USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 81 ASN : amide:sc= -0.428 K(o=-0.43,f=-3.4!) USER MOD Set 1.2: B 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 53 THR OG1 : rot -24:sc= 1.17 USER MOD Set 2.2: B 56 THR OG1 : rot 13:sc= 2.08 USER MOD Set 3.1: B 22 TYR OH : rot 180:sc= 0.00171 USER MOD Set 3.2: B 59 THR OG1 : rot 159:sc= 0.00106 USER MOD Single : A 407 MET CE :methyl 174:sc= -0.293 (180deg=-0.362) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0392) USER MOD Single : B 18 ASN : amide:sc= 0.0645 K(o=0.065,f=-8!) USER MOD Single : B 25 ASN : amide:sc= 0.646 K(o=0.65,f=-0.15) USER MOD Single : B 28 TYR OH : rot -70:sc= 0.0192 USER MOD Single : B 29 LYS NZ :NH3+ -160:sc= -0.0524 (180deg=-0.307) USER MOD Single : B 31 THR OG1 : rot 180:sc= 0.0459 USER MOD Single : B 35 MET CE :methyl -175:sc= 0 (180deg=-0.0255) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 168:sc= 0.479 (180deg=0.125) USER MOD Single : B 42 TYR OH : rot 130:sc= 0 USER MOD Single : B 47 GLN : amide:sc= 0.965 K(o=0.96,f=-5.2!) USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 61 TYR OH : rot 150:sc= 0 USER MOD Single : B 64 TYR OH : rot -163:sc= 1.22 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 ASN : amide:sc= -0.125 K(o=-0.12,f=-2!) USER MOD Single : B 74 CYS SG : rot 56:sc= 0.112 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : B 78 SER OG : rot 180:sc=-0.00405 USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 111:sc= 0.382 USER MOD Single : B 93 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 7.348 1.410 -4.485 1.00 34.05 N ATOM 392 CA LEU A 404 6.060 1.067 -3.930 1.00 52.33 C ATOM 393 C LEU A 404 6.136 -0.182 -3.053 1.00 5.42 C ATOM 394 O LEU A 404 5.443 -0.264 -2.040 1.00 0.42 O ATOM 395 CB LEU A 404 5.142 0.818 -5.135 1.00 63.24 C ATOM 396 CG LEU A 404 3.651 0.916 -4.810 1.00 75.10 C ATOM 397 CD1 LEU A 404 3.279 2.389 -4.624 1.00 34.53 C ATOM 398 CD2 LEU A 404 2.860 0.357 -5.989 1.00 35.15 C ATOM 0 HA LEU A 404 5.690 1.867 -3.288 1.00 52.33 H new ATOM 0 HB2 LEU A 404 5.381 1.539 -5.917 1.00 63.24 H new ATOM 0 HB3 LEU A 404 5.351 -0.172 -5.540 1.00 63.24 H new ATOM 0 HG LEU A 404 3.426 0.357 -3.902 1.00 75.10 H new ATOM 0 HD11 LEU A 404 2.217 2.470 -4.392 1.00 34.53 H new ATOM 0 HD12 LEU A 404 3.862 2.811 -3.806 1.00 34.53 H new ATOM 0 HD13 LEU A 404 3.492 2.937 -5.542 1.00 34.53 H new ATOM 0 HD21 LEU A 404 1.793 0.419 -5.774 1.00 35.15 H new ATOM 0 HD22 LEU A 404 3.084 0.936 -6.885 1.00 35.15 H new ATOM 0 HD23 LEU A 404 3.137 -0.685 -6.152 1.00 35.15 H new ATOM 409 N ASP A 405 6.954 -1.149 -3.472 1.00 44.32 N ATOM 410 CA ASP A 405 7.156 -2.420 -2.793 1.00 14.50 C ATOM 411 C ASP A 405 7.964 -2.255 -1.507 1.00 12.11 C ATOM 412 O ASP A 405 7.590 -2.810 -0.473 1.00 45.41 O ATOM 413 CB ASP A 405 7.833 -3.390 -3.763 1.00 32.13 C ATOM 414 CG ASP A 405 7.841 -4.808 -3.209 1.00 53.43 C ATOM 415 OD1 ASP A 405 6.738 -5.316 -2.897 1.00 33.24 O ATOM 416 OD2 ASP A 405 8.914 -5.442 -3.123 1.00 74.15 O ATOM 0 H ASP A 405 7.510 -1.061 -4.322 1.00 44.32 H new ATOM 0 HA ASP A 405 6.189 -2.823 -2.492 1.00 14.50 H new ATOM 0 HB2 ASP A 405 7.312 -3.374 -4.720 1.00 32.13 H new ATOM 0 HB3 ASP A 405 8.856 -3.065 -3.952 1.00 32.13 H new ATOM 420 N ALA A 406 9.046 -1.473 -1.543 1.00 61.24 N ATOM 421 CA ALA A 406 9.880 -1.228 -0.369 1.00 30.23 C ATOM 422 C ALA A 406 9.146 -0.336 0.642 1.00 33.12 C ATOM 423 O ALA A 406 9.476 -0.340 1.834 1.00 53.43 O ATOM 424 CB ALA A 406 11.203 -0.598 -0.793 1.00 15.32 C ATOM 0 H ALA A 406 9.366 -0.994 -2.385 1.00 61.24 H new ATOM 0 HA ALA A 406 10.089 -2.180 0.118 1.00 30.23 H new ATOM 0 HB1 ALA A 406 11.819 -0.418 0.088 1.00 15.32 H new ATOM 0 HB2 ALA A 406 11.726 -1.272 -1.471 1.00 15.32 H new ATOM 0 HB3 ALA A 406 11.010 0.348 -1.300 1.00 15.32 H new ATOM 430 N MET A 407 8.157 0.440 0.192 1.00 30.25 N ATOM 431 CA MET A 407 7.383 1.291 1.076 1.00 11.05 C ATOM 432 C MET A 407 6.482 0.424 1.962 1.00 22.23 C ATOM 433 O MET A 407 6.300 0.765 3.131 1.00 21.32 O ATOM 434 CB MET A 407 6.519 2.270 0.274 1.00 13.12 C ATOM 435 CG MET A 407 7.255 3.502 -0.246 1.00 65.14 C ATOM 436 SD MET A 407 6.212 4.627 -1.216 1.00 15.21 S ATOM 437 CE MET A 407 5.139 5.242 0.114 1.00 64.34 C ATOM 0 H MET A 407 7.878 0.491 -0.788 1.00 30.25 H new ATOM 0 HA MET A 407 8.073 1.864 1.695 1.00 11.05 H new ATOM 0 HB2 MET A 407 6.086 1.739 -0.574 1.00 13.12 H new ATOM 0 HB3 MET A 407 5.690 2.598 0.901 1.00 13.12 H new ATOM 0 HG2 MET A 407 7.672 4.048 0.600 1.00 65.14 H new ATOM 0 HG3 MET A 407 8.094 3.179 -0.862 1.00 65.14 H new ATOM 0 HE1 MET A 407 4.495 6.031 -0.274 1.00 64.34 H new ATOM 0 HE2 MET A 407 4.524 4.425 0.493 1.00 64.34 H new ATOM 0 HE3 MET A 407 5.753 5.639 0.923 1.00 64.34 H new ATOM 445 N PHE A 408 5.894 -0.660 1.439 1.00 34.41 N ATOM 446 CA PHE A 408 5.007 -1.538 2.205 1.00 23.44 C ATOM 447 C PHE A 408 5.777 -2.388 3.226 1.00 42.12 C ATOM 448 O PHE A 408 6.969 -2.642 3.031 1.00 52.15 O ATOM 449 CB PHE A 408 4.226 -2.453 1.243 1.00 53.32 C ATOM 450 CG PHE A 408 3.062 -1.778 0.540 1.00 32.51 C ATOM 451 CD1 PHE A 408 2.005 -1.222 1.287 1.00 71.11 C ATOM 452 CD2 PHE A 408 3.026 -1.711 -0.864 1.00 12.22 C ATOM 453 CE1 PHE A 408 0.945 -0.570 0.636 1.00 41.03 C ATOM 454 CE2 PHE A 408 1.955 -1.077 -1.516 1.00 54.05 C ATOM 455 CZ PHE A 408 0.914 -0.503 -0.767 1.00 11.43 C ATOM 0 H PHE A 408 6.022 -0.951 0.470 1.00 34.41 H new ATOM 0 HA PHE A 408 4.315 -0.906 2.762 1.00 23.44 H new ATOM 0 HB2 PHE A 408 4.914 -2.840 0.491 1.00 53.32 H new ATOM 0 HB3 PHE A 408 3.849 -3.310 1.802 1.00 53.32 H new ATOM 0 HD1 PHE A 408 2.010 -1.297 2.364 1.00 71.11 H new ATOM 0 HD2 PHE A 408 3.825 -2.149 -1.444 1.00 12.22 H new ATOM 0 HE1 PHE A 408 0.152 -0.119 1.215 1.00 41.03 H new ATOM 0 HE2 PHE A 408 1.932 -1.031 -2.595 1.00 54.05 H new ATOM 0 HZ PHE A 408 0.093 -0.012 -1.268 1.00 11.43 H new ATOM 464 N PRO A 409 5.126 -2.850 4.308 1.00 61.11 N ATOM 465 CA PRO A 409 5.759 -3.685 5.326 1.00 24.11 C ATOM 466 C PRO A 409 6.006 -5.114 4.806 1.00 11.05 C ATOM 467 O PRO A 409 5.490 -5.526 3.760 1.00 11.11 O ATOM 468 CB PRO A 409 4.798 -3.665 6.514 1.00 52.34 C ATOM 469 CG PRO A 409 3.438 -3.475 5.850 1.00 31.25 C ATOM 470 CD PRO A 409 3.733 -2.591 4.649 1.00 32.32 C ATOM 0 HA PRO A 409 6.744 -3.311 5.607 1.00 24.11 H new ATOM 0 HB2 PRO A 409 4.843 -4.592 7.085 1.00 52.34 H new ATOM 0 HB3 PRO A 409 5.027 -2.854 7.205 1.00 52.34 H new ATOM 0 HG2 PRO A 409 3.006 -4.429 5.547 1.00 31.25 H new ATOM 0 HG3 PRO A 409 2.726 -3.003 6.527 1.00 31.25 H new ATOM 0 HD2 PRO A 409 3.074 -2.830 3.814 1.00 32.32 H new ATOM 0 HD3 PRO A 409 3.576 -1.539 4.888 1.00 32.32 H new ATOM 475 N GLU A 410 6.805 -5.878 5.549 1.00 2.34 N ATOM 476 CA GLU A 410 7.185 -7.255 5.239 1.00 75.02 C ATOM 477 C GLU A 410 6.070 -8.244 5.619 1.00 35.51 C ATOM 478 O GLU A 410 5.282 -7.969 6.528 1.00 53.10 O ATOM 479 CB GLU A 410 8.488 -7.596 5.986 1.00 52.41 C ATOM 480 CG GLU A 410 9.616 -6.590 5.687 1.00 15.22 C ATOM 481 CD GLU A 410 10.965 -6.970 6.303 1.00 5.14 C ATOM 482 OE1 GLU A 410 10.997 -7.510 7.432 1.00 44.35 O ATOM 483 OE2 GLU A 410 12.008 -6.693 5.660 1.00 3.34 O ATOM 0 H GLU A 410 7.222 -5.542 6.417 1.00 2.34 H new ATOM 0 HA GLU A 410 7.343 -7.343 4.164 1.00 75.02 H new ATOM 0 HB2 GLU A 410 8.295 -7.613 7.059 1.00 52.41 H new ATOM 0 HB3 GLU A 410 8.814 -8.597 5.705 1.00 52.41 H new ATOM 0 HG2 GLU A 410 9.733 -6.501 4.607 1.00 15.22 H new ATOM 0 HG3 GLU A 410 9.322 -5.608 6.058 1.00 15.22 H new ATOM 488 N GLY A 411 6.009 -9.399 4.938 1.00 3.34 N ATOM 489 CA GLY A 411 5.022 -10.451 5.189 1.00 65.33 C ATOM 490 C GLY A 411 3.711 -10.305 4.408 1.00 22.44 C ATOM 491 O GLY A 411 2.696 -10.852 4.844 1.00 73.15 O ATOM 0 H GLY A 411 6.658 -9.628 4.185 1.00 3.34 H new ATOM 0 HA2 GLY A 411 5.469 -11.414 4.944 1.00 65.33 H new ATOM 0 HA3 GLY A 411 4.793 -10.468 6.255 1.00 65.33 H new ATOM 495 N TYR A 412 3.713 -9.673 3.227 1.00 23.05 N ATOM 496 CA TYR A 412 2.518 -9.439 2.411 1.00 13.14 C ATOM 497 C TYR A 412 2.676 -9.995 0.996 1.00 44.13 C ATOM 498 O TYR A 412 3.778 -10.241 0.496 1.00 34.10 O ATOM 499 CB TYR A 412 2.182 -7.936 2.354 1.00 74.40 C ATOM 500 CG TYR A 412 1.714 -7.314 3.659 1.00 43.10 C ATOM 501 CD1 TYR A 412 2.583 -7.212 4.761 1.00 15.32 C ATOM 502 CD2 TYR A 412 0.407 -6.805 3.766 1.00 22.42 C ATOM 503 CE1 TYR A 412 2.144 -6.677 5.983 1.00 61.43 C ATOM 504 CE2 TYR A 412 -0.017 -6.204 4.962 1.00 51.13 C ATOM 505 CZ TYR A 412 0.842 -6.144 6.086 1.00 20.50 C ATOM 506 OH TYR A 412 0.446 -5.512 7.227 1.00 3.32 O ATOM 0 H TYR A 412 4.564 -9.303 2.805 1.00 23.05 H new ATOM 0 HA TYR A 412 1.694 -9.970 2.888 1.00 13.14 H new ATOM 0 HB2 TYR A 412 3.066 -7.398 2.013 1.00 74.40 H new ATOM 0 HB3 TYR A 412 1.407 -7.784 1.602 1.00 74.40 H new ATOM 0 HD1 TYR A 412 3.604 -7.551 4.666 1.00 15.32 H new ATOM 0 HD2 TYR A 412 -0.270 -6.877 2.928 1.00 22.42 H new ATOM 0 HE1 TYR A 412 2.801 -6.674 6.840 1.00 61.43 H new ATOM 0 HE2 TYR A 412 -1.009 -5.783 5.025 1.00 51.13 H new ATOM 0 HH TYR A 412 -0.479 -5.205 7.127 1.00 3.32 H new ATOM 515 N LYS A 413 1.540 -10.244 0.344 1.00 63.23 N ATOM 516 CA LYS A 413 1.441 -10.790 -1.002 1.00 45.32 C ATOM 517 C LYS A 413 0.547 -9.861 -1.817 1.00 51.21 C ATOM 518 O LYS A 413 -0.512 -9.434 -1.348 1.00 70.02 O ATOM 519 CB LYS A 413 0.900 -12.232 -0.887 1.00 25.43 C ATOM 520 CG LYS A 413 1.321 -13.211 -1.994 1.00 3.31 C ATOM 521 CD LYS A 413 0.634 -12.936 -3.332 1.00 21.40 C ATOM 522 CE LYS A 413 0.920 -13.986 -4.403 1.00 4.05 C ATOM 523 NZ LYS A 413 0.397 -15.323 -4.072 1.00 65.41 N ATOM 0 H LYS A 413 0.627 -10.062 0.761 1.00 63.23 H new ATOM 0 HA LYS A 413 2.401 -10.846 -1.516 1.00 45.32 H new ATOM 0 HB2 LYS A 413 1.220 -12.642 0.071 1.00 25.43 H new ATOM 0 HB3 LYS A 413 -0.189 -12.188 -0.866 1.00 25.43 H new ATOM 0 HG2 LYS A 413 2.401 -13.155 -2.129 1.00 3.31 H new ATOM 0 HG3 LYS A 413 1.092 -14.228 -1.677 1.00 3.31 H new ATOM 0 HD2 LYS A 413 -0.443 -12.879 -3.171 1.00 21.40 H new ATOM 0 HD3 LYS A 413 0.953 -11.961 -3.699 1.00 21.40 H new ATOM 0 HE2 LYS A 413 0.485 -13.658 -5.347 1.00 4.05 H new ATOM 0 HE3 LYS A 413 1.997 -14.054 -4.555 1.00 4.05 H new ATOM 0 HZ1 LYS A 413 0.505 -15.951 -4.894 1.00 65.41 H new ATOM 0 HZ2 LYS A 413 0.926 -15.713 -3.266 1.00 65.41 H new ATOM 0 HZ3 LYS A 413 -0.610 -15.250 -3.822 1.00 65.41 H new ATOM 533 N VAL A 414 0.969 -9.522 -3.032 1.00 72.25 N ATOM 534 CA VAL A 414 0.195 -8.654 -3.910 1.00 34.15 C ATOM 535 C VAL A 414 -1.037 -9.448 -4.363 1.00 55.13 C ATOM 536 O VAL A 414 -0.994 -10.675 -4.447 1.00 54.45 O ATOM 537 CB VAL A 414 1.074 -8.190 -5.097 1.00 40.43 C ATOM 538 CG1 VAL A 414 0.354 -7.160 -5.985 1.00 63.11 C ATOM 539 CG2 VAL A 414 2.391 -7.559 -4.609 1.00 3.34 C ATOM 0 H VAL A 414 1.852 -9.840 -3.432 1.00 72.25 H new ATOM 0 HA VAL A 414 -0.134 -7.749 -3.399 1.00 34.15 H new ATOM 0 HB VAL A 414 1.282 -9.087 -5.680 1.00 40.43 H new ATOM 0 HG11 VAL A 414 1.010 -6.864 -6.804 1.00 63.11 H new ATOM 0 HG12 VAL A 414 -0.556 -7.602 -6.390 1.00 63.11 H new ATOM 0 HG13 VAL A 414 0.098 -6.283 -5.391 1.00 63.11 H new ATOM 0 HG21 VAL A 414 2.984 -7.244 -5.468 1.00 3.34 H new ATOM 0 HG22 VAL A 414 2.170 -6.694 -3.984 1.00 3.34 H new ATOM 0 HG23 VAL A 414 2.953 -8.292 -4.029 1.00 3.34 H new ATOM 549 N LEU A 415 -2.150 -8.772 -4.648 1.00 24.11 N ATOM 550 CA LEU A 415 -3.380 -9.418 -5.096 1.00 62.53 C ATOM 551 C LEU A 415 -3.812 -8.784 -6.420 1.00 52.45 C ATOM 552 O LEU A 415 -4.660 -7.891 -6.394 1.00 63.13 O ATOM 553 CB LEU A 415 -4.447 -9.328 -3.988 1.00 53.22 C ATOM 554 CG LEU A 415 -5.753 -10.091 -4.306 1.00 45.30 C ATOM 555 CD1 LEU A 415 -5.548 -11.613 -4.299 1.00 12.40 C ATOM 556 CD2 LEU A 415 -6.802 -9.733 -3.248 1.00 35.31 C ATOM 0 H LEU A 415 -2.222 -7.757 -4.574 1.00 24.11 H new ATOM 0 HA LEU A 415 -3.226 -10.481 -5.283 1.00 62.53 H new ATOM 0 HB2 LEU A 415 -4.027 -9.719 -3.061 1.00 53.22 H new ATOM 0 HB3 LEU A 415 -4.685 -8.279 -3.812 1.00 53.22 H new ATOM 0 HG LEU A 415 -6.079 -9.799 -5.304 1.00 45.30 H new ATOM 0 HD11 LEU A 415 -6.492 -12.108 -4.527 1.00 12.40 H new ATOM 0 HD12 LEU A 415 -4.805 -11.884 -5.050 1.00 12.40 H new ATOM 0 HD13 LEU A 415 -5.201 -11.929 -3.315 1.00 12.40 H new ATOM 0 HD21 LEU A 415 -7.729 -10.265 -3.461 1.00 35.31 H new ATOM 0 HD22 LEU A 415 -6.437 -10.020 -2.262 1.00 35.31 H new ATOM 0 HD23 LEU A 415 -6.987 -8.659 -3.268 1.00 35.31 H new ATOM 567 N PRO A 416 -3.188 -9.140 -7.558 1.00 24.22 N ATOM 568 CA PRO A 416 -3.556 -8.607 -8.872 1.00 42.41 C ATOM 569 C PRO A 416 -5.044 -8.869 -9.187 1.00 71.43 C ATOM 570 O PRO A 416 -5.648 -9.740 -8.549 1.00 5.53 O ATOM 571 CB PRO A 416 -2.657 -9.336 -9.878 1.00 23.30 C ATOM 572 CG PRO A 416 -1.481 -9.808 -9.033 1.00 62.24 C ATOM 573 CD PRO A 416 -2.153 -10.150 -7.713 1.00 11.34 C ATOM 0 HA PRO A 416 -3.420 -7.526 -8.911 1.00 42.41 H new ATOM 0 HB2 PRO A 416 -3.176 -10.173 -10.346 1.00 23.30 H new ATOM 0 HB3 PRO A 416 -2.333 -8.673 -10.680 1.00 23.30 H new ATOM 0 HG2 PRO A 416 -0.984 -10.673 -9.473 1.00 62.24 H new ATOM 0 HG3 PRO A 416 -0.725 -9.031 -8.916 1.00 62.24 H new ATOM 0 HD2 PRO A 416 -2.578 -11.154 -7.732 1.00 11.34 H new ATOM 0 HD3 PRO A 416 -1.443 -10.120 -6.887 1.00 11.34 H new ATOM 578 N PRO A 417 -5.635 -8.162 -10.165 1.00 73.24 N ATOM 579 CA PRO A 417 -7.035 -8.358 -10.526 1.00 14.22 C ATOM 580 C PRO A 417 -7.250 -9.742 -11.157 1.00 72.02 C ATOM 581 O PRO A 417 -6.289 -10.341 -11.662 1.00 22.12 O ATOM 582 CB PRO A 417 -7.383 -7.229 -11.504 1.00 2.14 C ATOM 583 CG PRO A 417 -6.035 -6.854 -12.109 1.00 64.02 C ATOM 584 CD PRO A 417 -5.037 -7.124 -10.988 1.00 52.24 C ATOM 0 HA PRO A 417 -7.683 -8.325 -9.650 1.00 14.22 H new ATOM 0 HB2 PRO A 417 -8.087 -7.562 -12.267 1.00 2.14 H new ATOM 0 HB3 PRO A 417 -7.843 -6.383 -10.993 1.00 2.14 H new ATOM 0 HG2 PRO A 417 -5.814 -7.453 -12.992 1.00 64.02 H new ATOM 0 HG3 PRO A 417 -6.014 -5.809 -12.419 1.00 64.02 H new ATOM 0 HD2 PRO A 417 -4.077 -7.448 -11.389 1.00 52.24 H new ATOM 0 HD3 PRO A 417 -4.851 -6.222 -10.405 1.00 52.24 H new ATOM 589 N PRO A 418 -8.501 -10.237 -11.159 1.00 63.10 N ATOM 590 CA PRO A 418 -8.831 -11.531 -11.729 1.00 74.31 C ATOM 591 C PRO A 418 -8.628 -11.566 -13.249 1.00 65.24 C ATOM 592 O PRO A 418 -8.390 -10.550 -13.916 1.00 40.41 O ATOM 593 CB PRO A 418 -10.270 -11.832 -11.295 1.00 44.44 C ATOM 594 CG PRO A 418 -10.869 -10.468 -10.993 1.00 11.42 C ATOM 595 CD PRO A 418 -9.680 -9.603 -10.584 1.00 3.15 C ATOM 0 HA PRO A 418 -8.160 -12.309 -11.364 1.00 74.31 H new ATOM 0 HB2 PRO A 418 -10.824 -12.343 -12.083 1.00 44.44 H new ATOM 0 HB3 PRO A 418 -10.293 -12.479 -10.418 1.00 44.44 H new ATOM 0 HG2 PRO A 418 -11.376 -10.056 -11.866 1.00 11.42 H new ATOM 0 HG3 PRO A 418 -11.608 -10.528 -10.194 1.00 11.42 H new ATOM 0 HD2 PRO A 418 -9.794 -8.584 -10.954 1.00 3.15 H new ATOM 0 HD3 PRO A 418 -9.599 -9.541 -9.499 1.00 3.15 H new ATOM 826 N VAL B 17 -4.255 13.267 3.296 1.00 20.15 N ATOM 827 CA VAL B 17 -4.766 11.959 2.928 1.00 25.32 C ATOM 828 C VAL B 17 -3.753 11.332 1.989 1.00 32.21 C ATOM 829 O VAL B 17 -3.650 11.748 0.831 1.00 72.02 O ATOM 830 CB VAL B 17 -6.164 12.048 2.267 1.00 50.35 C ATOM 831 CG1 VAL B 17 -6.647 10.661 1.833 1.00 70.40 C ATOM 832 CG2 VAL B 17 -7.221 12.661 3.190 1.00 5.14 C ATOM 0 HA VAL B 17 -4.898 11.346 3.819 1.00 25.32 H new ATOM 0 HB VAL B 17 -6.044 12.700 1.402 1.00 50.35 H new ATOM 0 HG11 VAL B 17 -7.631 10.746 1.371 1.00 70.40 H new ATOM 0 HG12 VAL B 17 -5.944 10.239 1.114 1.00 70.40 H new ATOM 0 HG13 VAL B 17 -6.710 10.009 2.704 1.00 70.40 H new ATOM 0 HG21 VAL B 17 -8.179 12.697 2.672 1.00 5.14 H new ATOM 0 HG22 VAL B 17 -7.317 12.052 4.089 1.00 5.14 H new ATOM 0 HG23 VAL B 17 -6.920 13.671 3.467 1.00 5.14 H new ATOM 842 N ASN B 18 -2.942 10.404 2.495 1.00 0.21 N ATOM 843 CA ASN B 18 -1.978 9.715 1.647 1.00 4.44 C ATOM 844 C ASN B 18 -2.799 8.862 0.673 1.00 62.34 C ATOM 845 O ASN B 18 -3.908 8.429 1.004 1.00 1.34 O ATOM 846 CB ASN B 18 -1.058 8.814 2.482 1.00 33.13 C ATOM 847 CG ASN B 18 0.144 8.315 1.680 1.00 43.14 C ATOM 848 OD1 ASN B 18 0.015 7.718 0.618 1.00 14.31 O ATOM 849 ND2 ASN B 18 1.340 8.552 2.172 1.00 14.14 N ATOM 0 H ASN B 18 -2.934 10.117 3.474 1.00 0.21 H new ATOM 0 HA ASN B 18 -1.342 10.429 1.124 1.00 4.44 H new ATOM 0 HB2 ASN B 18 -0.707 9.365 3.355 1.00 33.13 H new ATOM 0 HB3 ASN B 18 -1.626 7.960 2.851 1.00 33.13 H new ATOM 0 HD21 ASN B 18 2.170 8.238 1.669 1.00 14.14 H new ATOM 0 HD22 ASN B 18 1.438 9.050 3.057 1.00 14.14 H new ATOM 855 N ARG B 19 -2.300 8.643 -0.544 1.00 65.13 N ATOM 856 CA ARG B 19 -2.983 7.818 -1.534 1.00 74.11 C ATOM 857 C ARG B 19 -3.179 6.415 -0.945 1.00 31.20 C ATOM 858 O ARG B 19 -4.231 5.802 -1.111 1.00 54.13 O ATOM 859 CB ARG B 19 -2.156 7.725 -2.833 1.00 13.22 C ATOM 860 CG ARG B 19 -2.199 8.976 -3.729 1.00 1.32 C ATOM 861 CD ARG B 19 -1.415 10.181 -3.189 1.00 44.14 C ATOM 862 NE ARG B 19 0.007 9.873 -2.944 1.00 61.40 N ATOM 863 CZ ARG B 19 0.957 10.752 -2.605 1.00 55.43 C ATOM 864 NH1 ARG B 19 0.642 12.004 -2.304 1.00 0.02 N ATOM 865 NH2 ARG B 19 2.224 10.374 -2.567 1.00 32.44 N ATOM 0 H ARG B 19 -1.414 9.032 -0.868 1.00 65.13 H new ATOM 0 HA ARG B 19 -3.946 8.267 -1.776 1.00 74.11 H new ATOM 0 HB2 ARG B 19 -1.118 7.522 -2.570 1.00 13.22 H new ATOM 0 HB3 ARG B 19 -2.511 6.872 -3.411 1.00 13.22 H new ATOM 0 HG2 ARG B 19 -1.806 8.716 -4.712 1.00 1.32 H new ATOM 0 HG3 ARG B 19 -3.239 9.270 -3.869 1.00 1.32 H new ATOM 0 HD2 ARG B 19 -1.487 11.004 -3.900 1.00 44.14 H new ATOM 0 HD3 ARG B 19 -1.874 10.521 -2.261 1.00 44.14 H new ATOM 0 HE ARG B 19 0.293 8.899 -3.042 1.00 61.40 H new ATOM 0 HH11 ARG B 19 -0.332 12.305 -2.330 1.00 0.02 H new ATOM 0 HH12 ARG B 19 1.374 12.666 -2.047 1.00 0.02 H new ATOM 0 HH21 ARG B 19 2.476 9.413 -2.796 1.00 32.44 H new ATOM 0 HH22 ARG B 19 2.949 11.044 -2.309 1.00 32.44 H new ATOM 876 N ILE B 20 -2.165 5.919 -0.250 1.00 24.25 N ATOM 877 CA ILE B 20 -2.117 4.610 0.366 1.00 43.44 C ATOM 878 C ILE B 20 -3.093 4.503 1.542 1.00 53.34 C ATOM 879 O ILE B 20 -2.943 5.182 2.567 1.00 44.33 O ATOM 880 CB ILE B 20 -0.661 4.318 0.781 1.00 23.41 C ATOM 881 CG1 ILE B 20 0.333 4.570 -0.375 1.00 35.04 C ATOM 882 CG2 ILE B 20 -0.589 2.861 1.256 1.00 61.31 C ATOM 883 CD1 ILE B 20 1.803 4.443 0.041 1.00 23.31 C ATOM 0 H ILE B 20 -1.309 6.452 -0.095 1.00 24.25 H new ATOM 0 HA ILE B 20 -2.438 3.854 -0.350 1.00 43.44 H new ATOM 0 HB ILE B 20 -0.373 4.996 1.584 1.00 23.41 H new ATOM 0 HG12 ILE B 20 0.129 3.863 -1.179 1.00 35.04 H new ATOM 0 HG13 ILE B 20 0.163 5.568 -0.778 1.00 35.04 H new ATOM 0 HG21 ILE B 20 0.432 2.626 1.556 1.00 61.31 H new ATOM 0 HG22 ILE B 20 -1.258 2.722 2.105 1.00 61.31 H new ATOM 0 HG23 ILE B 20 -0.890 2.198 0.444 1.00 61.31 H new ATOM 0 HD11 ILE B 20 2.443 4.633 -0.821 1.00 23.31 H new ATOM 0 HD12 ILE B 20 2.024 5.169 0.824 1.00 23.31 H new ATOM 0 HD13 ILE B 20 1.989 3.437 0.416 1.00 23.31 H new ATOM 894 N LEU B 21 -4.087 3.623 1.411 1.00 65.41 N ATOM 895 CA LEU B 21 -5.096 3.367 2.432 1.00 51.21 C ATOM 896 C LEU B 21 -4.762 2.038 3.107 1.00 23.11 C ATOM 897 O LEU B 21 -4.205 1.136 2.474 1.00 75.41 O ATOM 898 CB LEU B 21 -6.508 3.281 1.822 1.00 63.05 C ATOM 899 CG LEU B 21 -6.935 4.452 0.914 1.00 22.23 C ATOM 900 CD1 LEU B 21 -8.421 4.316 0.565 1.00 32.34 C ATOM 901 CD2 LEU B 21 -6.705 5.822 1.555 1.00 34.54 C ATOM 0 H LEU B 21 -4.213 3.057 0.572 1.00 65.41 H new ATOM 0 HA LEU B 21 -5.090 4.188 3.148 1.00 51.21 H new ATOM 0 HB2 LEU B 21 -6.575 2.359 1.245 1.00 63.05 H new ATOM 0 HB3 LEU B 21 -7.228 3.200 2.637 1.00 63.05 H new ATOM 0 HG LEU B 21 -6.313 4.398 0.020 1.00 22.23 H new ATOM 0 HD11 LEU B 21 -8.721 5.144 -0.077 1.00 32.34 H new ATOM 0 HD12 LEU B 21 -8.587 3.374 0.043 1.00 32.34 H new ATOM 0 HD13 LEU B 21 -9.013 4.333 1.480 1.00 32.34 H new ATOM 0 HD21 LEU B 21 -7.025 6.604 0.867 1.00 34.54 H new ATOM 0 HD22 LEU B 21 -7.280 5.893 2.478 1.00 34.54 H new ATOM 0 HD23 LEU B 21 -5.645 5.946 1.778 1.00 34.54 H new ATOM 912 N TYR B 22 -5.104 1.910 4.384 1.00 63.14 N ATOM 913 CA TYR B 22 -4.910 0.725 5.212 1.00 11.15 C ATOM 914 C TYR B 22 -6.297 0.388 5.724 1.00 22.30 C ATOM 915 O TYR B 22 -7.058 1.299 6.074 1.00 11.24 O ATOM 916 CB TYR B 22 -3.947 1.012 6.369 1.00 2.30 C ATOM 917 CG TYR B 22 -3.678 -0.134 7.331 1.00 24.04 C ATOM 918 CD1 TYR B 22 -3.238 -1.380 6.845 1.00 51.13 C ATOM 919 CD2 TYR B 22 -3.764 0.075 8.722 1.00 21.41 C ATOM 920 CE1 TYR B 22 -2.882 -2.406 7.735 1.00 61.11 C ATOM 921 CE2 TYR B 22 -3.398 -0.944 9.623 1.00 41.25 C ATOM 922 CZ TYR B 22 -2.951 -2.194 9.129 1.00 31.15 C ATOM 923 OH TYR B 22 -2.579 -3.205 9.965 1.00 52.41 O ATOM 0 H TYR B 22 -5.548 2.671 4.897 1.00 63.14 H new ATOM 0 HA TYR B 22 -4.465 -0.100 4.655 1.00 11.15 H new ATOM 0 HB2 TYR B 22 -2.995 1.334 5.948 1.00 2.30 H new ATOM 0 HB3 TYR B 22 -4.342 1.851 6.941 1.00 2.30 H new ATOM 0 HD1 TYR B 22 -3.174 -1.548 5.780 1.00 51.13 H new ATOM 0 HD2 TYR B 22 -4.113 1.024 9.100 1.00 21.41 H new ATOM 0 HE1 TYR B 22 -2.554 -3.361 7.352 1.00 61.11 H new ATOM 0 HE2 TYR B 22 -3.458 -0.773 10.688 1.00 41.25 H new ATOM 0 HH TYR B 22 -2.678 -2.914 10.895 1.00 52.41 H new ATOM 932 N ILE B 23 -6.637 -0.896 5.723 1.00 74.43 N ATOM 933 CA ILE B 23 -7.929 -1.388 6.160 1.00 23.50 C ATOM 934 C ILE B 23 -7.654 -2.444 7.234 1.00 23.32 C ATOM 935 O ILE B 23 -6.617 -3.117 7.228 1.00 22.22 O ATOM 936 CB ILE B 23 -8.728 -1.960 4.962 1.00 15.10 C ATOM 937 CG1 ILE B 23 -8.611 -1.177 3.629 1.00 2.42 C ATOM 938 CG2 ILE B 23 -10.214 -2.111 5.344 1.00 14.03 C ATOM 939 CD1 ILE B 23 -9.264 0.210 3.597 1.00 14.54 C ATOM 0 H ILE B 23 -6.007 -1.635 5.411 1.00 74.43 H new ATOM 0 HA ILE B 23 -8.545 -0.590 6.574 1.00 23.50 H new ATOM 0 HB ILE B 23 -8.264 -2.926 4.761 1.00 15.10 H new ATOM 0 HG12 ILE B 23 -7.553 -1.063 3.391 1.00 2.42 H new ATOM 0 HG13 ILE B 23 -9.053 -1.782 2.837 1.00 2.42 H new ATOM 0 HG21 ILE B 23 -10.768 -2.514 4.496 1.00 14.03 H new ATOM 0 HG22 ILE B 23 -10.304 -2.790 6.192 1.00 14.03 H new ATOM 0 HG23 ILE B 23 -10.621 -1.137 5.614 1.00 14.03 H new ATOM 0 HD11 ILE B 23 -9.116 0.659 2.615 1.00 14.54 H new ATOM 0 HD12 ILE B 23 -10.331 0.114 3.796 1.00 14.54 H new ATOM 0 HD13 ILE B 23 -8.809 0.844 4.358 1.00 14.54 H new ATOM 950 N ARG B 24 -8.591 -2.599 8.161 1.00 1.32 N ATOM 951 CA ARG B 24 -8.554 -3.528 9.290 1.00 45.55 C ATOM 952 C ARG B 24 -9.914 -4.192 9.411 1.00 72.23 C ATOM 953 O ARG B 24 -10.880 -3.717 8.809 1.00 3.35 O ATOM 954 CB ARG B 24 -8.212 -2.811 10.603 1.00 41.33 C ATOM 955 CG ARG B 24 -6.854 -2.090 10.669 1.00 2.31 C ATOM 956 CD ARG B 24 -6.746 -1.219 11.933 1.00 54.02 C ATOM 957 NE ARG B 24 -7.063 -1.957 13.173 1.00 32.14 N ATOM 958 CZ ARG B 24 -7.829 -1.524 14.183 1.00 41.54 C ATOM 959 NH1 ARG B 24 -8.275 -0.278 14.256 1.00 73.51 N ATOM 960 NH2 ARG B 24 -8.190 -2.359 15.142 1.00 54.03 N ATOM 0 H ARG B 24 -9.449 -2.048 8.146 1.00 1.32 H new ATOM 0 HA ARG B 24 -7.776 -4.269 9.108 1.00 45.55 H new ATOM 0 HB2 ARG B 24 -8.995 -2.079 10.804 1.00 41.33 H new ATOM 0 HB3 ARG B 24 -8.246 -3.544 11.409 1.00 41.33 H new ATOM 0 HG2 ARG B 24 -6.049 -2.825 10.661 1.00 2.31 H new ATOM 0 HG3 ARG B 24 -6.727 -1.467 9.783 1.00 2.31 H new ATOM 0 HD2 ARG B 24 -5.736 -0.817 12.005 1.00 54.02 H new ATOM 0 HD3 ARG B 24 -7.422 -0.369 11.840 1.00 54.02 H new ATOM 0 HE ARG B 24 -6.659 -2.888 13.270 1.00 32.14 H new ATOM 0 HH11 ARG B 24 -8.037 0.392 13.525 1.00 73.51 H new ATOM 0 HH12 ARG B 24 -8.856 0.010 15.043 1.00 73.51 H new ATOM 0 HH21 ARG B 24 -7.885 -3.332 15.112 1.00 54.03 H new ATOM 0 HH22 ARG B 24 -8.773 -2.030 15.912 1.00 54.03 H new ATOM 971 N ASN B 25 -9.978 -5.294 10.167 1.00 11.11 N ATOM 972 CA ASN B 25 -11.172 -6.103 10.432 1.00 71.15 C ATOM 973 C ASN B 25 -11.636 -6.862 9.175 1.00 3.14 C ATOM 974 O ASN B 25 -12.760 -7.368 9.136 1.00 60.34 O ATOM 975 CB ASN B 25 -12.286 -5.234 11.075 1.00 13.34 C ATOM 976 CG ASN B 25 -12.315 -5.249 12.593 1.00 14.45 C ATOM 977 OD1 ASN B 25 -11.299 -5.406 13.270 1.00 42.43 O ATOM 978 ND2 ASN B 25 -13.482 -5.009 13.153 1.00 61.25 N ATOM 0 H ASN B 25 -9.152 -5.665 10.636 1.00 11.11 H new ATOM 0 HA ASN B 25 -10.917 -6.874 11.159 1.00 71.15 H new ATOM 0 HB2 ASN B 25 -12.162 -4.204 10.739 1.00 13.34 H new ATOM 0 HB3 ASN B 25 -13.252 -5.576 10.705 1.00 13.34 H new ATOM 0 HD21 ASN B 25 -13.558 -4.950 14.168 1.00 61.25 H new ATOM 0 HD22 ASN B 25 -14.310 -4.882 12.571 1.00 61.25 H new ATOM 984 N LEU B 26 -10.789 -6.925 8.139 1.00 33.24 N ATOM 985 CA LEU B 26 -11.070 -7.587 6.868 1.00 70.43 C ATOM 986 C LEU B 26 -11.215 -9.103 7.011 1.00 33.30 C ATOM 987 O LEU B 26 -10.602 -9.696 7.907 1.00 10.51 O ATOM 988 CB LEU B 26 -9.926 -7.324 5.866 1.00 54.21 C ATOM 989 CG LEU B 26 -9.913 -5.897 5.298 1.00 60.25 C ATOM 990 CD1 LEU B 26 -8.602 -5.700 4.539 1.00 11.32 C ATOM 991 CD2 LEU B 26 -11.057 -5.627 4.323 1.00 40.24 C ATOM 0 H LEU B 26 -9.861 -6.502 8.168 1.00 33.24 H new ATOM 0 HA LEU B 26 -12.014 -7.173 6.514 1.00 70.43 H new ATOM 0 HB2 LEU B 26 -8.973 -7.517 6.358 1.00 54.21 H new ATOM 0 HB3 LEU B 26 -10.008 -8.032 5.041 1.00 54.21 H new ATOM 0 HG LEU B 26 -10.024 -5.212 6.139 1.00 60.25 H new ATOM 0 HD11 LEU B 26 -8.569 -4.692 4.125 1.00 11.32 H new ATOM 0 HD12 LEU B 26 -7.763 -5.840 5.220 1.00 11.32 H new ATOM 0 HD13 LEU B 26 -8.538 -6.427 3.729 1.00 11.32 H new ATOM 0 HD21 LEU B 26 -10.990 -4.602 3.959 1.00 40.24 H new ATOM 0 HD22 LEU B 26 -10.988 -6.317 3.482 1.00 40.24 H new ATOM 0 HD23 LEU B 26 -12.010 -5.770 4.832 1.00 40.24 H new ATOM 1002 N PRO B 27 -11.934 -9.752 6.077 1.00 20.01 N ATOM 1003 CA PRO B 27 -12.127 -11.190 6.083 1.00 35.02 C ATOM 1004 C PRO B 27 -10.798 -11.926 5.928 1.00 21.12 C ATOM 1005 O PRO B 27 -9.818 -11.421 5.364 1.00 43.42 O ATOM 1006 CB PRO B 27 -13.084 -11.504 4.928 1.00 2.42 C ATOM 1007 CG PRO B 27 -12.973 -10.289 4.013 1.00 22.12 C ATOM 1008 CD PRO B 27 -12.692 -9.153 4.986 1.00 72.03 C ATOM 0 HA PRO B 27 -12.545 -11.526 7.032 1.00 35.02 H new ATOM 0 HB2 PRO B 27 -12.798 -12.420 4.411 1.00 2.42 H new ATOM 0 HB3 PRO B 27 -14.105 -11.644 5.283 1.00 2.42 H new ATOM 0 HG2 PRO B 27 -12.171 -10.404 3.284 1.00 22.12 H new ATOM 0 HG3 PRO B 27 -13.892 -10.121 3.451 1.00 22.12 H new ATOM 0 HD2 PRO B 27 -12.125 -8.356 4.505 1.00 72.03 H new ATOM 0 HD3 PRO B 27 -13.619 -8.710 5.350 1.00 72.03 H new ATOM 1013 N TYR B 28 -10.761 -13.147 6.455 1.00 15.10 N ATOM 1014 CA TYR B 28 -9.589 -14.015 6.401 1.00 15.23 C ATOM 1015 C TYR B 28 -9.574 -14.814 5.097 1.00 4.33 C ATOM 1016 O TYR B 28 -8.524 -15.330 4.707 1.00 32.22 O ATOM 1017 CB TYR B 28 -9.565 -14.930 7.632 1.00 12.24 C ATOM 1018 CG TYR B 28 -8.810 -14.348 8.816 1.00 22.11 C ATOM 1019 CD1 TYR B 28 -9.059 -13.042 9.286 1.00 71.33 C ATOM 1020 CD2 TYR B 28 -7.812 -15.124 9.430 1.00 31.14 C ATOM 1021 CE1 TYR B 28 -8.297 -12.520 10.345 1.00 11.34 C ATOM 1022 CE2 TYR B 28 -7.039 -14.605 10.484 1.00 73.44 C ATOM 1023 CZ TYR B 28 -7.273 -13.290 10.937 1.00 14.24 C ATOM 1024 OH TYR B 28 -6.544 -12.769 11.964 1.00 74.34 O ATOM 0 H TYR B 28 -11.555 -13.567 6.938 1.00 15.10 H new ATOM 0 HA TYR B 28 -8.685 -13.406 6.416 1.00 15.23 H new ATOM 0 HB2 TYR B 28 -10.590 -15.142 7.936 1.00 12.24 H new ATOM 0 HB3 TYR B 28 -9.111 -15.882 7.356 1.00 12.24 H new ATOM 0 HD1 TYR B 28 -9.835 -12.443 8.832 1.00 71.33 H new ATOM 0 HD2 TYR B 28 -7.636 -16.133 9.088 1.00 31.14 H new ATOM 0 HE1 TYR B 28 -8.496 -11.523 10.708 1.00 11.34 H new ATOM 0 HE2 TYR B 28 -6.271 -15.210 10.944 1.00 73.44 H new ATOM 0 HH TYR B 28 -5.965 -12.055 11.625 1.00 74.34 H new ATOM 1033 N LYS B 29 -10.725 -14.941 4.436 1.00 45.53 N ATOM 1034 CA LYS B 29 -10.908 -15.638 3.177 1.00 13.23 C ATOM 1035 C LYS B 29 -11.669 -14.699 2.254 1.00 24.33 C ATOM 1036 O LYS B 29 -12.793 -14.321 2.580 1.00 73.22 O ATOM 1037 CB LYS B 29 -11.623 -16.972 3.427 1.00 35.10 C ATOM 1038 CG LYS B 29 -12.064 -17.617 2.107 1.00 13.53 C ATOM 1039 CD LYS B 29 -12.192 -19.138 2.212 1.00 34.40 C ATOM 1040 CE LYS B 29 -10.821 -19.818 2.115 1.00 14.21 C ATOM 1041 NZ LYS B 29 -10.237 -19.690 0.762 1.00 13.41 N ATOM 0 H LYS B 29 -11.594 -14.538 4.787 1.00 45.53 H new ATOM 0 HA LYS B 29 -9.962 -15.895 2.700 1.00 13.23 H new ATOM 0 HB2 LYS B 29 -10.958 -17.650 3.963 1.00 35.10 H new ATOM 0 HB3 LYS B 29 -12.492 -16.809 4.064 1.00 35.10 H new ATOM 0 HG2 LYS B 29 -13.022 -17.195 1.802 1.00 13.53 H new ATOM 0 HG3 LYS B 29 -11.344 -17.369 1.327 1.00 13.53 H new ATOM 0 HD2 LYS B 29 -12.665 -19.401 3.158 1.00 34.40 H new ATOM 0 HD3 LYS B 29 -12.841 -19.507 1.417 1.00 34.40 H new ATOM 0 HE2 LYS B 29 -10.144 -19.376 2.846 1.00 14.21 H new ATOM 0 HE3 LYS B 29 -10.920 -20.873 2.369 1.00 14.21 H new ATOM 0 HZ1 LYS B 29 -9.507 -20.419 0.629 1.00 13.41 H new ATOM 0 HZ2 LYS B 29 -10.984 -19.813 0.049 1.00 13.41 H new ATOM 0 HZ3 LYS B 29 -9.809 -18.748 0.656 1.00 13.41 H new ATOM 1051 N ILE B 30 -11.050 -14.271 1.158 1.00 33.20 N ATOM 1052 CA ILE B 30 -11.654 -13.380 0.176 1.00 64.24 C ATOM 1053 C ILE B 30 -11.011 -13.676 -1.186 1.00 71.41 C ATOM 1054 O ILE B 30 -9.919 -14.256 -1.241 1.00 24.31 O ATOM 1055 CB ILE B 30 -11.558 -11.914 0.670 1.00 21.25 C ATOM 1056 CG1 ILE B 30 -12.321 -10.976 -0.281 1.00 61.13 C ATOM 1057 CG2 ILE B 30 -10.122 -11.416 0.941 1.00 4.54 C ATOM 1058 CD1 ILE B 30 -12.671 -9.626 0.345 1.00 31.52 C ATOM 0 H ILE B 30 -10.094 -14.540 0.924 1.00 33.20 H new ATOM 0 HA ILE B 30 -12.723 -13.549 0.050 1.00 64.24 H new ATOM 0 HB ILE B 30 -12.037 -11.897 1.649 1.00 21.25 H new ATOM 0 HG12 ILE B 30 -11.719 -10.808 -1.174 1.00 61.13 H new ATOM 0 HG13 ILE B 30 -13.239 -11.467 -0.604 1.00 61.13 H new ATOM 0 HG21 ILE B 30 -10.154 -10.381 1.282 1.00 4.54 H new ATOM 0 HG22 ILE B 30 -9.660 -12.037 1.709 1.00 4.54 H new ATOM 0 HG23 ILE B 30 -9.536 -11.477 0.024 1.00 4.54 H new ATOM 0 HD11 ILE B 30 -13.208 -9.016 -0.382 1.00 31.52 H new ATOM 0 HD12 ILE B 30 -13.300 -9.783 1.221 1.00 31.52 H new ATOM 0 HD13 ILE B 30 -11.756 -9.115 0.642 1.00 31.52 H new ATOM 1069 N THR B 31 -11.697 -13.344 -2.276 1.00 44.02 N ATOM 1070 CA THR B 31 -11.249 -13.552 -3.646 1.00 33.04 C ATOM 1071 C THR B 31 -10.733 -12.245 -4.240 1.00 1.23 C ATOM 1072 O THR B 31 -10.982 -11.161 -3.700 1.00 14.51 O ATOM 1073 CB THR B 31 -12.443 -14.052 -4.489 1.00 30.40 C ATOM 1074 OG1 THR B 31 -13.580 -13.260 -4.217 1.00 3.44 O ATOM 1075 CG2 THR B 31 -12.784 -15.505 -4.180 1.00 24.44 C ATOM 0 H THR B 31 -12.616 -12.905 -2.225 1.00 44.02 H new ATOM 0 HA THR B 31 -10.443 -14.286 -3.652 1.00 33.04 H new ATOM 0 HB THR B 31 -12.158 -13.975 -5.538 1.00 30.40 H new ATOM 0 HG1 THR B 31 -14.336 -13.578 -4.754 1.00 3.44 H new ATOM 0 HG21 THR B 31 -13.629 -15.819 -4.793 1.00 24.44 H new ATOM 0 HG22 THR B 31 -11.922 -16.136 -4.399 1.00 24.44 H new ATOM 0 HG23 THR B 31 -13.045 -15.601 -3.126 1.00 24.44 H new ATOM 1083 N ALA B 32 -10.002 -12.340 -5.358 1.00 45.12 N ATOM 1084 CA ALA B 32 -9.521 -11.143 -6.038 1.00 61.24 C ATOM 1085 C ALA B 32 -10.767 -10.396 -6.541 1.00 33.11 C ATOM 1086 O ALA B 32 -10.821 -9.175 -6.466 1.00 65.00 O ATOM 1087 CB ALA B 32 -8.594 -11.517 -7.199 1.00 1.42 C ATOM 0 H ALA B 32 -9.737 -13.220 -5.801 1.00 45.12 H new ATOM 0 HA ALA B 32 -8.939 -10.513 -5.365 1.00 61.24 H new ATOM 0 HB1 ALA B 32 -8.246 -10.610 -7.693 1.00 1.42 H new ATOM 0 HB2 ALA B 32 -7.738 -12.073 -6.817 1.00 1.42 H new ATOM 0 HB3 ALA B 32 -9.138 -12.134 -7.914 1.00 1.42 H new ATOM 1093 N GLU B 33 -11.778 -11.161 -6.971 1.00 12.14 N ATOM 1094 CA GLU B 33 -13.066 -10.724 -7.482 1.00 63.24 C ATOM 1095 C GLU B 33 -13.821 -9.897 -6.441 1.00 43.31 C ATOM 1096 O GLU B 33 -14.528 -8.963 -6.805 1.00 12.31 O ATOM 1097 CB GLU B 33 -13.910 -11.962 -7.840 1.00 44.24 C ATOM 1098 CG GLU B 33 -13.286 -12.876 -8.911 1.00 15.21 C ATOM 1099 CD GLU B 33 -13.737 -14.335 -8.776 1.00 61.22 C ATOM 1100 OE1 GLU B 33 -13.568 -14.939 -7.689 1.00 24.31 O ATOM 1101 OE2 GLU B 33 -14.136 -14.948 -9.794 1.00 62.22 O ATOM 0 H GLU B 33 -11.702 -12.178 -6.967 1.00 12.14 H new ATOM 0 HA GLU B 33 -12.895 -10.104 -8.362 1.00 63.24 H new ATOM 0 HB2 GLU B 33 -14.076 -12.546 -6.935 1.00 44.24 H new ATOM 0 HB3 GLU B 33 -14.888 -11.630 -8.189 1.00 44.24 H new ATOM 0 HG2 GLU B 33 -13.555 -12.506 -9.900 1.00 15.21 H new ATOM 0 HG3 GLU B 33 -12.200 -12.827 -8.837 1.00 15.21 H new ATOM 1106 N GLU B 34 -13.734 -10.237 -5.155 1.00 20.03 N ATOM 1107 CA GLU B 34 -14.410 -9.500 -4.093 1.00 62.40 C ATOM 1108 C GLU B 34 -13.628 -8.236 -3.770 1.00 62.41 C ATOM 1109 O GLU B 34 -14.225 -7.164 -3.714 1.00 10.24 O ATOM 1110 CB GLU B 34 -14.590 -10.387 -2.859 1.00 33.40 C ATOM 1111 CG GLU B 34 -15.813 -11.306 -2.982 1.00 14.44 C ATOM 1112 CD GLU B 34 -17.112 -10.583 -2.620 1.00 2.14 C ATOM 1113 OE1 GLU B 34 -17.623 -9.794 -3.450 1.00 3.01 O ATOM 1114 OE2 GLU B 34 -17.604 -10.796 -1.487 1.00 4.22 O ATOM 0 H GLU B 34 -13.191 -11.034 -4.822 1.00 20.03 H new ATOM 0 HA GLU B 34 -15.404 -9.206 -4.429 1.00 62.40 H new ATOM 0 HB2 GLU B 34 -13.695 -10.992 -2.715 1.00 33.40 H new ATOM 0 HB3 GLU B 34 -14.696 -9.759 -1.974 1.00 33.40 H new ATOM 0 HG2 GLU B 34 -15.881 -11.685 -4.002 1.00 14.44 H new ATOM 0 HG3 GLU B 34 -15.685 -12.170 -2.329 1.00 14.44 H new ATOM 1119 N MET B 35 -12.307 -8.336 -3.588 1.00 24.31 N ATOM 1120 CA MET B 35 -11.496 -7.163 -3.281 1.00 15.23 C ATOM 1121 C MET B 35 -11.629 -6.108 -4.377 1.00 55.23 C ATOM 1122 O MET B 35 -11.739 -4.923 -4.063 1.00 74.00 O ATOM 1123 CB MET B 35 -10.024 -7.549 -3.082 1.00 70.30 C ATOM 1124 CG MET B 35 -9.775 -8.180 -1.708 1.00 62.43 C ATOM 1125 SD MET B 35 -10.181 -7.143 -0.269 1.00 63.52 S ATOM 1126 CE MET B 35 -8.997 -5.789 -0.442 1.00 41.22 C ATOM 0 H MET B 35 -11.785 -9.210 -3.648 1.00 24.31 H new ATOM 0 HA MET B 35 -11.865 -6.737 -2.348 1.00 15.23 H new ATOM 0 HB2 MET B 35 -9.725 -8.249 -3.862 1.00 70.30 H new ATOM 0 HB3 MET B 35 -9.399 -6.663 -3.192 1.00 70.30 H new ATOM 0 HG2 MET B 35 -10.355 -9.101 -1.643 1.00 62.43 H new ATOM 0 HG3 MET B 35 -8.724 -8.460 -1.644 1.00 62.43 H new ATOM 0 HE1 MET B 35 -9.073 -5.127 0.420 1.00 41.22 H new ATOM 0 HE2 MET B 35 -7.987 -6.194 -0.500 1.00 41.22 H new ATOM 0 HE3 MET B 35 -9.216 -5.228 -1.351 1.00 41.22 H new ATOM 1134 N TYR B 36 -11.606 -6.520 -5.645 1.00 53.02 N ATOM 1135 CA TYR B 36 -11.737 -5.583 -6.745 1.00 22.42 C ATOM 1136 C TYR B 36 -13.170 -5.077 -6.879 1.00 34.14 C ATOM 1137 O TYR B 36 -13.359 -3.911 -7.207 1.00 14.35 O ATOM 1138 CB TYR B 36 -11.214 -6.197 -8.046 1.00 30.22 C ATOM 1139 CG TYR B 36 -9.768 -5.835 -8.303 1.00 33.21 C ATOM 1140 CD1 TYR B 36 -8.724 -6.543 -7.678 1.00 64.54 C ATOM 1141 CD2 TYR B 36 -9.476 -4.722 -9.107 1.00 33.03 C ATOM 1142 CE1 TYR B 36 -7.391 -6.120 -7.838 1.00 60.01 C ATOM 1143 CE2 TYR B 36 -8.154 -4.289 -9.260 1.00 33.34 C ATOM 1144 CZ TYR B 36 -7.104 -4.973 -8.616 1.00 1.32 C ATOM 1145 OH TYR B 36 -5.833 -4.505 -8.762 1.00 44.21 O ATOM 0 H TYR B 36 -11.498 -7.494 -5.928 1.00 53.02 H new ATOM 0 HA TYR B 36 -11.119 -4.712 -6.526 1.00 22.42 H new ATOM 0 HB2 TYR B 36 -11.314 -7.281 -8.001 1.00 30.22 H new ATOM 0 HB3 TYR B 36 -11.827 -5.855 -8.880 1.00 30.22 H new ATOM 0 HD1 TYR B 36 -8.946 -7.411 -7.075 1.00 64.54 H new ATOM 0 HD2 TYR B 36 -10.275 -4.197 -9.610 1.00 33.03 H new ATOM 0 HE1 TYR B 36 -6.589 -6.670 -7.368 1.00 60.01 H new ATOM 0 HE2 TYR B 36 -7.938 -3.427 -9.874 1.00 33.34 H new ATOM 0 HH TYR B 36 -5.841 -3.709 -9.334 1.00 44.21 H new ATOM 1154 N ASP B 37 -14.177 -5.907 -6.604 1.00 21.33 N ATOM 1155 CA ASP B 37 -15.570 -5.494 -6.713 1.00 75.45 C ATOM 1156 C ASP B 37 -15.934 -4.445 -5.670 1.00 64.22 C ATOM 1157 O ASP B 37 -16.355 -3.354 -6.042 1.00 13.24 O ATOM 1158 CB ASP B 37 -16.503 -6.696 -6.577 1.00 32.30 C ATOM 1159 CG ASP B 37 -17.965 -6.279 -6.549 1.00 11.33 C ATOM 1160 OD1 ASP B 37 -18.456 -5.712 -7.554 1.00 23.22 O ATOM 1161 OD2 ASP B 37 -18.649 -6.535 -5.536 1.00 22.24 O ATOM 0 H ASP B 37 -14.049 -6.873 -6.303 1.00 21.33 H new ATOM 0 HA ASP B 37 -15.694 -5.050 -7.701 1.00 75.45 H new ATOM 0 HB2 ASP B 37 -16.337 -7.381 -7.409 1.00 32.30 H new ATOM 0 HB3 ASP B 37 -16.263 -7.240 -5.663 1.00 32.30 H new ATOM 1165 N ILE B 38 -15.766 -4.757 -4.381 1.00 20.22 N ATOM 1166 CA ILE B 38 -16.088 -3.888 -3.248 1.00 62.41 C ATOM 1167 C ILE B 38 -15.436 -2.516 -3.416 1.00 60.23 C ATOM 1168 O ILE B 38 -16.128 -1.500 -3.508 1.00 23.01 O ATOM 1169 CB ILE B 38 -15.683 -4.562 -1.912 1.00 22.31 C ATOM 1170 CG1 ILE B 38 -16.363 -5.936 -1.705 1.00 5.34 C ATOM 1171 CG2 ILE B 38 -16.026 -3.651 -0.715 1.00 10.12 C ATOM 1172 CD1 ILE B 38 -15.620 -6.802 -0.681 1.00 11.04 C ATOM 0 H ILE B 38 -15.387 -5.658 -4.088 1.00 20.22 H new ATOM 0 HA ILE B 38 -17.167 -3.733 -3.222 1.00 62.41 H new ATOM 0 HB ILE B 38 -14.606 -4.722 -1.968 1.00 22.31 H new ATOM 0 HG12 ILE B 38 -17.390 -5.785 -1.373 1.00 5.34 H new ATOM 0 HG13 ILE B 38 -16.410 -6.463 -2.658 1.00 5.34 H new ATOM 0 HG21 ILE B 38 -15.734 -4.143 0.212 1.00 10.12 H new ATOM 0 HG22 ILE B 38 -15.489 -2.707 -0.810 1.00 10.12 H new ATOM 0 HG23 ILE B 38 -17.099 -3.458 -0.700 1.00 10.12 H new ATOM 0 HD11 ILE B 38 -16.135 -7.756 -0.570 1.00 11.04 H new ATOM 0 HD12 ILE B 38 -14.601 -6.978 -1.024 1.00 11.04 H new ATOM 0 HD13 ILE B 38 -15.596 -6.289 0.280 1.00 11.04 H new ATOM 1183 N PHE B 39 -14.103 -2.473 -3.457 1.00 21.13 N ATOM 1184 CA PHE B 39 -13.379 -1.218 -3.596 1.00 25.14 C ATOM 1185 C PHE B 39 -13.661 -0.555 -4.954 1.00 30.15 C ATOM 1186 O PHE B 39 -13.535 0.672 -5.061 1.00 51.24 O ATOM 1187 CB PHE B 39 -11.885 -1.463 -3.327 1.00 31.43 C ATOM 1188 CG PHE B 39 -11.599 -1.732 -1.855 1.00 65.11 C ATOM 1189 CD1 PHE B 39 -11.775 -3.020 -1.310 1.00 20.41 C ATOM 1190 CD2 PHE B 39 -11.229 -0.673 -1.005 1.00 1.40 C ATOM 1191 CE1 PHE B 39 -11.594 -3.244 0.065 1.00 34.13 C ATOM 1192 CE2 PHE B 39 -11.031 -0.898 0.368 1.00 23.54 C ATOM 1193 CZ PHE B 39 -11.226 -2.183 0.906 1.00 32.43 C ATOM 0 H PHE B 39 -13.506 -3.298 -3.395 1.00 21.13 H new ATOM 0 HA PHE B 39 -13.731 -0.503 -2.853 1.00 25.14 H new ATOM 0 HB2 PHE B 39 -11.545 -2.311 -3.922 1.00 31.43 H new ATOM 0 HB3 PHE B 39 -11.312 -0.595 -3.653 1.00 31.43 H new ATOM 0 HD1 PHE B 39 -12.051 -3.841 -1.955 1.00 20.41 H new ATOM 0 HD2 PHE B 39 -11.096 0.319 -1.411 1.00 1.40 H new ATOM 0 HE1 PHE B 39 -11.738 -4.233 0.475 1.00 34.13 H new ATOM 0 HE2 PHE B 39 -10.729 -0.084 1.010 1.00 23.54 H new ATOM 0 HZ PHE B 39 -11.093 -2.353 1.964 1.00 32.43 H new ATOM 1202 N GLY B 40 -14.081 -1.333 -5.957 1.00 54.11 N ATOM 1203 CA GLY B 40 -14.403 -0.888 -7.299 1.00 62.41 C ATOM 1204 C GLY B 40 -15.700 -0.094 -7.318 1.00 41.43 C ATOM 1205 O GLY B 40 -15.826 0.819 -8.138 1.00 44.42 O ATOM 0 H GLY B 40 -14.209 -2.338 -5.840 1.00 54.11 H new ATOM 0 HA2 GLY B 40 -13.591 -0.272 -7.686 1.00 62.41 H new ATOM 0 HA3 GLY B 40 -14.492 -1.750 -7.960 1.00 62.41 H new ATOM 1209 N LYS B 41 -16.648 -0.360 -6.406 1.00 75.51 N ATOM 1210 CA LYS B 41 -17.920 0.374 -6.341 1.00 15.23 C ATOM 1211 C LYS B 41 -17.661 1.854 -6.067 1.00 64.51 C ATOM 1212 O LYS B 41 -18.495 2.698 -6.410 1.00 53.11 O ATOM 1213 CB LYS B 41 -18.853 -0.181 -5.246 1.00 2.14 C ATOM 1214 CG LYS B 41 -19.104 -1.685 -5.391 1.00 51.41 C ATOM 1215 CD LYS B 41 -20.157 -2.225 -4.420 1.00 1.24 C ATOM 1216 CE LYS B 41 -20.151 -3.759 -4.368 1.00 11.30 C ATOM 1217 NZ LYS B 41 -20.274 -4.389 -5.699 1.00 61.41 N ATOM 0 H LYS B 41 -16.555 -1.087 -5.696 1.00 75.51 H new ATOM 0 HA LYS B 41 -18.411 0.249 -7.306 1.00 15.23 H new ATOM 0 HB2 LYS B 41 -18.416 0.018 -4.267 1.00 2.14 H new ATOM 0 HB3 LYS B 41 -19.806 0.348 -5.284 1.00 2.14 H new ATOM 0 HG2 LYS B 41 -19.421 -1.895 -6.412 1.00 51.41 H new ATOM 0 HG3 LYS B 41 -18.167 -2.219 -5.232 1.00 51.41 H new ATOM 0 HD2 LYS B 41 -19.970 -1.827 -3.423 1.00 1.24 H new ATOM 0 HD3 LYS B 41 -21.144 -1.875 -4.723 1.00 1.24 H new ATOM 0 HE2 LYS B 41 -19.227 -4.096 -3.898 1.00 11.30 H new ATOM 0 HE3 LYS B 41 -20.972 -4.098 -3.736 1.00 11.30 H new ATOM 0 HZ1 LYS B 41 -20.062 -5.404 -5.624 1.00 61.41 H new ATOM 0 HZ2 LYS B 41 -21.243 -4.264 -6.054 1.00 61.41 H new ATOM 0 HZ3 LYS B 41 -19.604 -3.943 -6.357 1.00 61.41 H new ATOM 1227 N TYR B 42 -16.520 2.183 -5.458 1.00 31.53 N ATOM 1228 CA TYR B 42 -16.140 3.547 -5.145 1.00 32.41 C ATOM 1229 C TYR B 42 -15.375 4.169 -6.315 1.00 2.31 C ATOM 1230 O TYR B 42 -15.741 5.270 -6.747 1.00 31.01 O ATOM 1231 CB TYR B 42 -15.352 3.594 -3.831 1.00 23.31 C ATOM 1232 CG TYR B 42 -16.011 2.867 -2.667 1.00 33.50 C ATOM 1233 CD1 TYR B 42 -17.375 3.070 -2.370 1.00 73.54 C ATOM 1234 CD2 TYR B 42 -15.270 1.948 -1.899 1.00 73.12 C ATOM 1235 CE1 TYR B 42 -17.999 2.345 -1.339 1.00 51.14 C ATOM 1236 CE2 TYR B 42 -15.881 1.233 -0.855 1.00 70.32 C ATOM 1237 CZ TYR B 42 -17.252 1.421 -0.576 1.00 12.23 C ATOM 1238 OH TYR B 42 -17.832 0.715 0.431 1.00 23.34 O ATOM 0 H TYR B 42 -15.828 1.492 -5.167 1.00 31.53 H new ATOM 0 HA TYR B 42 -17.037 4.148 -4.998 1.00 32.41 H new ATOM 0 HB2 TYR B 42 -14.365 3.162 -3.999 1.00 23.31 H new ATOM 0 HB3 TYR B 42 -15.200 4.637 -3.551 1.00 23.31 H new ATOM 0 HD1 TYR B 42 -17.945 3.789 -2.940 1.00 73.54 H new ATOM 0 HD2 TYR B 42 -14.223 1.791 -2.114 1.00 73.12 H new ATOM 0 HE1 TYR B 42 -19.048 2.495 -1.131 1.00 51.14 H new ATOM 0 HE2 TYR B 42 -15.301 0.539 -0.265 1.00 70.32 H new ATOM 0 HH TYR B 42 -17.623 -0.237 0.326 1.00 23.34 H new ATOM 1247 N GLY B 43 -14.387 3.478 -6.899 1.00 4.31 N ATOM 1248 CA GLY B 43 -13.633 4.055 -8.004 1.00 22.31 C ATOM 1249 C GLY B 43 -12.505 3.170 -8.545 1.00 44.34 C ATOM 1250 O GLY B 43 -12.390 2.013 -8.142 1.00 72.22 O ATOM 0 H GLY B 43 -14.100 2.538 -6.627 1.00 4.31 H new ATOM 0 HA2 GLY B 43 -14.322 4.278 -8.818 1.00 22.31 H new ATOM 0 HA3 GLY B 43 -13.207 5.004 -7.678 1.00 22.31 H new ATOM 1254 N PRO B 44 -11.668 3.723 -9.444 1.00 23.11 N ATOM 1255 CA PRO B 44 -10.556 3.042 -10.107 1.00 23.21 C ATOM 1256 C PRO B 44 -9.456 2.576 -9.154 1.00 42.23 C ATOM 1257 O PRO B 44 -8.728 3.376 -8.555 1.00 42.30 O ATOM 1258 CB PRO B 44 -10.018 4.057 -11.123 1.00 64.53 C ATOM 1259 CG PRO B 44 -10.412 5.401 -10.518 1.00 13.43 C ATOM 1260 CD PRO B 44 -11.772 5.087 -9.928 1.00 72.15 C ATOM 0 HA PRO B 44 -10.904 2.120 -10.572 1.00 23.21 H new ATOM 0 HB2 PRO B 44 -8.938 3.971 -11.244 1.00 64.53 H new ATOM 0 HB3 PRO B 44 -10.462 3.914 -12.108 1.00 64.53 H new ATOM 0 HG2 PRO B 44 -9.703 5.731 -9.759 1.00 13.43 H new ATOM 0 HG3 PRO B 44 -10.464 6.189 -11.270 1.00 13.43 H new ATOM 0 HD2 PRO B 44 -12.019 5.775 -9.119 1.00 72.15 H new ATOM 0 HD3 PRO B 44 -12.558 5.181 -10.677 1.00 72.15 H new ATOM 1265 N ILE B 45 -9.275 1.261 -9.093 1.00 34.30 N ATOM 1266 CA ILE B 45 -8.298 0.604 -8.248 1.00 73.12 C ATOM 1267 C ILE B 45 -6.940 0.600 -8.939 1.00 71.14 C ATOM 1268 O ILE B 45 -6.806 0.133 -10.071 1.00 52.05 O ATOM 1269 CB ILE B 45 -8.783 -0.829 -7.933 1.00 63.32 C ATOM 1270 CG1 ILE B 45 -10.149 -0.795 -7.202 1.00 65.21 C ATOM 1271 CG2 ILE B 45 -7.730 -1.591 -7.103 1.00 45.34 C ATOM 1272 CD1 ILE B 45 -10.757 -2.174 -6.990 1.00 35.30 C ATOM 0 H ILE B 45 -9.824 0.607 -9.650 1.00 34.30 H new ATOM 0 HA ILE B 45 -8.189 1.143 -7.307 1.00 73.12 H new ATOM 0 HB ILE B 45 -8.918 -1.361 -8.875 1.00 63.32 H new ATOM 0 HG12 ILE B 45 -10.023 -0.309 -6.234 1.00 65.21 H new ATOM 0 HG13 ILE B 45 -10.845 -0.184 -7.777 1.00 65.21 H new ATOM 0 HG21 ILE B 45 -8.092 -2.597 -6.892 1.00 45.34 H new ATOM 0 HG22 ILE B 45 -6.798 -1.650 -7.664 1.00 45.34 H new ATOM 0 HG23 ILE B 45 -7.556 -1.064 -6.165 1.00 45.34 H new ATOM 0 HD11 ILE B 45 -11.712 -2.075 -6.473 1.00 35.30 H new ATOM 0 HD12 ILE B 45 -10.915 -2.654 -7.956 1.00 35.30 H new ATOM 0 HD13 ILE B 45 -10.080 -2.782 -6.389 1.00 35.30 H new ATOM 1283 N ARG B 46 -5.906 1.108 -8.265 1.00 70.35 N ATOM 1284 CA ARG B 46 -4.552 1.132 -8.806 1.00 14.51 C ATOM 1285 C ARG B 46 -3.910 -0.212 -8.488 1.00 44.30 C ATOM 1286 O ARG B 46 -3.540 -0.918 -9.429 1.00 23.12 O ATOM 1287 CB ARG B 46 -3.780 2.345 -8.272 1.00 43.11 C ATOM 1288 CG ARG B 46 -2.288 2.374 -8.592 1.00 71.14 C ATOM 1289 CD ARG B 46 -1.974 2.444 -10.091 1.00 73.15 C ATOM 1290 NE ARG B 46 -0.537 2.650 -10.254 1.00 41.44 N ATOM 1291 CZ ARG B 46 0.168 2.806 -11.373 1.00 62.35 C ATOM 1292 NH1 ARG B 46 -0.411 2.800 -12.567 1.00 73.13 N ATOM 1293 NH2 ARG B 46 1.478 2.959 -11.272 1.00 31.34 N ATOM 0 H ARG B 46 -5.987 1.512 -7.332 1.00 70.35 H new ATOM 0 HA ARG B 46 -4.548 1.258 -9.889 1.00 14.51 H new ATOM 0 HB2 ARG B 46 -4.237 3.249 -8.675 1.00 43.11 H new ATOM 0 HB3 ARG B 46 -3.901 2.382 -7.189 1.00 43.11 H new ATOM 0 HG2 ARG B 46 -1.837 3.233 -8.096 1.00 71.14 H new ATOM 0 HG3 ARG B 46 -1.820 1.483 -8.174 1.00 71.14 H new ATOM 0 HD2 ARG B 46 -2.283 1.524 -10.586 1.00 73.15 H new ATOM 0 HD3 ARG B 46 -2.529 3.259 -10.557 1.00 73.15 H new ATOM 0 HE ARG B 46 0.002 2.678 -9.389 1.00 41.44 H new ATOM 0 HH11 ARG B 46 -1.420 2.674 -12.644 1.00 73.13 H new ATOM 0 HH12 ARG B 46 0.153 2.922 -13.408 1.00 73.13 H new ATOM 0 HH21 ARG B 46 1.923 2.955 -10.354 1.00 31.34 H new ATOM 0 HH22 ARG B 46 2.044 3.081 -12.112 1.00 31.34 H new ATOM 1304 N GLN B 47 -3.775 -0.585 -7.210 1.00 52.21 N ATOM 1305 CA GLN B 47 -3.184 -1.860 -6.803 1.00 3.11 C ATOM 1306 C GLN B 47 -3.689 -2.235 -5.403 1.00 24.24 C ATOM 1307 O GLN B 47 -3.936 -1.366 -4.565 1.00 24.52 O ATOM 1308 CB GLN B 47 -1.641 -1.764 -6.846 1.00 0.43 C ATOM 1309 CG GLN B 47 -0.961 -3.142 -6.718 1.00 33.21 C ATOM 1310 CD GLN B 47 0.551 -3.106 -6.942 1.00 71.45 C ATOM 1311 OE1 GLN B 47 1.316 -2.663 -6.092 1.00 74.10 O ATOM 1312 NE2 GLN B 47 1.033 -3.621 -8.063 1.00 33.34 N ATOM 0 H GLN B 47 -4.075 -0.005 -6.426 1.00 52.21 H new ATOM 0 HA GLN B 47 -3.486 -2.646 -7.495 1.00 3.11 H new ATOM 0 HB2 GLN B 47 -1.335 -1.297 -7.782 1.00 0.43 H new ATOM 0 HB3 GLN B 47 -1.298 -1.116 -6.039 1.00 0.43 H new ATOM 0 HG2 GLN B 47 -1.163 -3.546 -5.726 1.00 33.21 H new ATOM 0 HG3 GLN B 47 -1.410 -3.827 -7.438 1.00 33.21 H new ATOM 0 HE21 GLN B 47 0.397 -3.989 -8.770 1.00 33.34 H new ATOM 0 HE22 GLN B 47 2.041 -3.649 -8.219 1.00 33.34 H new ATOM 1319 N ILE B 48 -3.794 -3.538 -5.134 1.00 74.13 N ATOM 1320 CA ILE B 48 -4.248 -4.144 -3.881 1.00 73.44 C ATOM 1321 C ILE B 48 -3.218 -5.195 -3.448 1.00 62.11 C ATOM 1322 O ILE B 48 -2.607 -5.874 -4.282 1.00 43.40 O ATOM 1323 CB ILE B 48 -5.664 -4.754 -4.092 1.00 74.05 C ATOM 1324 CG1 ILE B 48 -6.669 -3.602 -4.328 1.00 43.00 C ATOM 1325 CG2 ILE B 48 -6.153 -5.629 -2.925 1.00 15.54 C ATOM 1326 CD1 ILE B 48 -8.149 -3.999 -4.413 1.00 12.43 C ATOM 0 H ILE B 48 -3.549 -4.242 -5.830 1.00 74.13 H new ATOM 0 HA ILE B 48 -4.328 -3.401 -3.087 1.00 73.44 H new ATOM 0 HB ILE B 48 -5.597 -5.415 -4.956 1.00 74.05 H new ATOM 0 HG12 ILE B 48 -6.555 -2.877 -3.522 1.00 43.00 H new ATOM 0 HG13 ILE B 48 -6.397 -3.095 -5.254 1.00 43.00 H new ATOM 0 HG21 ILE B 48 -7.147 -6.015 -3.151 1.00 15.54 H new ATOM 0 HG22 ILE B 48 -5.464 -6.462 -2.781 1.00 15.54 H new ATOM 0 HG23 ILE B 48 -6.195 -5.031 -2.015 1.00 15.54 H new ATOM 0 HD11 ILE B 48 -8.755 -3.109 -4.580 1.00 12.43 H new ATOM 0 HD12 ILE B 48 -8.292 -4.696 -5.239 1.00 12.43 H new ATOM 0 HD13 ILE B 48 -8.452 -4.475 -3.480 1.00 12.43 H new ATOM 1337 N ARG B 49 -3.001 -5.322 -2.139 1.00 34.30 N ATOM 1338 CA ARG B 49 -2.085 -6.279 -1.514 1.00 70.13 C ATOM 1339 C ARG B 49 -2.768 -6.757 -0.243 1.00 14.33 C ATOM 1340 O ARG B 49 -3.612 -6.032 0.295 1.00 1.40 O ATOM 1341 CB ARG B 49 -0.710 -5.663 -1.203 1.00 1.31 C ATOM 1342 CG ARG B 49 -0.074 -4.977 -2.420 1.00 63.11 C ATOM 1343 CD ARG B 49 1.321 -4.461 -2.093 1.00 53.13 C ATOM 1344 NE ARG B 49 1.952 -3.861 -3.279 1.00 23.15 N ATOM 1345 CZ ARG B 49 3.230 -4.029 -3.648 1.00 71.54 C ATOM 1346 NH1 ARG B 49 4.080 -4.684 -2.862 1.00 41.44 N ATOM 1347 NH2 ARG B 49 3.626 -3.543 -4.815 1.00 20.02 N ATOM 0 H ARG B 49 -3.479 -4.736 -1.455 1.00 34.30 H new ATOM 0 HA ARG B 49 -1.883 -7.104 -2.197 1.00 70.13 H new ATOM 0 HB2 ARG B 49 -0.817 -4.937 -0.397 1.00 1.31 H new ATOM 0 HB3 ARG B 49 -0.041 -6.444 -0.842 1.00 1.31 H new ATOM 0 HG2 ARG B 49 -0.019 -5.681 -3.250 1.00 63.11 H new ATOM 0 HG3 ARG B 49 -0.704 -4.149 -2.745 1.00 63.11 H new ATOM 0 HD2 ARG B 49 1.261 -3.721 -1.295 1.00 53.13 H new ATOM 0 HD3 ARG B 49 1.938 -5.280 -1.723 1.00 53.13 H new ATOM 0 HE ARG B 49 1.369 -3.268 -3.869 1.00 23.15 H new ATOM 0 HH11 ARG B 49 3.761 -5.063 -1.970 1.00 41.44 H new ATOM 0 HH12 ARG B 49 5.050 -4.807 -3.151 1.00 41.44 H new ATOM 0 HH21 ARG B 49 2.963 -3.052 -5.414 1.00 20.02 H new ATOM 0 HH22 ARG B 49 4.594 -3.660 -5.114 1.00 20.02 H new ATOM 1358 N VAL B 50 -2.436 -7.946 0.238 1.00 35.42 N ATOM 1359 CA VAL B 50 -3.023 -8.537 1.433 1.00 53.22 C ATOM 1360 C VAL B 50 -1.936 -9.264 2.225 1.00 54.41 C ATOM 1361 O VAL B 50 -0.847 -9.516 1.702 1.00 31.21 O ATOM 1362 CB VAL B 50 -4.173 -9.494 1.021 1.00 11.12 C ATOM 1363 CG1 VAL B 50 -5.339 -8.758 0.333 1.00 71.43 C ATOM 1364 CG2 VAL B 50 -3.709 -10.629 0.088 1.00 22.32 C ATOM 0 H VAL B 50 -1.734 -8.541 -0.202 1.00 35.42 H new ATOM 0 HA VAL B 50 -3.444 -7.762 2.074 1.00 53.22 H new ATOM 0 HB VAL B 50 -4.515 -9.922 1.963 1.00 11.12 H new ATOM 0 HG11 VAL B 50 -6.115 -9.475 0.066 1.00 71.43 H new ATOM 0 HG12 VAL B 50 -5.752 -8.013 1.014 1.00 71.43 H new ATOM 0 HG13 VAL B 50 -4.976 -8.264 -0.568 1.00 71.43 H new ATOM 0 HG21 VAL B 50 -4.559 -11.263 -0.164 1.00 22.32 H new ATOM 0 HG22 VAL B 50 -3.292 -10.202 -0.824 1.00 22.32 H new ATOM 0 HG23 VAL B 50 -2.948 -11.225 0.591 1.00 22.32 H new ATOM 1374 N GLY B 51 -2.224 -9.610 3.479 1.00 43.40 N ATOM 1375 CA GLY B 51 -1.286 -10.324 4.324 1.00 30.15 C ATOM 1376 C GLY B 51 -0.962 -11.695 3.727 1.00 14.31 C ATOM 1377 O GLY B 51 -1.806 -12.325 3.078 1.00 33.33 O ATOM 0 H GLY B 51 -3.114 -9.401 3.931 1.00 43.40 H new ATOM 0 HA2 GLY B 51 -0.370 -9.743 4.433 1.00 30.15 H new ATOM 0 HA3 GLY B 51 -1.707 -10.446 5.322 1.00 30.15 H new ATOM 1381 N ASN B 52 0.277 -12.146 3.912 1.00 52.51 N ATOM 1382 CA ASN B 52 0.770 -13.438 3.435 1.00 45.41 C ATOM 1383 C ASN B 52 0.871 -14.368 4.636 1.00 25.32 C ATOM 1384 O ASN B 52 0.354 -15.484 4.625 1.00 0.32 O ATOM 1385 CB ASN B 52 2.138 -13.270 2.756 1.00 3.03 C ATOM 1386 CG ASN B 52 2.572 -14.476 1.929 1.00 74.15 C ATOM 1387 OD1 ASN B 52 1.799 -15.363 1.581 1.00 51.13 O ATOM 1388 ND2 ASN B 52 3.826 -14.497 1.526 1.00 24.54 N ATOM 0 H ASN B 52 0.986 -11.609 4.411 1.00 52.51 H new ATOM 0 HA ASN B 52 0.089 -13.858 2.695 1.00 45.41 H new ATOM 0 HB2 ASN B 52 2.107 -12.392 2.111 1.00 3.03 H new ATOM 0 HB3 ASN B 52 2.890 -13.077 3.521 1.00 3.03 H new ATOM 0 HD21 ASN B 52 4.156 -15.251 0.924 1.00 24.54 H new ATOM 0 HD22 ASN B 52 4.467 -13.759 1.816 1.00 24.54 H new ATOM 1394 N THR B 53 1.564 -13.907 5.676 1.00 23.34 N ATOM 1395 CA THR B 53 1.759 -14.639 6.918 1.00 74.42 C ATOM 1396 C THR B 53 0.430 -14.722 7.689 1.00 1.41 C ATOM 1397 O THR B 53 -0.438 -13.858 7.492 1.00 72.40 O ATOM 1398 CB THR B 53 2.841 -13.918 7.743 1.00 51.15 C ATOM 1399 OG1 THR B 53 2.484 -12.599 8.106 1.00 33.12 O ATOM 1400 CG2 THR B 53 4.180 -13.824 7.009 1.00 35.23 C ATOM 0 H THR B 53 2.015 -12.992 5.674 1.00 23.34 H new ATOM 0 HA THR B 53 2.087 -15.658 6.715 1.00 74.42 H new ATOM 0 HB THR B 53 2.935 -14.537 8.635 1.00 51.15 H new ATOM 0 HG1 THR B 53 1.815 -12.257 7.477 1.00 33.12 H new ATOM 0 HG21 THR B 53 4.904 -13.306 7.638 1.00 35.23 H new ATOM 0 HG22 THR B 53 4.544 -14.827 6.786 1.00 35.23 H new ATOM 0 HG23 THR B 53 4.047 -13.271 6.079 1.00 35.23 H new ATOM 1408 N PRO B 54 0.250 -15.704 8.587 1.00 61.14 N ATOM 1409 CA PRO B 54 -0.977 -15.813 9.363 1.00 30.43 C ATOM 1410 C PRO B 54 -1.166 -14.555 10.213 1.00 5.41 C ATOM 1411 O PRO B 54 -2.281 -14.045 10.267 1.00 62.02 O ATOM 1412 CB PRO B 54 -0.840 -17.083 10.209 1.00 21.43 C ATOM 1413 CG PRO B 54 0.665 -17.363 10.230 1.00 25.11 C ATOM 1414 CD PRO B 54 1.171 -16.782 8.915 1.00 15.43 C ATOM 0 HA PRO B 54 -1.863 -15.888 8.733 1.00 30.43 H new ATOM 0 HB2 PRO B 54 -1.231 -16.935 11.216 1.00 21.43 H new ATOM 0 HB3 PRO B 54 -1.393 -17.914 9.771 1.00 21.43 H new ATOM 0 HG2 PRO B 54 1.146 -16.890 11.086 1.00 25.11 H new ATOM 0 HG3 PRO B 54 0.871 -18.431 10.299 1.00 25.11 H new ATOM 0 HD2 PRO B 54 2.190 -16.410 9.017 1.00 15.43 H new ATOM 0 HD3 PRO B 54 1.185 -17.539 8.131 1.00 15.43 H new ATOM 1419 N GLU B 55 -0.086 -14.009 10.787 1.00 2.53 N ATOM 1420 CA GLU B 55 -0.109 -12.806 11.621 1.00 10.11 C ATOM 1421 C GLU B 55 -0.459 -11.531 10.842 1.00 12.22 C ATOM 1422 O GLU B 55 -0.591 -10.468 11.453 1.00 53.10 O ATOM 1423 CB GLU B 55 1.241 -12.651 12.338 1.00 75.33 C ATOM 1424 CG GLU B 55 1.420 -13.725 13.418 1.00 51.41 C ATOM 1425 CD GLU B 55 2.830 -13.694 14.006 1.00 52.34 C ATOM 1426 OE1 GLU B 55 3.785 -14.114 13.309 1.00 52.51 O ATOM 1427 OE2 GLU B 55 2.983 -13.314 15.184 1.00 41.02 O ATOM 0 H GLU B 55 0.849 -14.403 10.680 1.00 2.53 H new ATOM 0 HA GLU B 55 -0.907 -12.938 12.352 1.00 10.11 H new ATOM 0 HB2 GLU B 55 2.052 -12.722 11.613 1.00 75.33 H new ATOM 0 HB3 GLU B 55 1.304 -11.662 12.791 1.00 75.33 H new ATOM 0 HG2 GLU B 55 0.689 -13.570 14.212 1.00 51.41 H new ATOM 0 HG3 GLU B 55 1.223 -14.709 12.991 1.00 51.41 H new ATOM 1432 N THR B 56 -0.562 -11.579 9.513 1.00 31.03 N ATOM 1433 CA THR B 56 -0.934 -10.417 8.704 1.00 34.23 C ATOM 1434 C THR B 56 -2.405 -10.531 8.283 1.00 32.42 C ATOM 1435 O THR B 56 -2.922 -9.658 7.587 1.00 2.03 O ATOM 1436 CB THR B 56 0.038 -10.196 7.530 1.00 14.13 C ATOM 1437 OG1 THR B 56 0.380 -11.396 6.854 1.00 64.13 O ATOM 1438 CG2 THR B 56 1.332 -9.540 8.011 1.00 52.21 C ATOM 0 H THR B 56 -0.390 -12.424 8.967 1.00 31.03 H new ATOM 0 HA THR B 56 -0.842 -9.514 9.307 1.00 34.23 H new ATOM 0 HB THR B 56 -0.492 -9.546 6.833 1.00 14.13 H new ATOM 0 HG1 THR B 56 -0.227 -12.113 7.133 1.00 64.13 H new ATOM 0 HG21 THR B 56 2.003 -9.394 7.164 1.00 52.21 H new ATOM 0 HG22 THR B 56 1.104 -8.575 8.464 1.00 52.21 H new ATOM 0 HG23 THR B 56 1.813 -10.182 8.748 1.00 52.21 H new ATOM 1446 N ARG B 57 -3.092 -11.634 8.597 1.00 54.44 N ATOM 1447 CA ARG B 57 -4.495 -11.752 8.226 1.00 52.20 C ATOM 1448 C ARG B 57 -5.301 -10.776 9.080 1.00 71.24 C ATOM 1449 O ARG B 57 -4.943 -10.498 10.226 1.00 31.34 O ATOM 1450 CB ARG B 57 -4.977 -13.192 8.392 1.00 15.44 C ATOM 1451 CG ARG B 57 -4.300 -14.132 7.394 1.00 62.24 C ATOM 1452 CD ARG B 57 -5.017 -15.481 7.371 1.00 25.13 C ATOM 1453 NE ARG B 57 -4.506 -16.310 6.269 1.00 64.11 N ATOM 1454 CZ ARG B 57 -4.011 -17.545 6.363 1.00 63.12 C ATOM 1455 NH1 ARG B 57 -4.164 -18.242 7.483 1.00 71.22 N ATOM 1456 NH2 ARG B 57 -3.376 -18.064 5.324 1.00 63.14 N ATOM 0 H ARG B 57 -2.707 -12.437 9.095 1.00 54.44 H new ATOM 0 HA ARG B 57 -4.632 -11.499 7.175 1.00 52.20 H new ATOM 0 HB2 ARG B 57 -4.772 -13.530 9.408 1.00 15.44 H new ATOM 0 HB3 ARG B 57 -6.058 -13.232 8.255 1.00 15.44 H new ATOM 0 HG2 ARG B 57 -4.313 -13.688 6.399 1.00 62.24 H new ATOM 0 HG3 ARG B 57 -3.254 -14.272 7.667 1.00 62.24 H new ATOM 0 HD2 ARG B 57 -4.870 -15.995 8.321 1.00 25.13 H new ATOM 0 HD3 ARG B 57 -6.090 -15.329 7.254 1.00 25.13 H new ATOM 0 HE ARG B 57 -4.533 -15.898 5.336 1.00 64.11 H new ATOM 0 HH11 ARG B 57 -4.661 -17.833 8.274 1.00 71.22 H new ATOM 0 HH12 ARG B 57 -3.784 -19.186 7.552 1.00 71.22 H new ATOM 0 HH21 ARG B 57 -3.271 -17.521 4.467 1.00 63.14 H new ATOM 0 HH22 ARG B 57 -2.992 -19.007 5.380 1.00 63.14 H new ATOM 1467 N GLY B 58 -6.405 -10.284 8.529 1.00 54.03 N ATOM 1468 CA GLY B 58 -7.295 -9.353 9.200 1.00 2.50 C ATOM 1469 C GLY B 58 -7.046 -7.892 8.833 1.00 65.13 C ATOM 1470 O GLY B 58 -7.825 -7.041 9.270 1.00 41.02 O ATOM 0 H GLY B 58 -6.709 -10.527 7.586 1.00 54.03 H new ATOM 0 HA2 GLY B 58 -8.326 -9.609 8.955 1.00 2.50 H new ATOM 0 HA3 GLY B 58 -7.185 -9.471 10.278 1.00 2.50 H new ATOM 1474 N THR B 59 -5.990 -7.557 8.087 1.00 33.24 N ATOM 1475 CA THR B 59 -5.680 -6.194 7.654 1.00 13.04 C ATOM 1476 C THR B 59 -5.168 -6.278 6.212 1.00 3.34 C ATOM 1477 O THR B 59 -4.921 -7.385 5.717 1.00 42.21 O ATOM 1478 CB THR B 59 -4.701 -5.472 8.613 1.00 3.21 C ATOM 1479 OG1 THR B 59 -3.394 -6.004 8.583 1.00 0.22 O ATOM 1480 CG2 THR B 59 -5.143 -5.523 10.077 1.00 44.21 C ATOM 0 H THR B 59 -5.311 -8.244 7.760 1.00 33.24 H new ATOM 0 HA THR B 59 -6.577 -5.575 7.685 1.00 13.04 H new ATOM 0 HB THR B 59 -4.707 -4.447 8.243 1.00 3.21 H new ATOM 0 HG1 THR B 59 -2.762 -5.338 8.926 1.00 0.22 H new ATOM 0 HG21 THR B 59 -4.414 -4.999 10.696 1.00 44.21 H new ATOM 0 HG22 THR B 59 -6.117 -5.044 10.180 1.00 44.21 H new ATOM 0 HG23 THR B 59 -5.213 -6.562 10.400 1.00 44.21 H new ATOM 1488 N ALA B 60 -5.151 -5.160 5.481 1.00 61.24 N ATOM 1489 CA ALA B 60 -4.660 -5.095 4.109 1.00 61.30 C ATOM 1490 C ALA B 60 -4.449 -3.631 3.696 1.00 24.15 C ATOM 1491 O ALA B 60 -4.856 -2.728 4.426 1.00 4.41 O ATOM 1492 CB ALA B 60 -5.632 -5.794 3.155 1.00 60.11 C ATOM 0 H ALA B 60 -5.484 -4.263 5.835 1.00 61.24 H new ATOM 0 HA ALA B 60 -3.703 -5.614 4.053 1.00 61.30 H new ATOM 0 HB1 ALA B 60 -5.248 -5.735 2.137 1.00 60.11 H new ATOM 0 HB2 ALA B 60 -5.736 -6.840 3.443 1.00 60.11 H new ATOM 0 HB3 ALA B 60 -6.605 -5.306 3.205 1.00 60.11 H new ATOM 1498 N TYR B 61 -3.878 -3.381 2.512 1.00 41.52 N ATOM 1499 CA TYR B 61 -3.636 -2.030 1.991 1.00 11.31 C ATOM 1500 C TYR B 61 -4.243 -1.900 0.598 1.00 43.15 C ATOM 1501 O TYR B 61 -4.178 -2.852 -0.194 1.00 20.15 O ATOM 1502 CB TYR B 61 -2.136 -1.725 1.909 1.00 14.51 C ATOM 1503 CG TYR B 61 -1.409 -1.635 3.232 1.00 63.52 C ATOM 1504 CD1 TYR B 61 -1.365 -0.415 3.934 1.00 42.42 C ATOM 1505 CD2 TYR B 61 -0.743 -2.765 3.740 1.00 13.30 C ATOM 1506 CE1 TYR B 61 -0.665 -0.326 5.151 1.00 31.22 C ATOM 1507 CE2 TYR B 61 -0.052 -2.679 4.959 1.00 71.52 C ATOM 1508 CZ TYR B 61 -0.012 -1.466 5.674 1.00 54.45 C ATOM 1509 OH TYR B 61 0.658 -1.422 6.853 1.00 1.12 O ATOM 0 H TYR B 61 -3.567 -4.120 1.881 1.00 41.52 H new ATOM 0 HA TYR B 61 -4.100 -1.319 2.675 1.00 11.31 H new ATOM 0 HB2 TYR B 61 -1.660 -2.498 1.306 1.00 14.51 H new ATOM 0 HB3 TYR B 61 -2.005 -0.782 1.379 1.00 14.51 H new ATOM 0 HD1 TYR B 61 -1.869 0.454 3.537 1.00 42.42 H new ATOM 0 HD2 TYR B 61 -0.763 -3.696 3.194 1.00 13.30 H new ATOM 0 HE1 TYR B 61 -0.626 0.612 5.685 1.00 31.22 H new ATOM 0 HE2 TYR B 61 0.453 -3.549 5.352 1.00 71.52 H new ATOM 0 HH TYR B 61 0.625 -2.303 7.281 1.00 1.12 H new ATOM 1518 N VAL B 62 -4.774 -0.729 0.246 1.00 3.12 N ATOM 1519 CA VAL B 62 -5.397 -0.460 -1.050 1.00 10.43 C ATOM 1520 C VAL B 62 -4.865 0.875 -1.581 1.00 20.51 C ATOM 1521 O VAL B 62 -4.633 1.805 -0.802 1.00 44.32 O ATOM 1522 CB VAL B 62 -6.934 -0.471 -0.871 1.00 10.34 C ATOM 1523 CG1 VAL B 62 -7.667 -0.078 -2.153 1.00 74.14 C ATOM 1524 CG2 VAL B 62 -7.441 -1.856 -0.432 1.00 44.30 C ATOM 0 H VAL B 62 -4.783 0.078 0.869 1.00 3.12 H new ATOM 0 HA VAL B 62 -5.150 -1.225 -1.786 1.00 10.43 H new ATOM 0 HB VAL B 62 -7.147 0.265 -0.096 1.00 10.34 H new ATOM 0 HG11 VAL B 62 -8.743 -0.100 -1.978 1.00 74.14 H new ATOM 0 HG12 VAL B 62 -7.368 0.927 -2.449 1.00 74.14 H new ATOM 0 HG13 VAL B 62 -7.414 -0.781 -2.947 1.00 74.14 H new ATOM 0 HG21 VAL B 62 -8.524 -1.827 -0.316 1.00 44.30 H new ATOM 0 HG22 VAL B 62 -7.177 -2.596 -1.187 1.00 44.30 H new ATOM 0 HG23 VAL B 62 -6.981 -2.127 0.518 1.00 44.30 H new ATOM 1534 N VAL B 63 -4.620 0.954 -2.891 1.00 51.25 N ATOM 1535 CA VAL B 63 -4.131 2.134 -3.588 1.00 0.51 C ATOM 1536 C VAL B 63 -5.095 2.376 -4.766 1.00 11.25 C ATOM 1537 O VAL B 63 -5.401 1.421 -5.484 1.00 22.42 O ATOM 1538 CB VAL B 63 -2.682 1.906 -4.074 1.00 35.55 C ATOM 1539 CG1 VAL B 63 -2.051 3.224 -4.540 1.00 60.33 C ATOM 1540 CG2 VAL B 63 -1.763 1.304 -2.997 1.00 65.25 C ATOM 0 H VAL B 63 -4.765 0.161 -3.516 1.00 51.25 H new ATOM 0 HA VAL B 63 -4.105 3.006 -2.935 1.00 0.51 H new ATOM 0 HB VAL B 63 -2.764 1.194 -4.896 1.00 35.55 H new ATOM 0 HG11 VAL B 63 -1.031 3.040 -4.878 1.00 60.33 H new ATOM 0 HG12 VAL B 63 -2.636 3.637 -5.362 1.00 60.33 H new ATOM 0 HG13 VAL B 63 -2.037 3.933 -3.712 1.00 60.33 H new ATOM 0 HG21 VAL B 63 -0.762 1.171 -3.406 1.00 65.25 H new ATOM 0 HG22 VAL B 63 -1.718 1.976 -2.140 1.00 65.25 H new ATOM 0 HG23 VAL B 63 -2.157 0.338 -2.681 1.00 65.25 H new ATOM 1550 N TYR B 64 -5.598 3.595 -4.956 1.00 11.41 N ATOM 1551 CA TYR B 64 -6.500 4.018 -6.036 1.00 63.00 C ATOM 1552 C TYR B 64 -5.665 4.820 -7.048 1.00 12.34 C ATOM 1553 O TYR B 64 -4.514 5.176 -6.766 1.00 72.45 O ATOM 1554 CB TYR B 64 -7.654 4.880 -5.498 1.00 15.42 C ATOM 1555 CG TYR B 64 -8.808 4.132 -4.860 1.00 25.55 C ATOM 1556 CD1 TYR B 64 -8.791 3.814 -3.488 1.00 5.15 C ATOM 1557 CD2 TYR B 64 -9.919 3.767 -5.643 1.00 11.25 C ATOM 1558 CE1 TYR B 64 -9.866 3.106 -2.917 1.00 24.12 C ATOM 1559 CE2 TYR B 64 -10.967 3.016 -5.092 1.00 4.05 C ATOM 1560 CZ TYR B 64 -10.948 2.684 -3.723 1.00 4.41 C ATOM 1561 OH TYR B 64 -11.960 1.955 -3.194 1.00 11.40 O ATOM 0 H TYR B 64 -5.375 4.363 -4.323 1.00 11.41 H new ATOM 0 HA TYR B 64 -6.948 3.143 -6.506 1.00 63.00 H new ATOM 0 HB2 TYR B 64 -7.248 5.575 -4.763 1.00 15.42 H new ATOM 0 HB3 TYR B 64 -8.047 5.478 -6.320 1.00 15.42 H new ATOM 0 HD1 TYR B 64 -7.954 4.113 -2.874 1.00 5.15 H new ATOM 0 HD2 TYR B 64 -9.965 4.069 -6.679 1.00 11.25 H new ATOM 0 HE1 TYR B 64 -9.864 2.885 -1.860 1.00 24.12 H new ATOM 0 HE2 TYR B 64 -11.787 2.693 -5.716 1.00 4.05 H new ATOM 0 HH TYR B 64 -12.471 1.533 -3.916 1.00 11.40 H new ATOM 1570 N GLU B 65 -6.197 5.073 -8.247 1.00 71.14 N ATOM 1571 CA GLU B 65 -5.477 5.819 -9.278 1.00 35.11 C ATOM 1572 C GLU B 65 -5.249 7.278 -8.872 1.00 71.25 C ATOM 1573 O GLU B 65 -4.106 7.651 -8.612 1.00 42.22 O ATOM 1574 CB GLU B 65 -6.149 5.680 -10.649 1.00 63.11 C ATOM 1575 CG GLU B 65 -5.974 4.262 -11.204 1.00 23.33 C ATOM 1576 CD GLU B 65 -6.176 4.208 -12.718 1.00 4.03 C ATOM 1577 OE1 GLU B 65 -7.281 4.548 -13.205 1.00 31.32 O ATOM 1578 OE2 GLU B 65 -5.204 3.804 -13.401 1.00 64.33 O ATOM 0 H GLU B 65 -7.130 4.769 -8.527 1.00 71.14 H new ATOM 0 HA GLU B 65 -4.487 5.374 -9.374 1.00 35.11 H new ATOM 0 HB2 GLU B 65 -7.210 5.913 -10.563 1.00 63.11 H new ATOM 0 HB3 GLU B 65 -5.720 6.402 -11.344 1.00 63.11 H new ATOM 0 HG2 GLU B 65 -4.976 3.898 -10.959 1.00 23.33 H new ATOM 0 HG3 GLU B 65 -6.686 3.593 -10.720 1.00 23.33 H new ATOM 1583 N ASP B 66 -6.289 8.113 -8.807 1.00 53.02 N ATOM 1584 CA ASP B 66 -6.120 9.519 -8.426 1.00 40.20 C ATOM 1585 C ASP B 66 -6.460 9.721 -6.959 1.00 23.30 C ATOM 1586 O ASP B 66 -7.320 9.039 -6.398 1.00 51.11 O ATOM 1587 CB ASP B 66 -6.968 10.463 -9.286 1.00 1.12 C ATOM 1588 CG ASP B 66 -6.375 10.598 -10.681 1.00 42.10 C ATOM 1589 OD1 ASP B 66 -5.296 11.223 -10.806 1.00 73.25 O ATOM 1590 OD2 ASP B 66 -6.946 10.035 -11.642 1.00 51.42 O ATOM 0 H ASP B 66 -7.251 7.843 -9.012 1.00 53.02 H new ATOM 0 HA ASP B 66 -5.072 9.766 -8.596 1.00 40.20 H new ATOM 0 HB2 ASP B 66 -7.988 10.084 -9.354 1.00 1.12 H new ATOM 0 HB3 ASP B 66 -7.023 11.443 -8.813 1.00 1.12 H new ATOM 1594 N ILE B 67 -5.824 10.715 -6.340 1.00 72.35 N ATOM 1595 CA ILE B 67 -6.031 11.052 -4.935 1.00 25.23 C ATOM 1596 C ILE B 67 -7.481 11.474 -4.658 1.00 73.21 C ATOM 1597 O ILE B 67 -8.001 11.191 -3.582 1.00 64.20 O ATOM 1598 CB ILE B 67 -5.002 12.122 -4.502 1.00 51.32 C ATOM 1599 CG1 ILE B 67 -5.179 12.471 -3.007 1.00 1.35 C ATOM 1600 CG2 ILE B 67 -5.053 13.399 -5.368 1.00 13.34 C ATOM 1601 CD1 ILE B 67 -3.999 13.266 -2.437 1.00 62.24 C ATOM 0 H ILE B 67 -5.143 11.315 -6.807 1.00 72.35 H new ATOM 0 HA ILE B 67 -5.865 10.162 -4.328 1.00 25.23 H new ATOM 0 HB ILE B 67 -4.016 11.684 -4.655 1.00 51.32 H new ATOM 0 HG12 ILE B 67 -6.095 13.048 -2.880 1.00 1.35 H new ATOM 0 HG13 ILE B 67 -5.300 11.551 -2.436 1.00 1.35 H new ATOM 0 HG21 ILE B 67 -4.307 14.110 -5.013 1.00 13.34 H new ATOM 0 HG22 ILE B 67 -4.844 13.143 -6.407 1.00 13.34 H new ATOM 0 HG23 ILE B 67 -6.044 13.847 -5.297 1.00 13.34 H new ATOM 0 HD11 ILE B 67 -4.180 13.482 -1.384 1.00 62.24 H new ATOM 0 HD12 ILE B 67 -3.085 12.681 -2.535 1.00 62.24 H new ATOM 0 HD13 ILE B 67 -3.892 14.202 -2.986 1.00 62.24 H new ATOM 1612 N PHE B 68 -8.141 12.135 -5.610 1.00 43.44 N ATOM 1613 CA PHE B 68 -9.520 12.581 -5.447 1.00 53.11 C ATOM 1614 C PHE B 68 -10.441 11.361 -5.424 1.00 71.44 C ATOM 1615 O PHE B 68 -11.292 11.241 -4.545 1.00 13.24 O ATOM 1616 CB PHE B 68 -9.890 13.570 -6.559 1.00 71.21 C ATOM 1617 CG PHE B 68 -8.869 14.675 -6.776 1.00 2.53 C ATOM 1618 CD1 PHE B 68 -8.765 15.731 -5.851 1.00 34.52 C ATOM 1619 CD2 PHE B 68 -7.995 14.628 -7.880 1.00 14.44 C ATOM 1620 CE1 PHE B 68 -7.797 16.733 -6.033 1.00 20.43 C ATOM 1621 CE2 PHE B 68 -7.019 15.627 -8.047 1.00 71.23 C ATOM 1622 CZ PHE B 68 -6.914 16.680 -7.123 1.00 65.33 C ATOM 0 H PHE B 68 -7.733 12.375 -6.514 1.00 43.44 H new ATOM 0 HA PHE B 68 -9.637 13.109 -4.501 1.00 53.11 H new ATOM 0 HB2 PHE B 68 -10.017 13.020 -7.491 1.00 71.21 H new ATOM 0 HB3 PHE B 68 -10.853 14.022 -6.322 1.00 71.21 H new ATOM 0 HD1 PHE B 68 -9.430 15.771 -5.001 1.00 34.52 H new ATOM 0 HD2 PHE B 68 -8.074 13.825 -8.598 1.00 14.44 H new ATOM 0 HE1 PHE B 68 -7.732 17.550 -5.329 1.00 20.43 H new ATOM 0 HE2 PHE B 68 -6.346 15.584 -8.891 1.00 71.23 H new ATOM 0 HZ PHE B 68 -6.160 17.443 -7.250 1.00 65.33 H new ATOM 1631 N ASP B 69 -10.257 10.444 -6.383 1.00 30.14 N ATOM 1632 CA ASP B 69 -11.038 9.209 -6.484 1.00 72.25 C ATOM 1633 C ASP B 69 -10.861 8.435 -5.172 1.00 41.11 C ATOM 1634 O ASP B 69 -11.831 7.973 -4.572 1.00 72.31 O ATOM 1635 CB ASP B 69 -10.580 8.348 -7.680 1.00 44.31 C ATOM 1636 CG ASP B 69 -11.067 8.852 -9.041 1.00 40.11 C ATOM 1637 OD1 ASP B 69 -12.165 8.461 -9.486 1.00 2.41 O ATOM 1638 OD2 ASP B 69 -10.346 9.614 -9.726 1.00 71.24 O ATOM 0 H ASP B 69 -9.555 10.542 -7.116 1.00 30.14 H new ATOM 0 HA ASP B 69 -12.087 9.453 -6.650 1.00 72.25 H new ATOM 0 HB2 ASP B 69 -9.491 8.309 -7.689 1.00 44.31 H new ATOM 0 HB3 ASP B 69 -10.935 7.328 -7.535 1.00 44.31 H new ATOM 1642 N ALA B 70 -9.611 8.329 -4.706 1.00 41.24 N ATOM 1643 CA ALA B 70 -9.229 7.647 -3.477 1.00 41.03 C ATOM 1644 C ALA B 70 -9.957 8.229 -2.266 1.00 72.21 C ATOM 1645 O ALA B 70 -10.618 7.494 -1.537 1.00 50.30 O ATOM 1646 CB ALA B 70 -7.713 7.764 -3.281 1.00 52.35 C ATOM 0 H ALA B 70 -8.813 8.733 -5.197 1.00 41.24 H new ATOM 0 HA ALA B 70 -9.513 6.598 -3.564 1.00 41.03 H new ATOM 0 HB1 ALA B 70 -7.425 7.254 -2.362 1.00 52.35 H new ATOM 0 HB2 ALA B 70 -7.200 7.305 -4.126 1.00 52.35 H new ATOM 0 HB3 ALA B 70 -7.435 8.816 -3.215 1.00 52.35 H new ATOM 1652 N LYS B 71 -9.842 9.546 -2.066 1.00 33.34 N ATOM 1653 CA LYS B 71 -10.449 10.273 -0.959 1.00 70.53 C ATOM 1654 C LYS B 71 -11.937 10.011 -0.817 1.00 52.45 C ATOM 1655 O LYS B 71 -12.409 9.971 0.324 1.00 71.51 O ATOM 1656 CB LYS B 71 -10.211 11.773 -1.130 1.00 43.44 C ATOM 1657 CG LYS B 71 -8.911 12.229 -0.466 1.00 22.13 C ATOM 1658 CD LYS B 71 -8.588 13.695 -0.763 1.00 33.04 C ATOM 1659 CE LYS B 71 -9.763 14.640 -0.472 1.00 43.42 C ATOM 1660 NZ LYS B 71 -10.118 14.687 0.961 1.00 42.14 N ATOM 0 H LYS B 71 -9.307 10.148 -2.692 1.00 33.34 H new ATOM 0 HA LYS B 71 -9.972 9.911 -0.049 1.00 70.53 H new ATOM 0 HB2 LYS B 71 -10.179 12.016 -2.192 1.00 43.44 H new ATOM 0 HB3 LYS B 71 -11.049 12.324 -0.702 1.00 43.44 H new ATOM 0 HG2 LYS B 71 -8.988 12.088 0.612 1.00 22.13 H new ATOM 0 HG3 LYS B 71 -8.090 11.601 -0.812 1.00 22.13 H new ATOM 0 HD2 LYS B 71 -7.728 14.000 -0.167 1.00 33.04 H new ATOM 0 HD3 LYS B 71 -8.301 13.793 -1.810 1.00 33.04 H new ATOM 0 HE2 LYS B 71 -9.509 15.644 -0.812 1.00 43.42 H new ATOM 0 HE3 LYS B 71 -10.632 14.320 -1.047 1.00 43.42 H new ATOM 0 HZ1 LYS B 71 -10.916 15.339 1.100 1.00 42.14 H new ATOM 0 HZ2 LYS B 71 -10.388 13.736 1.283 1.00 42.14 H new ATOM 0 HZ3 LYS B 71 -9.300 15.019 1.511 1.00 42.14 H new ATOM 1670 N ASN B 72 -12.673 9.861 -1.919 1.00 22.00 N ATOM 1671 CA ASN B 72 -14.105 9.613 -1.822 1.00 0.12 C ATOM 1672 C ASN B 72 -14.365 8.221 -1.256 1.00 71.51 C ATOM 1673 O ASN B 72 -15.304 8.064 -0.473 1.00 71.55 O ATOM 1674 CB ASN B 72 -14.830 9.904 -3.150 1.00 31.33 C ATOM 1675 CG ASN B 72 -14.908 11.412 -3.402 1.00 34.13 C ATOM 1676 OD1 ASN B 72 -14.883 12.208 -2.465 1.00 61.52 O ATOM 1677 ND2 ASN B 72 -14.967 11.874 -4.635 1.00 51.25 N ATOM 0 H ASN B 72 -12.307 9.906 -2.870 1.00 22.00 H new ATOM 0 HA ASN B 72 -14.540 10.317 -1.113 1.00 0.12 H new ATOM 0 HB2 ASN B 72 -14.303 9.419 -3.972 1.00 31.33 H new ATOM 0 HB3 ASN B 72 -15.835 9.482 -3.122 1.00 31.33 H new ATOM 0 HD21 ASN B 72 -14.991 12.880 -4.802 1.00 51.25 H new ATOM 0 HD22 ASN B 72 -14.988 11.226 -5.422 1.00 51.25 H new ATOM 1683 N ALA B 73 -13.545 7.217 -1.593 1.00 62.31 N ATOM 1684 CA ALA B 73 -13.719 5.866 -1.066 1.00 50.13 C ATOM 1685 C ALA B 73 -13.413 5.828 0.429 1.00 24.11 C ATOM 1686 O ALA B 73 -14.015 5.034 1.153 1.00 4.21 O ATOM 1687 CB ALA B 73 -12.793 4.865 -1.750 1.00 72.54 C ATOM 0 H ALA B 73 -12.755 7.320 -2.230 1.00 62.31 H new ATOM 0 HA ALA B 73 -14.757 5.593 -1.257 1.00 50.13 H new ATOM 0 HB1 ALA B 73 -12.955 3.873 -1.328 1.00 72.54 H new ATOM 0 HB2 ALA B 73 -13.006 4.844 -2.819 1.00 72.54 H new ATOM 0 HB3 ALA B 73 -11.756 5.162 -1.592 1.00 72.54 H new ATOM 1693 N CYS B 74 -12.484 6.664 0.905 1.00 51.43 N ATOM 1694 CA CYS B 74 -12.107 6.717 2.314 1.00 41.11 C ATOM 1695 C CYS B 74 -13.335 6.974 3.188 1.00 41.02 C ATOM 1696 O CYS B 74 -13.462 6.372 4.256 1.00 63.34 O ATOM 1697 CB CYS B 74 -11.084 7.831 2.552 1.00 62.55 C ATOM 1698 SG CYS B 74 -9.622 7.632 1.501 1.00 75.11 S ATOM 0 H CYS B 74 -11.973 7.324 0.318 1.00 51.43 H new ATOM 0 HA CYS B 74 -11.667 5.756 2.581 1.00 41.11 H new ATOM 0 HB2 CYS B 74 -11.546 8.798 2.354 1.00 62.55 H new ATOM 0 HB3 CYS B 74 -10.782 7.831 3.599 1.00 62.55 H new ATOM 0 HG CYS B 74 -9.988 7.570 0.255 1.00 75.11 H new ATOM 1703 N ASP B 75 -14.211 7.877 2.739 1.00 20.52 N ATOM 1704 CA ASP B 75 -15.436 8.229 3.443 1.00 73.23 C ATOM 1705 C ASP B 75 -16.565 7.265 3.115 1.00 4.40 C ATOM 1706 O ASP B 75 -17.388 6.972 3.979 1.00 21.53 O ATOM 1707 CB ASP B 75 -15.899 9.640 3.077 1.00 53.41 C ATOM 1708 CG ASP B 75 -15.195 10.775 3.808 1.00 54.53 C ATOM 1709 OD1 ASP B 75 -14.251 10.541 4.598 1.00 40.05 O ATOM 1710 OD2 ASP B 75 -15.657 11.927 3.617 1.00 0.41 O ATOM 0 H ASP B 75 -14.083 8.387 1.865 1.00 20.52 H new ATOM 0 HA ASP B 75 -15.205 8.176 4.507 1.00 73.23 H new ATOM 0 HB2 ASP B 75 -15.761 9.782 2.005 1.00 53.41 H new ATOM 0 HB3 ASP B 75 -16.969 9.714 3.273 1.00 53.41 H new ATOM 1714 N HIS B 76 -16.654 6.772 1.877 1.00 4.40 N ATOM 1715 CA HIS B 76 -17.721 5.850 1.492 1.00 22.21 C ATOM 1716 C HIS B 76 -17.568 4.468 2.144 1.00 63.40 C ATOM 1717 O HIS B 76 -18.551 3.726 2.186 1.00 3.41 O ATOM 1718 CB HIS B 76 -17.834 5.751 -0.035 1.00 33.31 C ATOM 1719 CG HIS B 76 -18.437 6.967 -0.702 1.00 5.25 C ATOM 1720 ND1 HIS B 76 -18.664 8.207 -0.136 1.00 55.32 N ATOM 1721 CD2 HIS B 76 -18.902 7.014 -1.989 1.00 31.52 C ATOM 1722 CE1 HIS B 76 -19.230 8.989 -1.070 1.00 31.34 C ATOM 1723 NE2 HIS B 76 -19.416 8.298 -2.210 1.00 20.30 N ATOM 0 H HIS B 76 -16.000 6.996 1.127 1.00 4.40 H new ATOM 0 HA HIS B 76 -18.656 6.263 1.872 1.00 22.21 H new ATOM 0 HB2 HIS B 76 -16.840 5.581 -0.449 1.00 33.31 H new ATOM 0 HB3 HIS B 76 -18.438 4.879 -0.286 1.00 33.31 H new ATOM 0 HD2 HIS B 76 -18.877 6.206 -2.705 1.00 31.52 H new ATOM 0 HE1 HIS B 76 -19.498 10.025 -0.927 1.00 31.34 H new ATOM 0 HE2 HIS B 76 -19.847 8.642 -3.068 1.00 20.30 H new ATOM 1730 N LEU B 77 -16.394 4.134 2.690 1.00 15.22 N ATOM 1731 CA LEU B 77 -16.139 2.855 3.347 1.00 32.51 C ATOM 1732 C LEU B 77 -16.101 2.986 4.881 1.00 41.14 C ATOM 1733 O LEU B 77 -16.194 1.977 5.585 1.00 4.12 O ATOM 1734 CB LEU B 77 -14.833 2.280 2.771 1.00 33.12 C ATOM 1735 CG LEU B 77 -14.459 0.853 3.217 1.00 3.04 C ATOM 1736 CD1 LEU B 77 -15.559 -0.183 2.968 1.00 12.41 C ATOM 1737 CD2 LEU B 77 -13.210 0.418 2.442 1.00 41.22 C ATOM 0 H LEU B 77 -15.585 4.756 2.686 1.00 15.22 H new ATOM 0 HA LEU B 77 -16.959 2.166 3.145 1.00 32.51 H new ATOM 0 HB2 LEU B 77 -14.905 2.290 1.683 1.00 33.12 H new ATOM 0 HB3 LEU B 77 -14.016 2.948 3.043 1.00 33.12 H new ATOM 0 HG LEU B 77 -14.295 0.892 4.294 1.00 3.04 H new ATOM 0 HD11 LEU B 77 -15.221 -1.162 3.308 1.00 12.41 H new ATOM 0 HD12 LEU B 77 -16.457 0.101 3.516 1.00 12.41 H new ATOM 0 HD13 LEU B 77 -15.783 -0.227 1.902 1.00 12.41 H new ATOM 0 HD21 LEU B 77 -12.928 -0.591 2.743 1.00 41.22 H new ATOM 0 HD22 LEU B 77 -13.422 0.432 1.373 1.00 41.22 H new ATOM 0 HD23 LEU B 77 -12.391 1.104 2.658 1.00 41.22 H new ATOM 1748 N SER B 78 -15.966 4.193 5.441 1.00 55.41 N ATOM 1749 CA SER B 78 -15.922 4.364 6.886 1.00 72.22 C ATOM 1750 C SER B 78 -17.320 4.131 7.489 1.00 41.01 C ATOM 1751 O SER B 78 -18.328 4.623 6.976 1.00 22.03 O ATOM 1752 CB SER B 78 -15.276 5.708 7.223 1.00 53.53 C ATOM 1753 OG SER B 78 -15.856 6.825 6.575 1.00 11.40 O ATOM 0 H SER B 78 -15.886 5.061 4.911 1.00 55.41 H new ATOM 0 HA SER B 78 -15.287 3.612 7.355 1.00 72.22 H new ATOM 0 HB2 SER B 78 -15.332 5.862 8.301 1.00 53.53 H new ATOM 0 HB3 SER B 78 -14.219 5.663 6.962 1.00 53.53 H new ATOM 0 HG SER B 78 -15.386 7.641 6.846 1.00 11.40 H new ATOM 1758 N GLY B 79 -17.387 3.370 8.579 1.00 31.44 N ATOM 1759 CA GLY B 79 -18.621 3.027 9.281 1.00 64.10 C ATOM 1760 C GLY B 79 -19.456 1.967 8.552 1.00 52.13 C ATOM 1761 O GLY B 79 -20.596 1.727 8.965 1.00 14.13 O ATOM 0 H GLY B 79 -16.558 2.962 9.011 1.00 31.44 H new ATOM 0 HA2 GLY B 79 -18.375 2.663 10.279 1.00 64.10 H new ATOM 0 HA3 GLY B 79 -19.221 3.928 9.409 1.00 64.10 H new ATOM 1765 N PHE B 80 -18.908 1.332 7.511 1.00 31.21 N ATOM 1766 CA PHE B 80 -19.573 0.305 6.716 1.00 2.42 C ATOM 1767 C PHE B 80 -19.686 -0.993 7.522 1.00 21.33 C ATOM 1768 O PHE B 80 -18.685 -1.527 8.010 1.00 60.35 O ATOM 1769 CB PHE B 80 -18.809 0.115 5.394 1.00 60.04 C ATOM 1770 CG PHE B 80 -19.513 -0.675 4.299 1.00 52.33 C ATOM 1771 CD1 PHE B 80 -20.839 -0.366 3.927 1.00 52.50 C ATOM 1772 CD2 PHE B 80 -18.811 -1.660 3.574 1.00 11.41 C ATOM 1773 CE1 PHE B 80 -21.461 -1.053 2.870 1.00 71.43 C ATOM 1774 CE2 PHE B 80 -19.426 -2.332 2.501 1.00 31.15 C ATOM 1775 CZ PHE B 80 -20.754 -2.036 2.156 1.00 61.42 C ATOM 0 H PHE B 80 -17.959 1.528 7.192 1.00 31.21 H new ATOM 0 HA PHE B 80 -20.589 0.614 6.471 1.00 2.42 H new ATOM 0 HB2 PHE B 80 -18.566 1.101 4.998 1.00 60.04 H new ATOM 0 HB3 PHE B 80 -17.864 -0.381 5.616 1.00 60.04 H new ATOM 0 HD1 PHE B 80 -21.379 0.404 4.458 1.00 52.50 H new ATOM 0 HD2 PHE B 80 -17.793 -1.901 3.844 1.00 11.41 H new ATOM 0 HE1 PHE B 80 -22.483 -0.825 2.606 1.00 71.43 H new ATOM 0 HE2 PHE B 80 -18.876 -3.075 1.943 1.00 31.15 H new ATOM 0 HZ PHE B 80 -21.232 -2.563 1.343 1.00 61.42 H new ATOM 1784 N ASN B 81 -20.921 -1.449 7.722 1.00 51.23 N ATOM 1785 CA ASN B 81 -21.284 -2.664 8.441 1.00 32.51 C ATOM 1786 C ASN B 81 -21.265 -3.810 7.440 1.00 54.12 C ATOM 1787 O ASN B 81 -22.019 -3.759 6.465 1.00 42.45 O ATOM 1788 CB ASN B 81 -22.697 -2.508 9.022 1.00 43.33 C ATOM 1789 CG ASN B 81 -23.176 -3.706 9.839 1.00 21.13 C ATOM 1790 OD1 ASN B 81 -22.975 -4.866 9.484 1.00 75.04 O ATOM 1791 ND2 ASN B 81 -23.850 -3.460 10.949 1.00 4.22 N ATOM 0 H ASN B 81 -21.738 -0.952 7.367 1.00 51.23 H new ATOM 0 HA ASN B 81 -20.588 -2.856 9.258 1.00 32.51 H new ATOM 0 HB2 ASN B 81 -22.722 -1.619 9.653 1.00 43.33 H new ATOM 0 HB3 ASN B 81 -23.397 -2.338 8.204 1.00 43.33 H new ATOM 0 HD21 ASN B 81 -24.204 -4.233 11.512 1.00 4.22 H new ATOM 0 HD22 ASN B 81 -24.016 -2.497 11.242 1.00 4.22 H new ATOM 1797 N VAL B 82 -20.440 -4.833 7.648 1.00 2.23 N ATOM 1798 CA VAL B 82 -20.344 -5.983 6.755 1.00 63.10 C ATOM 1799 C VAL B 82 -20.225 -7.241 7.604 1.00 31.15 C ATOM 1800 O VAL B 82 -19.471 -7.257 8.576 1.00 75.44 O ATOM 1801 CB VAL B 82 -19.168 -5.818 5.767 1.00 22.25 C ATOM 1802 CG1 VAL B 82 -19.533 -4.823 4.661 1.00 10.22 C ATOM 1803 CG2 VAL B 82 -17.858 -5.344 6.417 1.00 31.04 C ATOM 0 H VAL B 82 -19.813 -4.887 8.450 1.00 2.23 H new ATOM 0 HA VAL B 82 -21.241 -6.062 6.141 1.00 63.10 H new ATOM 0 HB VAL B 82 -18.995 -6.817 5.367 1.00 22.25 H new ATOM 0 HG11 VAL B 82 -18.693 -4.719 3.974 1.00 10.22 H new ATOM 0 HG12 VAL B 82 -20.404 -5.187 4.117 1.00 10.22 H new ATOM 0 HG13 VAL B 82 -19.762 -3.854 5.104 1.00 10.22 H new ATOM 0 HG21 VAL B 82 -17.085 -5.254 5.654 1.00 31.04 H new ATOM 0 HG22 VAL B 82 -18.016 -4.374 6.889 1.00 31.04 H new ATOM 0 HG23 VAL B 82 -17.543 -6.067 7.170 1.00 31.04 H new ATOM 1813 N CYS B 83 -20.961 -8.296 7.246 1.00 24.31 N ATOM 1814 CA CYS B 83 -20.983 -9.586 7.933 1.00 62.44 C ATOM 1815 C CYS B 83 -21.112 -9.430 9.459 1.00 44.34 C ATOM 1816 O CYS B 83 -20.381 -10.066 10.218 1.00 1.45 O ATOM 1817 CB CYS B 83 -19.757 -10.419 7.520 1.00 12.54 C ATOM 1818 SG CYS B 83 -19.506 -10.375 5.722 1.00 71.51 S ATOM 0 H CYS B 83 -21.582 -8.272 6.437 1.00 24.31 H new ATOM 0 HA CYS B 83 -21.876 -10.129 7.623 1.00 62.44 H new ATOM 0 HB2 CYS B 83 -18.869 -10.037 8.023 1.00 12.54 H new ATOM 0 HB3 CYS B 83 -19.889 -11.451 7.846 1.00 12.54 H new ATOM 0 HG CYS B 83 -18.463 -11.086 5.412 1.00 71.51 H new ATOM 1823 N ASN B 84 -22.048 -8.585 9.914 1.00 13.03 N ATOM 1824 CA ASN B 84 -22.313 -8.285 11.330 1.00 23.13 C ATOM 1825 C ASN B 84 -21.059 -7.810 12.083 1.00 54.34 C ATOM 1826 O ASN B 84 -20.901 -8.044 13.286 1.00 63.02 O ATOM 1827 CB ASN B 84 -23.062 -9.437 12.038 1.00 50.44 C ATOM 1828 CG ASN B 84 -24.540 -9.486 11.679 1.00 31.24 C ATOM 1829 OD1 ASN B 84 -25.034 -10.472 11.140 1.00 32.34 O ATOM 1830 ND2 ASN B 84 -25.279 -8.433 11.976 1.00 30.43 N ATOM 0 H ASN B 84 -22.664 -8.072 9.283 1.00 13.03 H new ATOM 0 HA ASN B 84 -22.993 -7.433 11.349 1.00 23.13 H new ATOM 0 HB2 ASN B 84 -22.596 -10.386 11.771 1.00 50.44 H new ATOM 0 HB3 ASN B 84 -22.958 -9.323 13.117 1.00 50.44 H new ATOM 0 HD21 ASN B 84 -26.275 -8.431 11.758 1.00 30.43 H new ATOM 0 HD22 ASN B 84 -24.854 -7.621 12.424 1.00 30.43 H new ATOM 1836 N ARG B 85 -20.146 -7.143 11.384 1.00 61.44 N ATOM 1837 CA ARG B 85 -18.893 -6.563 11.854 1.00 73.52 C ATOM 1838 C ARG B 85 -18.792 -5.173 11.218 1.00 54.13 C ATOM 1839 O ARG B 85 -19.724 -4.733 10.534 1.00 74.53 O ATOM 1840 CB ARG B 85 -17.727 -7.486 11.455 1.00 61.23 C ATOM 1841 CG ARG B 85 -17.418 -8.591 12.471 1.00 35.24 C ATOM 1842 CD ARG B 85 -16.654 -8.013 13.669 1.00 71.12 C ATOM 1843 NE ARG B 85 -16.168 -9.079 14.555 1.00 64.00 N ATOM 1844 CZ ARG B 85 -14.953 -9.193 15.100 1.00 50.42 C ATOM 1845 NH1 ARG B 85 -14.091 -8.185 15.043 1.00 14.22 N ATOM 1846 NH2 ARG B 85 -14.640 -10.335 15.694 1.00 32.31 N ATOM 0 H ARG B 85 -20.276 -6.980 10.385 1.00 61.44 H new ATOM 0 HA ARG B 85 -18.854 -6.465 12.939 1.00 73.52 H new ATOM 0 HB2 ARG B 85 -17.957 -7.947 10.494 1.00 61.23 H new ATOM 0 HB3 ARG B 85 -16.832 -6.880 11.312 1.00 61.23 H new ATOM 0 HG2 ARG B 85 -18.345 -9.052 12.810 1.00 35.24 H new ATOM 0 HG3 ARG B 85 -16.827 -9.375 11.998 1.00 35.24 H new ATOM 0 HD2 ARG B 85 -15.811 -7.420 13.314 1.00 71.12 H new ATOM 0 HD3 ARG B 85 -17.305 -7.340 14.228 1.00 71.12 H new ATOM 0 HE ARG B 85 -16.835 -9.817 14.780 1.00 64.00 H new ATOM 0 HH11 ARG B 85 -14.354 -7.315 14.581 1.00 14.22 H new ATOM 0 HH12 ARG B 85 -13.166 -8.281 15.462 1.00 14.22 H new ATOM 0 HH21 ARG B 85 -15.318 -11.096 15.726 1.00 32.31 H new ATOM 0 HH22 ARG B 85 -13.721 -10.453 16.119 1.00 32.31 H new ATOM 1857 N TYR B 86 -17.719 -4.443 11.500 1.00 14.03 N ATOM 1858 CA TYR B 86 -17.455 -3.116 10.969 1.00 20.23 C ATOM 1859 C TYR B 86 -15.971 -3.072 10.648 1.00 31.22 C ATOM 1860 O TYR B 86 -15.153 -3.520 11.458 1.00 51.14 O ATOM 1861 CB TYR B 86 -17.773 -2.009 11.986 1.00 31.55 C ATOM 1862 CG TYR B 86 -19.237 -1.800 12.311 1.00 1.42 C ATOM 1863 CD1 TYR B 86 -20.009 -0.926 11.524 1.00 60.05 C ATOM 1864 CD2 TYR B 86 -19.812 -2.425 13.432 1.00 53.43 C ATOM 1865 CE1 TYR B 86 -21.354 -0.682 11.852 1.00 31.24 C ATOM 1866 CE2 TYR B 86 -21.160 -2.194 13.756 1.00 12.31 C ATOM 1867 CZ TYR B 86 -21.942 -1.331 12.961 1.00 33.52 C ATOM 1868 OH TYR B 86 -23.258 -1.163 13.259 1.00 31.33 O ATOM 0 H TYR B 86 -16.985 -4.773 12.127 1.00 14.03 H new ATOM 0 HA TYR B 86 -18.084 -2.941 10.096 1.00 20.23 H new ATOM 0 HB2 TYR B 86 -17.245 -2.233 12.913 1.00 31.55 H new ATOM 0 HB3 TYR B 86 -17.369 -1.070 11.608 1.00 31.55 H new ATOM 0 HD1 TYR B 86 -19.567 -0.441 10.666 1.00 60.05 H new ATOM 0 HD2 TYR B 86 -19.216 -3.084 14.046 1.00 53.43 H new ATOM 0 HE1 TYR B 86 -21.939 0.003 11.255 1.00 31.24 H new ATOM 0 HE2 TYR B 86 -21.598 -2.679 14.616 1.00 12.31 H new ATOM 0 HH TYR B 86 -23.483 -1.689 14.055 1.00 31.33 H new ATOM 1877 N LEU B 87 -15.628 -2.564 9.469 1.00 62.51 N ATOM 1878 CA LEU B 87 -14.239 -2.435 9.037 1.00 2.34 C ATOM 1879 C LEU B 87 -13.651 -1.174 9.675 1.00 71.53 C ATOM 1880 O LEU B 87 -14.348 -0.454 10.395 1.00 63.23 O ATOM 1881 CB LEU B 87 -14.186 -2.311 7.504 1.00 22.21 C ATOM 1882 CG LEU B 87 -14.583 -3.600 6.766 1.00 15.21 C ATOM 1883 CD1 LEU B 87 -14.809 -3.292 5.284 1.00 22.04 C ATOM 1884 CD2 LEU B 87 -13.509 -4.681 6.906 1.00 30.12 C ATOM 0 H LEU B 87 -16.306 -2.229 8.784 1.00 62.51 H new ATOM 0 HA LEU B 87 -13.667 -3.311 9.342 1.00 2.34 H new ATOM 0 HB2 LEU B 87 -14.849 -1.504 7.190 1.00 22.21 H new ATOM 0 HB3 LEU B 87 -13.176 -2.028 7.206 1.00 22.21 H new ATOM 0 HG LEU B 87 -15.502 -3.977 7.215 1.00 15.21 H new ATOM 0 HD11 LEU B 87 -15.090 -4.206 4.761 1.00 22.04 H new ATOM 0 HD12 LEU B 87 -15.607 -2.556 5.183 1.00 22.04 H new ATOM 0 HD13 LEU B 87 -13.891 -2.894 4.851 1.00 22.04 H new ATOM 0 HD21 LEU B 87 -13.823 -5.578 6.372 1.00 30.12 H new ATOM 0 HD22 LEU B 87 -12.571 -4.319 6.486 1.00 30.12 H new ATOM 0 HD23 LEU B 87 -13.366 -4.918 7.960 1.00 30.12 H new ATOM 1895 N VAL B 88 -12.351 -0.944 9.531 1.00 4.55 N ATOM 1896 CA VAL B 88 -11.701 0.264 10.038 1.00 21.15 C ATOM 1897 C VAL B 88 -10.805 0.725 8.882 1.00 25.00 C ATOM 1898 O VAL B 88 -10.183 -0.128 8.242 1.00 63.24 O ATOM 1899 CB VAL B 88 -10.973 0.053 11.384 1.00 65.43 C ATOM 1900 CG1 VAL B 88 -10.778 1.403 12.078 1.00 31.04 C ATOM 1901 CG2 VAL B 88 -11.686 -0.900 12.362 1.00 25.42 C ATOM 0 H VAL B 88 -11.716 -1.588 9.060 1.00 4.55 H new ATOM 0 HA VAL B 88 -12.418 1.040 10.307 1.00 21.15 H new ATOM 0 HB VAL B 88 -10.024 -0.418 11.129 1.00 65.43 H new ATOM 0 HG11 VAL B 88 -10.264 1.253 13.028 1.00 31.04 H new ATOM 0 HG12 VAL B 88 -10.181 2.056 11.442 1.00 31.04 H new ATOM 0 HG13 VAL B 88 -11.750 1.862 12.260 1.00 31.04 H new ATOM 0 HG21 VAL B 88 -11.101 -0.986 13.278 1.00 25.42 H new ATOM 0 HG22 VAL B 88 -12.674 -0.506 12.598 1.00 25.42 H new ATOM 0 HG23 VAL B 88 -11.788 -1.883 11.903 1.00 25.42 H new ATOM 1911 N VAL B 89 -10.713 2.030 8.620 1.00 11.41 N ATOM 1912 CA VAL B 89 -9.912 2.612 7.539 1.00 13.43 C ATOM 1913 C VAL B 89 -8.972 3.666 8.137 1.00 5.11 C ATOM 1914 O VAL B 89 -9.358 4.359 9.088 1.00 72.50 O ATOM 1915 CB VAL B 89 -10.874 3.217 6.481 1.00 64.02 C ATOM 1916 CG1 VAL B 89 -10.125 3.830 5.284 1.00 13.51 C ATOM 1917 CG2 VAL B 89 -11.856 2.170 5.925 1.00 20.12 C ATOM 0 H VAL B 89 -11.208 2.732 9.170 1.00 11.41 H new ATOM 0 HA VAL B 89 -9.299 1.858 7.045 1.00 13.43 H new ATOM 0 HB VAL B 89 -11.418 3.998 7.013 1.00 64.02 H new ATOM 0 HG11 VAL B 89 -10.845 4.238 4.575 1.00 13.51 H new ATOM 0 HG12 VAL B 89 -9.469 4.627 5.635 1.00 13.51 H new ATOM 0 HG13 VAL B 89 -9.530 3.059 4.794 1.00 13.51 H new ATOM 0 HG21 VAL B 89 -12.509 2.639 5.189 1.00 20.12 H new ATOM 0 HG22 VAL B 89 -11.297 1.362 5.453 1.00 20.12 H new ATOM 0 HG23 VAL B 89 -12.458 1.767 6.740 1.00 20.12 H new ATOM 1927 N LEU B 90 -7.735 3.780 7.633 1.00 35.13 N ATOM 1928 CA LEU B 90 -6.752 4.753 8.090 1.00 71.32 C ATOM 1929 C LEU B 90 -5.770 5.073 6.948 1.00 21.44 C ATOM 1930 O LEU B 90 -5.513 4.244 6.068 1.00 24.24 O ATOM 1931 CB LEU B 90 -6.043 4.207 9.344 1.00 5.41 C ATOM 1932 CG LEU B 90 -5.059 5.201 9.987 1.00 11.24 C ATOM 1933 CD1 LEU B 90 -5.732 6.493 10.471 1.00 62.41 C ATOM 1934 CD2 LEU B 90 -4.345 4.550 11.175 1.00 33.03 C ATOM 0 H LEU B 90 -7.390 3.183 6.881 1.00 35.13 H new ATOM 0 HA LEU B 90 -7.238 5.688 8.367 1.00 71.32 H new ATOM 0 HB2 LEU B 90 -6.795 3.927 10.082 1.00 5.41 H new ATOM 0 HB3 LEU B 90 -5.504 3.298 9.078 1.00 5.41 H new ATOM 0 HG LEU B 90 -4.349 5.467 9.204 1.00 11.24 H new ATOM 0 HD11 LEU B 90 -4.983 7.150 10.914 1.00 62.41 H new ATOM 0 HD12 LEU B 90 -6.203 6.997 9.627 1.00 62.41 H new ATOM 0 HD13 LEU B 90 -6.489 6.251 11.217 1.00 62.41 H new ATOM 0 HD21 LEU B 90 -3.652 5.265 11.619 1.00 33.03 H new ATOM 0 HD22 LEU B 90 -5.081 4.246 11.920 1.00 33.03 H new ATOM 0 HD23 LEU B 90 -3.793 3.675 10.833 1.00 33.03 H new ATOM 1945 N TYR B 91 -5.233 6.294 6.944 1.00 42.40 N ATOM 1946 CA TYR B 91 -4.278 6.789 5.954 1.00 41.14 C ATOM 1947 C TYR B 91 -2.852 6.401 6.343 1.00 4.23 C ATOM 1948 O TYR B 91 -2.594 6.014 7.488 1.00 52.44 O ATOM 1949 CB TYR B 91 -4.399 8.316 5.831 1.00 54.11 C ATOM 1950 CG TYR B 91 -5.822 8.821 5.678 1.00 5.12 C ATOM 1951 CD1 TYR B 91 -6.678 8.230 4.735 1.00 71.32 C ATOM 1952 CD2 TYR B 91 -6.307 9.847 6.511 1.00 31.31 C ATOM 1953 CE1 TYR B 91 -8.007 8.660 4.629 1.00 61.40 C ATOM 1954 CE2 TYR B 91 -7.636 10.295 6.396 1.00 70.42 C ATOM 1955 CZ TYR B 91 -8.494 9.702 5.445 1.00 22.22 C ATOM 1956 OH TYR B 91 -9.795 10.077 5.339 1.00 22.43 O ATOM 0 H TYR B 91 -5.460 6.989 7.655 1.00 42.40 H new ATOM 0 HA TYR B 91 -4.506 6.335 4.990 1.00 41.14 H new ATOM 0 HB2 TYR B 91 -3.956 8.776 6.714 1.00 54.11 H new ATOM 0 HB3 TYR B 91 -3.815 8.647 4.972 1.00 54.11 H new ATOM 0 HD1 TYR B 91 -6.312 7.444 4.091 1.00 71.32 H new ATOM 0 HD2 TYR B 91 -5.653 10.294 7.245 1.00 31.31 H new ATOM 0 HE1 TYR B 91 -8.666 8.188 3.915 1.00 61.40 H new ATOM 0 HE2 TYR B 91 -7.998 11.089 7.032 1.00 70.42 H new ATOM 0 HH TYR B 91 -9.978 10.806 5.968 1.00 22.43 H new ATOM 1965 N TYR B 92 -1.919 6.479 5.392 1.00 71.42 N ATOM 1966 CA TYR B 92 -0.519 6.142 5.639 1.00 31.01 C ATOM 1967 C TYR B 92 0.167 7.303 6.380 1.00 24.13 C ATOM 1968 O TYR B 92 -0.418 8.390 6.505 1.00 22.13 O ATOM 1969 CB TYR B 92 0.147 5.702 4.323 1.00 61.12 C ATOM 1970 CG TYR B 92 1.230 4.652 4.465 1.00 3.21 C ATOM 1971 CD1 TYR B 92 0.880 3.290 4.412 1.00 53.41 C ATOM 1972 CD2 TYR B 92 2.581 5.021 4.613 1.00 23.33 C ATOM 1973 CE1 TYR B 92 1.858 2.296 4.553 1.00 23.01 C ATOM 1974 CE2 TYR B 92 3.568 4.027 4.752 1.00 65.30 C ATOM 1975 CZ TYR B 92 3.203 2.662 4.754 1.00 12.34 C ATOM 1976 OH TYR B 92 4.131 1.678 4.860 1.00 71.24 O ATOM 0 H TYR B 92 -2.112 6.776 4.435 1.00 71.42 H new ATOM 0 HA TYR B 92 -0.421 5.284 6.304 1.00 31.01 H new ATOM 0 HB2 TYR B 92 -0.624 5.317 3.656 1.00 61.12 H new ATOM 0 HB3 TYR B 92 0.576 6.580 3.841 1.00 61.12 H new ATOM 0 HD1 TYR B 92 -0.152 3.008 4.261 1.00 53.41 H new ATOM 0 HD2 TYR B 92 2.859 6.065 4.620 1.00 23.33 H new ATOM 0 HE1 TYR B 92 1.581 1.253 4.508 1.00 23.01 H new ATOM 0 HE2 TYR B 92 4.605 4.308 4.857 1.00 65.30 H new ATOM 0 HH TYR B 92 4.710 1.688 4.070 1.00 71.24 H new ATOM 1985 N ASN B 93 1.368 7.063 6.916 1.00 43.11 N ATOM 1986 CA ASN B 93 2.166 8.043 7.650 1.00 61.35 C ATOM 1987 C ASN B 93 3.448 8.175 6.876 1.00 3.13 C ATOM 1988 O ASN B 93 3.623 9.217 6.211 1.00 55.41 O ATOM 1989 CB ASN B 93 2.440 7.634 9.113 1.00 41.45 C ATOM 1990 CG ASN B 93 1.288 7.909 10.067 1.00 41.01 C ATOM 1991 OD1 ASN B 93 0.117 7.855 9.688 1.00 55.55 O ATOM 1992 ND2 ASN B 93 1.573 8.191 11.321 1.00 12.02 N ATOM 0 H ASN B 93 1.823 6.153 6.847 1.00 43.11 H new ATOM 0 HA ASN B 93 1.627 8.987 7.727 1.00 61.35 H new ATOM 0 HB2 ASN B 93 2.674 6.570 9.142 1.00 41.45 H new ATOM 0 HB3 ASN B 93 3.324 8.165 9.467 1.00 41.45 H new ATOM 0 HD21 ASN B 93 0.821 8.367 11.988 1.00 12.02 H new ATOM 0 HD22 ASN B 93 2.545 8.234 11.626 1.00 12.02 H new