO B 28 -1.964 15.139 10.513 1.00 14.72 H ATOM 800 HG2 PRO B 28 -0.611 15.548 8.300 1.00 15.68 H ATOM 801 HG3 PRO B 28 -2.222 14.817 8.305 1.00 14.35 H ATOM 802 HD2 PRO B 28 -1.552 17.700 7.745 1.00 5.14 H ATOM 803 HD3 PRO B 28 -2.523 16.569 6.727 1.00 12.13 H ATOM 804 N LYS B 29 -3.377 17.771 12.110 1.00 9.43 N ATOM 805 CA LYS B 29 -3.141 18.819 13.108 1.00 11.86 C ATOM 806 C LYS B 29 -1.638 18.958 13.247 1.00 14.49 C ATOM 807 O LYS B 29 -0.901 17.975 13.106 1.00 14.19 O ATOM 808 CB LYS B 29 -3.670 18.434 14.493 1.00 13.26 C ATOM 809 CG LYS B 29 -5.079 18.844 14.740 1.00 17.04 C ATOM 810 CD LYS B 29 -5.577 18.358 16.099 1.00 18.70 C ATOM 811 CE LYS B 29 -4.712 18.816 17.256 1.00 23.54 C ATOM 812 NZ LYS B 29 -4.442 20.279 17.291 1.00 33.16 N ATOM 813 H LYS B 29 -3.811 16.934 12.365 1.00 5.40 H ATOM 814 HA LYS B 29 -3.664 19.673 12.714 1.00 7.52 H ATOM 815 HB2 LYS B 29 -3.528 17.402 14.771 1.00 14.73 H ATOM 816 HB3 LYS B 29 -3.065 19.017 15.166 1.00 13.58 H ATOM 817 HG2 LYS B 29 -5.117 19.933 14.777 1.00 13.75 H ATOM 818 HG3 LYS B 29 -5.746 18.468 13.975 1.00 12.82 H ATOM 819 HD2 LYS B 29 -6.583 18.769 16.267 1.00 9.40 H ATOM 820 HD3 LYS B 29 -5.644 17.283 16.093 1.00 15.16 H ATOM 821 HE2 LYS B 29 -5.285 18.571 18.143 1.00 12.53 H ATOM 822 HE3 LYS B 29 -3.776 18.268 17.301 1.00 15.76 H ATOM 823 HZ1 LYS B 29 -3.981 20.530 16.401 1.00 16.59 H ATOM 824 HZ2 LYS B 29 -5.303 20.841 17.403 1.00 10.46 H ATOM 825 HZ3 LYS B 29 -3.795 20.481 18.085 1.00 15.84 H ATOM 826 N THR B 30 -1.180 20.165 13.552 1.00 15.78 N ATOM 827 CA THR B 30 0.240 20.393 13.765 1.00 18.57 C ATOM 828 C THR B 30 0.453 20.713 15.251 1.00 17.78 C ATOM 829 O THR B 30 -0.549 20.988 15.949 1.00 26.24 O ATOM 830 CB THR B 30 0.761 21.560 12.899 1.00 20.25 C ATOM 831 OG1 THR B 30 -0.071 22.707 13.096 1.00 20.42 O ATOM 832 CG2 THR B 30 0.757 21.167 11.416 1.00 22.14 C ATOM 833 OXT THR B 30 1.616 20.700 15.693 1.00 26.66 O ATOM 834 H THR B 30 -1.837 20.889 13.623 1.00 14.43 H ATOM 835 HA THR B 30 0.783 19.485 13.524 1.00 15.55 H ATOM 836 HB THR B 30 1.776 21.772 13.203 1.00 14.60 H ATOM 837 HG1 THR B 30 0.199 23.451 12.555 1.00 15.92 H ATOM 838 HG21 THR B 30 1.052 20.126 11.331 1.00 10.78 H ATOM 839 HG22 THR B 30 -0.258 21.303 11.061 1.00 12.78 H ATOM 840 HG23 THR B 30 1.441 21.793 10.852 1.00 12.11 H