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 74 CYS SG : rot -155:sc= -0.801 USER MOD Set 1.2: B 91 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 53 THR OG1 : rot -37:sc= 1.11 USER MOD Set 2.2: B 56 THR OG1 : rot 180:sc= 1.58 USER MOD Set 3.1: A 412 TYR OH : rot -146:sc= 0.65 USER MOD Set 3.2: B 59 THR OG1 : rot -7:sc= 1.17 USER MOD Single : A 407 MET CE :methyl 177:sc= 0 (180deg=-0.0281) USER MOD Single : A 413 LYS NZ :NH3+ 165:sc= -0.0126 (180deg=-0.189) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 TYR OH : rot 166:sc= -0.0803 USER MOD Single : B 25 ASN : amide:sc= 0.452 K(o=0.45,f=-1.3!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0331) USER MOD Single : B 31 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 MET CE :methyl -167:sc=-0.00551 (180deg=-0.201) USER MOD Single : B 36 TYR OH : rot 180:sc=-0.00454 USER MOD Single : B 41 LYS NZ :NH3+ -163:sc= -0.0172 (180deg=-0.214) USER MOD Single : B 42 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.56) USER MOD Single : B 52 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.1!) USER MOD Single : B 61 TYR OH : rot 165:sc= 0 USER MOD Single : B 64 TYR OH : rot 28:sc= 0.149 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 ASN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : B 76 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.013) USER MOD Single : B 78 SER OG : rot 55:sc= 1.02 USER MOD Single : B 81 ASN : amide:sc= -0.0723 K(o=-0.072,f=-1.1) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.7) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 84:sc= 0.0167 USER MOD Single : B 93 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 6.599 1.670 -5.035 1.00 52.41 N ATOM 392 CA LEU A 404 5.295 1.372 -4.458 1.00 52.24 C ATOM 393 C LEU A 404 5.252 -0.069 -3.948 1.00 63.13 C ATOM 394 O LEU A 404 4.433 -0.390 -3.091 1.00 31.04 O ATOM 395 CB LEU A 404 4.199 1.602 -5.522 1.00 2.10 C ATOM 396 CG LEU A 404 2.770 1.688 -4.941 1.00 72.01 C ATOM 397 CD1 LEU A 404 2.515 3.062 -4.307 1.00 40.53 C ATOM 398 CD2 LEU A 404 1.728 1.429 -6.039 1.00 33.31 C ATOM 0 HA LEU A 404 5.118 2.035 -3.612 1.00 52.24 H new ATOM 0 HB2 LEU A 404 4.418 2.524 -6.061 1.00 2.10 H new ATOM 0 HB3 LEU A 404 4.237 0.791 -6.249 1.00 2.10 H new ATOM 0 HG LEU A 404 2.679 0.924 -4.169 1.00 72.01 H new ATOM 0 HD11 LEU A 404 1.502 3.095 -3.906 1.00 40.53 H new ATOM 0 HD12 LEU A 404 3.230 3.229 -3.501 1.00 40.53 H new ATOM 0 HD13 LEU A 404 2.632 3.839 -5.063 1.00 40.53 H new ATOM 0 HD21 LEU A 404 0.727 1.493 -5.613 1.00 33.31 H new ATOM 0 HD22 LEU A 404 1.836 2.175 -6.826 1.00 33.31 H new ATOM 0 HD23 LEU A 404 1.881 0.435 -6.458 1.00 33.31 H new ATOM 409 N ASP A 405 6.070 -0.965 -4.504 1.00 2.32 N ATOM 410 CA ASP A 405 6.137 -2.365 -4.091 1.00 53.35 C ATOM 411 C ASP A 405 6.982 -2.467 -2.824 1.00 34.44 C ATOM 412 O ASP A 405 6.540 -2.997 -1.801 1.00 2.44 O ATOM 413 CB ASP A 405 6.710 -3.218 -5.229 1.00 5.21 C ATOM 414 CG ASP A 405 6.436 -4.700 -5.008 1.00 14.21 C ATOM 415 OD1 ASP A 405 7.058 -5.347 -4.147 1.00 11.14 O ATOM 416 OD2 ASP A 405 5.490 -5.237 -5.631 1.00 74.02 O ATOM 0 H ASP A 405 6.712 -0.734 -5.263 1.00 2.32 H new ATOM 0 HA ASP A 405 5.139 -2.744 -3.871 1.00 53.35 H new ATOM 0 HB2 ASP A 405 6.273 -2.903 -6.177 1.00 5.21 H new ATOM 0 HB3 ASP A 405 7.785 -3.053 -5.303 1.00 5.21 H new ATOM 420 N ALA A 406 8.174 -1.879 -2.896 1.00 12.40 N ATOM 421 CA ALA A 406 9.176 -1.829 -1.849 1.00 0.12 C ATOM 422 C ALA A 406 8.693 -1.114 -0.581 1.00 61.41 C ATOM 423 O ALA A 406 9.006 -1.552 0.524 1.00 41.40 O ATOM 424 CB ALA A 406 10.401 -1.112 -2.430 1.00 12.22 C ATOM 0 H ALA A 406 8.479 -1.397 -3.742 1.00 12.40 H new ATOM 0 HA ALA A 406 9.411 -2.847 -1.539 1.00 0.12 H new ATOM 0 HB1 ALA A 406 11.182 -1.053 -1.672 1.00 12.22 H new ATOM 0 HB2 ALA A 406 10.773 -1.667 -3.291 1.00 12.22 H new ATOM 0 HB3 ALA A 406 10.120 -0.106 -2.741 1.00 12.22 H new ATOM 430 N MET A 407 7.933 -0.023 -0.718 1.00 5.34 N ATOM 431 CA MET A 407 7.420 0.770 0.399 1.00 43.24 C ATOM 432 C MET A 407 6.564 -0.039 1.375 1.00 31.35 C ATOM 433 O MET A 407 6.607 0.238 2.577 1.00 60.14 O ATOM 434 CB MET A 407 6.600 1.956 -0.134 1.00 73.05 C ATOM 435 CG MET A 407 7.446 3.138 -0.612 1.00 50.15 C ATOM 436 SD MET A 407 6.570 4.377 -1.615 1.00 71.01 S ATOM 437 CE MET A 407 5.247 4.863 -0.472 1.00 54.15 C ATOM 0 H MET A 407 7.652 0.340 -1.629 1.00 5.34 H new ATOM 0 HA MET A 407 8.291 1.121 0.953 1.00 43.24 H new ATOM 0 HB2 MET A 407 5.978 1.611 -0.960 1.00 73.05 H new ATOM 0 HB3 MET A 407 5.926 2.300 0.651 1.00 73.05 H new ATOM 0 HG2 MET A 407 7.868 3.636 0.261 1.00 50.15 H new ATOM 0 HG3 MET A 407 8.283 2.751 -1.194 1.00 50.15 H new ATOM 0 HE1 MET A 407 4.652 5.658 -0.921 1.00 54.15 H new ATOM 0 HE2 MET A 407 4.609 4.003 -0.268 1.00 54.15 H new ATOM 0 HE3 MET A 407 5.685 5.220 0.460 1.00 54.15 H new ATOM 445 N PHE A 408 5.757 -0.994 0.903 1.00 35.41 N ATOM 446 CA PHE A 408 4.919 -1.766 1.817 1.00 74.11 C ATOM 447 C PHE A 408 5.775 -2.673 2.701 1.00 1.12 C ATOM 448 O PHE A 408 6.831 -3.132 2.251 1.00 23.42 O ATOM 449 CB PHE A 408 3.872 -2.574 1.053 1.00 21.33 C ATOM 450 CG PHE A 408 2.761 -1.717 0.489 1.00 2.30 C ATOM 451 CD1 PHE A 408 1.830 -1.105 1.347 1.00 3.44 C ATOM 452 CD2 PHE A 408 2.660 -1.522 -0.897 1.00 53.43 C ATOM 453 CE1 PHE A 408 0.815 -0.293 0.816 1.00 53.02 C ATOM 454 CE2 PHE A 408 1.605 -0.765 -1.433 1.00 53.13 C ATOM 455 CZ PHE A 408 0.688 -0.142 -0.575 1.00 11.15 C ATOM 0 H PHE A 408 5.668 -1.245 -0.082 1.00 35.41 H new ATOM 0 HA PHE A 408 4.390 -1.065 2.463 1.00 74.11 H new ATOM 0 HB2 PHE A 408 4.358 -3.111 0.239 1.00 21.33 H new ATOM 0 HB3 PHE A 408 3.443 -3.324 1.718 1.00 21.33 H new ATOM 0 HD1 PHE A 408 1.896 -1.259 2.414 1.00 3.44 H new ATOM 0 HD2 PHE A 408 3.398 -1.956 -1.555 1.00 53.43 H new ATOM 0 HE1 PHE A 408 0.131 0.216 1.478 1.00 53.02 H new ATOM 0 HE2 PHE A 408 1.501 -0.663 -2.503 1.00 53.13 H new ATOM 0 HZ PHE A 408 -0.115 0.453 -0.983 1.00 11.15 H new ATOM 464 N PRO A 409 5.323 -2.964 3.934 1.00 64.40 N ATOM 465 CA PRO A 409 6.068 -3.807 4.851 1.00 52.51 C ATOM 466 C PRO A 409 6.128 -5.247 4.347 1.00 61.41 C ATOM 467 O PRO A 409 5.328 -5.680 3.511 1.00 11.12 O ATOM 468 CB PRO A 409 5.374 -3.667 6.207 1.00 32.03 C ATOM 469 CG PRO A 409 3.942 -3.288 5.846 1.00 64.22 C ATOM 470 CD PRO A 409 4.094 -2.491 4.552 1.00 51.41 C ATOM 0 HA PRO A 409 7.111 -3.503 4.936 1.00 52.51 H new ATOM 0 HB2 PRO A 409 5.411 -4.598 6.773 1.00 32.03 H new ATOM 0 HB3 PRO A 409 5.848 -2.901 6.821 1.00 32.03 H new ATOM 0 HG2 PRO A 409 3.318 -4.170 5.702 1.00 64.22 H new ATOM 0 HG3 PRO A 409 3.475 -2.692 6.631 1.00 64.22 H new ATOM 0 HD2 PRO A 409 3.240 -2.649 3.893 1.00 51.41 H new ATOM 0 HD3 PRO A 409 4.146 -1.421 4.756 1.00 51.41 H new ATOM 475 N GLU A 410 7.099 -5.982 4.879 1.00 12.35 N ATOM 476 CA GLU A 410 7.353 -7.373 4.540 1.00 41.44 C ATOM 477 C GLU A 410 6.235 -8.254 5.116 1.00 21.10 C ATOM 478 O GLU A 410 5.526 -7.841 6.034 1.00 14.34 O ATOM 479 CB GLU A 410 8.760 -7.764 5.042 1.00 71.21 C ATOM 480 CG GLU A 410 9.813 -6.732 4.579 1.00 12.45 C ATOM 481 CD GLU A 410 11.274 -7.130 4.781 1.00 44.04 C ATOM 482 OE1 GLU A 410 11.593 -8.175 5.398 1.00 62.03 O ATOM 483 OE2 GLU A 410 12.155 -6.402 4.268 1.00 22.33 O ATOM 0 H GLU A 410 7.747 -5.615 5.576 1.00 12.35 H new ATOM 0 HA GLU A 410 7.343 -7.523 3.460 1.00 41.44 H new ATOM 0 HB2 GLU A 410 8.759 -7.826 6.130 1.00 71.21 H new ATOM 0 HB3 GLU A 410 9.023 -8.753 4.667 1.00 71.21 H new ATOM 0 HG2 GLU A 410 9.655 -6.531 3.519 1.00 12.45 H new ATOM 0 HG3 GLU A 410 9.635 -5.797 5.110 1.00 12.45 H new ATOM 488 N GLY A 411 6.072 -9.476 4.599 1.00 62.01 N ATOM 489 CA GLY A 411 5.042 -10.412 5.049 1.00 12.41 C ATOM 490 C GLY A 411 3.685 -10.192 4.371 1.00 41.22 C ATOM 491 O GLY A 411 2.679 -10.752 4.815 1.00 40.52 O ATOM 0 H GLY A 411 6.658 -9.845 3.850 1.00 62.01 H new ATOM 0 HA2 GLY A 411 5.377 -11.431 4.854 1.00 12.41 H new ATOM 0 HA3 GLY A 411 4.921 -10.317 6.128 1.00 12.41 H new ATOM 495 N TYR A 412 3.659 -9.474 3.247 1.00 70.55 N ATOM 496 CA TYR A 412 2.465 -9.159 2.471 1.00 0.32 C ATOM 497 C TYR A 412 2.692 -9.639 1.040 1.00 63.41 C ATOM 498 O TYR A 412 3.836 -9.763 0.590 1.00 41.21 O ATOM 499 CB TYR A 412 2.193 -7.643 2.506 1.00 51.50 C ATOM 500 CG TYR A 412 1.487 -7.147 3.756 1.00 2.24 C ATOM 501 CD1 TYR A 412 2.217 -6.837 4.918 1.00 13.34 C ATOM 502 CD2 TYR A 412 0.087 -7.000 3.759 1.00 64.32 C ATOM 503 CE1 TYR A 412 1.548 -6.420 6.085 1.00 75.11 C ATOM 504 CE2 TYR A 412 -0.589 -6.614 4.929 1.00 24.40 C ATOM 505 CZ TYR A 412 0.138 -6.333 6.107 1.00 30.31 C ATOM 506 OH TYR A 412 -0.531 -5.968 7.237 1.00 3.30 O ATOM 0 H TYR A 412 4.507 -9.081 2.838 1.00 70.55 H new ATOM 0 HA TYR A 412 1.593 -9.659 2.893 1.00 0.32 H new ATOM 0 HB2 TYR A 412 3.142 -7.116 2.410 1.00 51.50 H new ATOM 0 HB3 TYR A 412 1.591 -7.377 1.637 1.00 51.50 H new ATOM 0 HD1 TYR A 412 3.294 -6.919 4.915 1.00 13.34 H new ATOM 0 HD2 TYR A 412 -0.473 -7.186 2.854 1.00 64.32 H new ATOM 0 HE1 TYR A 412 2.116 -6.165 6.968 1.00 75.11 H new ATOM 0 HE2 TYR A 412 -1.666 -6.532 4.927 1.00 24.40 H new ATOM 0 HH TYR A 412 -1.390 -6.439 7.275 1.00 3.30 H new ATOM 515 N LYS A 413 1.602 -9.881 0.311 1.00 41.14 N ATOM 516 CA LYS A 413 1.613 -10.367 -1.065 1.00 1.51 C ATOM 517 C LYS A 413 0.589 -9.600 -1.883 1.00 54.14 C ATOM 518 O LYS A 413 -0.459 -9.234 -1.351 1.00 33.34 O ATOM 519 CB LYS A 413 1.230 -11.853 -1.018 1.00 63.14 C ATOM 520 CG LYS A 413 1.594 -12.600 -2.302 1.00 45.23 C ATOM 521 CD LYS A 413 0.729 -13.849 -2.514 1.00 61.42 C ATOM 522 CE LYS A 413 1.270 -14.740 -3.639 1.00 55.42 C ATOM 523 NZ LYS A 413 2.572 -15.350 -3.294 1.00 5.43 N ATOM 0 H LYS A 413 0.660 -9.739 0.675 1.00 41.14 H new ATOM 0 HA LYS A 413 2.593 -10.230 -1.522 1.00 1.51 H new ATOM 0 HB2 LYS A 413 1.731 -12.326 -0.173 1.00 63.14 H new ATOM 0 HB3 LYS A 413 0.158 -11.942 -0.843 1.00 63.14 H new ATOM 0 HG2 LYS A 413 1.477 -11.931 -3.155 1.00 45.23 H new ATOM 0 HG3 LYS A 413 2.644 -12.890 -2.266 1.00 45.23 H new ATOM 0 HD2 LYS A 413 0.686 -14.421 -1.587 1.00 61.42 H new ATOM 0 HD3 LYS A 413 -0.291 -13.547 -2.750 1.00 61.42 H new ATOM 0 HE2 LYS A 413 0.548 -15.528 -3.855 1.00 55.42 H new ATOM 0 HE3 LYS A 413 1.378 -14.148 -4.548 1.00 55.42 H new ATOM 0 HZ1 LYS A 413 2.777 -16.127 -3.954 1.00 5.43 H new ATOM 0 HZ2 LYS A 413 3.321 -14.632 -3.362 1.00 5.43 H new ATOM 0 HZ3 LYS A 413 2.535 -15.721 -2.323 1.00 5.43 H new ATOM 533 N VAL A 414 0.879 -9.332 -3.155 1.00 50.13 N ATOM 534 CA VAL A 414 -0.044 -8.617 -4.027 1.00 21.23 C ATOM 535 C VAL A 414 -1.234 -9.540 -4.343 1.00 35.23 C ATOM 536 O VAL A 414 -1.097 -10.765 -4.371 1.00 4.44 O ATOM 537 CB VAL A 414 0.702 -8.126 -5.288 1.00 21.30 C ATOM 538 CG1 VAL A 414 -0.227 -7.402 -6.274 1.00 30.42 C ATOM 539 CG2 VAL A 414 1.804 -7.120 -4.911 1.00 53.10 C ATOM 0 H VAL A 414 1.753 -9.603 -3.605 1.00 50.13 H new ATOM 0 HA VAL A 414 -0.439 -7.726 -3.539 1.00 21.23 H new ATOM 0 HB VAL A 414 1.114 -9.022 -5.753 1.00 21.30 H new ATOM 0 HG11 VAL A 414 0.346 -7.077 -7.142 1.00 30.42 H new ATOM 0 HG12 VAL A 414 -1.018 -8.081 -6.594 1.00 30.42 H new ATOM 0 HG13 VAL A 414 -0.670 -6.534 -5.786 1.00 30.42 H new ATOM 0 HG21 VAL A 414 2.317 -6.787 -5.813 1.00 53.10 H new ATOM 0 HG22 VAL A 414 1.357 -6.261 -4.410 1.00 53.10 H new ATOM 0 HG23 VAL A 414 2.520 -7.598 -4.242 1.00 53.10 H new ATOM 549 N LEU A 415 -2.407 -8.944 -4.594 1.00 44.14 N ATOM 550 CA LEU A 415 -3.656 -9.626 -4.929 1.00 44.35 C ATOM 551 C LEU A 415 -4.125 -9.130 -6.311 1.00 64.23 C ATOM 552 O LEU A 415 -4.928 -8.200 -6.363 1.00 55.01 O ATOM 553 CB LEU A 415 -4.697 -9.370 -3.820 1.00 35.12 C ATOM 554 CG LEU A 415 -6.052 -10.074 -4.060 1.00 30.51 C ATOM 555 CD1 LEU A 415 -5.960 -11.565 -3.726 1.00 12.42 C ATOM 556 CD2 LEU A 415 -7.143 -9.436 -3.191 1.00 21.35 C ATOM 0 H LEU A 415 -2.512 -7.930 -4.567 1.00 44.14 H new ATOM 0 HA LEU A 415 -3.515 -10.705 -4.987 1.00 44.35 H new ATOM 0 HB2 LEU A 415 -4.288 -9.705 -2.867 1.00 35.12 H new ATOM 0 HB3 LEU A 415 -4.866 -8.297 -3.735 1.00 35.12 H new ATOM 0 HG LEU A 415 -6.305 -9.959 -5.114 1.00 30.51 H new ATOM 0 HD11 LEU A 415 -6.926 -12.038 -3.903 1.00 12.42 H new ATOM 0 HD12 LEU A 415 -5.205 -12.034 -4.358 1.00 12.42 H new ATOM 0 HD13 LEU A 415 -5.683 -11.687 -2.679 1.00 12.42 H new ATOM 0 HD21 LEU A 415 -8.092 -9.941 -3.370 1.00 21.35 H new ATOM 0 HD22 LEU A 415 -6.873 -9.532 -2.139 1.00 21.35 H new ATOM 0 HD23 LEU A 415 -7.240 -8.381 -3.446 1.00 21.35 H new ATOM 567 N PRO A 416 -3.613 -9.694 -7.425 1.00 1.00 N ATOM 568 CA PRO A 416 -4.010 -9.299 -8.780 1.00 44.30 C ATOM 569 C PRO A 416 -5.515 -9.508 -9.050 1.00 2.11 C ATOM 570 O PRO A 416 -6.143 -10.314 -8.350 1.00 53.44 O ATOM 571 CB PRO A 416 -3.192 -10.191 -9.728 1.00 13.22 C ATOM 572 CG PRO A 416 -2.039 -10.710 -8.882 1.00 21.34 C ATOM 573 CD PRO A 416 -2.643 -10.776 -7.484 1.00 24.41 C ATOM 0 HA PRO A 416 -3.824 -8.235 -8.923 1.00 44.30 H new ATOM 0 HB2 PRO A 416 -3.796 -11.011 -10.118 1.00 13.22 H new ATOM 0 HB3 PRO A 416 -2.829 -9.626 -10.586 1.00 13.22 H new ATOM 0 HG2 PRO A 416 -1.698 -11.688 -9.221 1.00 21.34 H new ATOM 0 HG3 PRO A 416 -1.179 -10.042 -8.919 1.00 21.34 H new ATOM 0 HD2 PRO A 416 -3.120 -11.740 -7.308 1.00 24.41 H new ATOM 0 HD3 PRO A 416 -1.875 -10.656 -6.719 1.00 24.41 H new ATOM 578 N PRO A 417 -6.082 -8.868 -10.093 1.00 70.32 N ATOM 579 CA PRO A 417 -7.497 -8.989 -10.462 1.00 42.01 C ATOM 580 C PRO A 417 -7.800 -10.378 -11.042 1.00 33.31 C ATOM 581 O PRO A 417 -6.863 -11.123 -11.356 1.00 11.44 O ATOM 582 CB PRO A 417 -7.731 -7.934 -11.563 1.00 75.42 C ATOM 583 CG PRO A 417 -6.348 -7.753 -12.178 1.00 31.13 C ATOM 584 CD PRO A 417 -5.418 -7.922 -10.979 1.00 71.24 C ATOM 0 HA PRO A 417 -8.136 -8.845 -9.590 1.00 42.01 H new ATOM 0 HB2 PRO A 417 -8.457 -8.277 -12.300 1.00 75.42 H new ATOM 0 HB3 PRO A 417 -8.113 -7.000 -11.150 1.00 75.42 H new ATOM 0 HG2 PRO A 417 -6.149 -8.495 -12.951 1.00 31.13 H new ATOM 0 HG3 PRO A 417 -6.237 -6.772 -12.641 1.00 31.13 H new ATOM 0 HD2 PRO A 417 -4.443 -8.296 -11.290 1.00 71.24 H new ATOM 0 HD3 PRO A 417 -5.249 -6.969 -10.478 1.00 71.24 H new ATOM 589 N PRO A 418 -9.079 -10.748 -11.214 1.00 25.00 N ATOM 590 CA PRO A 418 -9.451 -12.032 -11.806 1.00 12.23 C ATOM 591 C PRO A 418 -9.085 -12.044 -13.301 1.00 52.21 C ATOM 592 O PRO A 418 -8.788 -10.996 -13.885 1.00 52.02 O ATOM 593 CB PRO A 418 -10.959 -12.149 -11.580 1.00 45.11 C ATOM 594 CG PRO A 418 -11.443 -10.702 -11.451 1.00 34.13 C ATOM 595 CD PRO A 418 -10.251 -9.961 -10.859 1.00 75.45 C ATOM 0 HA PRO A 418 -8.926 -12.877 -11.361 1.00 12.23 H new ATOM 0 HB2 PRO A 418 -11.446 -12.657 -12.412 1.00 45.11 H new ATOM 0 HB3 PRO A 418 -11.182 -12.723 -10.681 1.00 45.11 H new ATOM 0 HG2 PRO A 418 -11.728 -10.289 -12.419 1.00 34.13 H new ATOM 0 HG3 PRO A 418 -12.318 -10.631 -10.804 1.00 34.13 H new ATOM 0 HD2 PRO A 418 -10.180 -8.950 -11.261 1.00 75.45 H new ATOM 0 HD3 PRO A 418 -10.346 -9.868 -9.777 1.00 75.45 H new ATOM 826 N VAL B 17 -4.194 13.267 3.639 1.00 4.41 N ATOM 827 CA VAL B 17 -4.705 12.113 2.901 1.00 3.41 C ATOM 828 C VAL B 17 -3.778 11.845 1.719 1.00 4.22 C ATOM 829 O VAL B 17 -3.378 12.787 1.026 1.00 11.31 O ATOM 830 CB VAL B 17 -6.134 12.395 2.384 1.00 11.12 C ATOM 831 CG1 VAL B 17 -6.697 11.230 1.558 1.00 31.35 C ATOM 832 CG2 VAL B 17 -7.127 12.733 3.499 1.00 3.31 C ATOM 0 HA VAL B 17 -4.740 11.245 3.560 1.00 3.41 H new ATOM 0 HB VAL B 17 -6.023 13.272 1.746 1.00 11.12 H new ATOM 0 HG11 VAL B 17 -7.703 11.478 1.218 1.00 31.35 H new ATOM 0 HG12 VAL B 17 -6.056 11.053 0.695 1.00 31.35 H new ATOM 0 HG13 VAL B 17 -6.733 10.331 2.174 1.00 31.35 H new ATOM 0 HG21 VAL B 17 -8.110 12.920 3.067 1.00 3.31 H new ATOM 0 HG22 VAL B 17 -7.190 11.897 4.196 1.00 3.31 H new ATOM 0 HG23 VAL B 17 -6.789 13.623 4.030 1.00 3.31 H new ATOM 842 N ASN B 18 -3.475 10.572 1.463 1.00 54.23 N ATOM 843 CA ASN B 18 -2.629 10.112 0.362 1.00 33.53 C ATOM 844 C ASN B 18 -3.354 9.016 -0.421 1.00 42.32 C ATOM 845 O ASN B 18 -4.386 8.490 0.008 1.00 74.42 O ATOM 846 CB ASN B 18 -1.281 9.609 0.891 1.00 34.31 C ATOM 847 CG ASN B 18 -0.313 10.748 1.143 1.00 35.42 C ATOM 848 OD1 ASN B 18 0.184 11.367 0.208 1.00 65.12 O ATOM 849 ND2 ASN B 18 0.037 11.011 2.385 1.00 32.41 N ATOM 0 H ASN B 18 -3.825 9.805 2.038 1.00 54.23 H new ATOM 0 HA ASN B 18 -2.431 10.948 -0.309 1.00 33.53 H new ATOM 0 HB2 ASN B 18 -1.438 9.054 1.816 1.00 34.31 H new ATOM 0 HB3 ASN B 18 -0.845 8.914 0.173 1.00 34.31 H new ATOM 0 HD21 ASN B 18 0.728 11.736 2.577 1.00 32.41 H new ATOM 0 HD22 ASN B 18 -0.383 10.490 3.155 1.00 32.41 H new ATOM 855 N ARG B 19 -2.781 8.623 -1.561 1.00 52.33 N ATOM 856 CA ARG B 19 -3.351 7.608 -2.441 1.00 61.44 C ATOM 857 C ARG B 19 -3.387 6.210 -1.800 1.00 12.45 C ATOM 858 O ARG B 19 -4.252 5.406 -2.149 1.00 52.03 O ATOM 859 CB ARG B 19 -2.545 7.536 -3.749 1.00 52.41 C ATOM 860 CG ARG B 19 -2.642 8.808 -4.615 1.00 22.21 C ATOM 861 CD ARG B 19 -1.672 9.941 -4.278 1.00 63.24 C ATOM 862 NE ARG B 19 -0.267 9.567 -4.488 1.00 3.12 N ATOM 863 CZ ARG B 19 0.724 10.398 -4.825 1.00 71.12 C ATOM 864 NH1 ARG B 19 0.494 11.673 -5.098 1.00 2.40 N ATOM 865 NH2 ARG B 19 1.965 9.958 -4.901 1.00 50.00 N ATOM 0 H ARG B 19 -1.899 9.007 -1.900 1.00 52.33 H new ATOM 0 HA ARG B 19 -4.380 7.908 -2.637 1.00 61.44 H new ATOM 0 HB2 ARG B 19 -1.498 7.351 -3.509 1.00 52.41 H new ATOM 0 HB3 ARG B 19 -2.894 6.684 -4.332 1.00 52.41 H new ATOM 0 HG2 ARG B 19 -2.486 8.524 -5.656 1.00 22.21 H new ATOM 0 HG3 ARG B 19 -3.658 9.195 -4.539 1.00 22.21 H new ATOM 0 HD2 ARG B 19 -1.908 10.810 -4.892 1.00 63.24 H new ATOM 0 HD3 ARG B 19 -1.813 10.237 -3.239 1.00 63.24 H new ATOM 0 HE ARG B 19 -0.026 8.584 -4.365 1.00 3.12 H new ATOM 0 HH11 ARG B 19 -0.456 12.041 -5.053 1.00 2.40 H new ATOM 0 HH12 ARG B 19 1.267 12.288 -5.353 1.00 2.40 H new ATOM 0 HH21 ARG B 19 2.172 8.979 -4.702 1.00 50.00 H new ATOM 0 HH22 ARG B 19 2.718 10.596 -5.159 1.00 50.00 H new ATOM 876 N ILE B 20 -2.439 5.905 -0.905 1.00 44.11 N ATOM 877 CA ILE B 20 -2.300 4.621 -0.213 1.00 74.23 C ATOM 878 C ILE B 20 -3.219 4.598 1.013 1.00 1.44 C ATOM 879 O ILE B 20 -3.220 5.547 1.801 1.00 42.04 O ATOM 880 CB ILE B 20 -0.815 4.396 0.178 1.00 24.43 C ATOM 881 CG1 ILE B 20 0.144 4.491 -1.039 1.00 62.21 C ATOM 882 CG2 ILE B 20 -0.644 3.018 0.851 1.00 51.32 C ATOM 883 CD1 ILE B 20 1.613 4.676 -0.639 1.00 1.10 C ATOM 0 H ILE B 20 -1.719 6.575 -0.633 1.00 44.11 H new ATOM 0 HA ILE B 20 -2.598 3.806 -0.873 1.00 74.23 H new ATOM 0 HB ILE B 20 -0.550 5.192 0.873 1.00 24.43 H new ATOM 0 HG12 ILE B 20 0.049 3.586 -1.639 1.00 62.21 H new ATOM 0 HG13 ILE B 20 -0.162 5.326 -1.670 1.00 62.21 H new ATOM 0 HG21 ILE B 20 0.402 2.872 1.121 1.00 51.32 H new ATOM 0 HG22 ILE B 20 -1.260 2.973 1.749 1.00 51.32 H new ATOM 0 HG23 ILE B 20 -0.953 2.234 0.159 1.00 51.32 H new ATOM 0 HD11 ILE B 20 2.230 4.735 -1.536 1.00 1.10 H new ATOM 0 HD12 ILE B 20 1.720 5.595 -0.064 1.00 1.10 H new ATOM 0 HD13 ILE B 20 1.934 3.829 -0.033 1.00 1.10 H new ATOM 894 N LEU B 21 -3.946 3.498 1.226 1.00 11.24 N ATOM 895 CA LEU B 21 -4.890 3.290 2.325 1.00 14.42 C ATOM 896 C LEU B 21 -4.570 1.999 3.086 1.00 34.30 C ATOM 897 O LEU B 21 -3.943 1.096 2.521 1.00 42.21 O ATOM 898 CB LEU B 21 -6.302 3.244 1.720 1.00 11.21 C ATOM 899 CG LEU B 21 -6.739 4.554 1.031 1.00 40.14 C ATOM 900 CD1 LEU B 21 -8.114 4.353 0.407 1.00 44.23 C ATOM 901 CD2 LEU B 21 -6.818 5.750 1.990 1.00 52.23 C ATOM 0 H LEU B 21 -3.889 2.690 0.606 1.00 11.24 H new ATOM 0 HA LEU B 21 -4.818 4.104 3.047 1.00 14.42 H new ATOM 0 HB2 LEU B 21 -6.348 2.432 0.994 1.00 11.21 H new ATOM 0 HB3 LEU B 21 -7.015 3.006 2.509 1.00 11.21 H new ATOM 0 HG LEU B 21 -5.980 4.782 0.283 1.00 40.14 H new ATOM 0 HD11 LEU B 21 -8.430 5.275 -0.082 1.00 44.23 H new ATOM 0 HD12 LEU B 21 -8.066 3.550 -0.329 1.00 44.23 H new ATOM 0 HD13 LEU B 21 -8.831 4.090 1.184 1.00 44.23 H new ATOM 0 HD21 LEU B 21 -7.131 6.637 1.440 1.00 52.23 H new ATOM 0 HD22 LEU B 21 -7.541 5.538 2.778 1.00 52.23 H new ATOM 0 HD23 LEU B 21 -5.838 5.925 2.434 1.00 52.23 H new ATOM 912 N TYR B 22 -5.032 1.880 4.340 1.00 44.44 N ATOM 913 CA TYR B 22 -4.806 0.736 5.227 1.00 63.23 C ATOM 914 C TYR B 22 -6.134 0.225 5.799 1.00 52.23 C ATOM 915 O TYR B 22 -6.769 0.877 6.634 1.00 1.42 O ATOM 916 CB TYR B 22 -3.813 1.159 6.319 1.00 15.32 C ATOM 917 CG TYR B 22 -3.498 0.110 7.369 1.00 30.31 C ATOM 918 CD1 TYR B 22 -3.049 -1.173 7.001 1.00 12.10 C ATOM 919 CD2 TYR B 22 -3.591 0.445 8.730 1.00 22.25 C ATOM 920 CE1 TYR B 22 -2.667 -2.103 7.987 1.00 15.21 C ATOM 921 CE2 TYR B 22 -3.244 -0.490 9.721 1.00 41.43 C ATOM 922 CZ TYR B 22 -2.755 -1.763 9.352 1.00 2.52 C ATOM 923 OH TYR B 22 -2.382 -2.657 10.309 1.00 41.13 O ATOM 0 H TYR B 22 -5.595 2.609 4.778 1.00 44.44 H new ATOM 0 HA TYR B 22 -4.375 -0.099 4.674 1.00 63.23 H new ATOM 0 HB2 TYR B 22 -2.881 1.457 5.840 1.00 15.32 H new ATOM 0 HB3 TYR B 22 -4.209 2.041 6.822 1.00 15.32 H new ATOM 0 HD1 TYR B 22 -2.997 -1.445 5.957 1.00 12.10 H new ATOM 0 HD2 TYR B 22 -3.932 1.429 9.017 1.00 22.25 H new ATOM 0 HE1 TYR B 22 -2.306 -3.079 7.697 1.00 15.21 H new ATOM 0 HE2 TYR B 22 -3.351 -0.235 10.765 1.00 41.43 H new ATOM 0 HH TYR B 22 -2.284 -2.195 11.168 1.00 41.13 H new ATOM 932 N ILE B 23 -6.555 -0.947 5.320 1.00 42.42 N ATOM 933 CA ILE B 23 -7.789 -1.649 5.663 1.00 72.12 C ATOM 934 C ILE B 23 -7.434 -2.752 6.694 1.00 74.30 C ATOM 935 O ILE B 23 -6.345 -3.334 6.653 1.00 3.23 O ATOM 936 CB ILE B 23 -8.419 -2.157 4.329 1.00 55.34 C ATOM 937 CG1 ILE B 23 -8.342 -1.138 3.156 1.00 52.14 C ATOM 938 CG2 ILE B 23 -9.887 -2.614 4.428 1.00 61.22 C ATOM 939 CD1 ILE B 23 -8.970 0.244 3.409 1.00 33.31 C ATOM 0 H ILE B 23 -6.004 -1.464 4.635 1.00 42.42 H new ATOM 0 HA ILE B 23 -8.543 -1.023 6.141 1.00 72.12 H new ATOM 0 HB ILE B 23 -7.788 -3.021 4.120 1.00 55.34 H new ATOM 0 HG12 ILE B 23 -7.293 -0.994 2.896 1.00 52.14 H new ATOM 0 HG13 ILE B 23 -8.828 -1.580 2.286 1.00 52.14 H new ATOM 0 HG21 ILE B 23 -10.231 -2.948 3.449 1.00 61.22 H new ATOM 0 HG22 ILE B 23 -9.965 -3.436 5.140 1.00 61.22 H new ATOM 0 HG23 ILE B 23 -10.505 -1.782 4.765 1.00 61.22 H new ATOM 0 HD11 ILE B 23 -8.854 0.865 2.520 1.00 33.31 H new ATOM 0 HD12 ILE B 23 -10.030 0.126 3.633 1.00 33.31 H new ATOM 0 HD13 ILE B 23 -8.471 0.721 4.253 1.00 33.31 H new ATOM 950 N ARG B 24 -8.323 -3.026 7.653 1.00 71.15 N ATOM 951 CA ARG B 24 -8.201 -3.995 8.745 1.00 72.25 C ATOM 952 C ARG B 24 -9.549 -4.642 9.055 1.00 73.22 C ATOM 953 O ARG B 24 -10.594 -4.141 8.658 1.00 14.21 O ATOM 954 CB ARG B 24 -7.680 -3.328 10.031 1.00 52.14 C ATOM 955 CG ARG B 24 -6.290 -2.693 9.917 1.00 34.33 C ATOM 956 CD ARG B 24 -5.717 -2.376 11.305 1.00 3.52 C ATOM 957 NE ARG B 24 -6.247 -1.144 11.905 1.00 14.22 N ATOM 958 CZ ARG B 24 -6.108 -0.839 13.207 1.00 63.11 C ATOM 959 NH1 ARG B 24 -5.459 -1.651 14.039 1.00 23.25 N ATOM 960 NH2 ARG B 24 -6.635 0.277 13.691 1.00 3.24 N ATOM 0 H ARG B 24 -9.217 -2.537 7.688 1.00 71.15 H new ATOM 0 HA ARG B 24 -7.492 -4.753 8.414 1.00 72.25 H new ATOM 0 HB2 ARG B 24 -8.390 -2.559 10.336 1.00 52.14 H new ATOM 0 HB3 ARG B 24 -7.657 -4.074 10.825 1.00 52.14 H new ATOM 0 HG2 ARG B 24 -5.619 -3.370 9.388 1.00 34.33 H new ATOM 0 HG3 ARG B 24 -6.351 -1.779 9.327 1.00 34.33 H new ATOM 0 HD2 ARG B 24 -5.927 -3.212 11.972 1.00 3.52 H new ATOM 0 HD3 ARG B 24 -4.633 -2.293 11.229 1.00 3.52 H new ATOM 0 HE ARG B 24 -6.745 -0.488 11.304 1.00 14.22 H new ATOM 0 HH11 ARG B 24 -5.057 -2.522 13.692 1.00 23.25 H new ATOM 0 HH12 ARG B 24 -5.364 -1.402 15.024 1.00 23.25 H new ATOM 0 HH21 ARG B 24 -7.148 0.908 13.075 1.00 3.24 H new ATOM 0 HH22 ARG B 24 -6.527 0.505 14.679 1.00 3.24 H new ATOM 971 N ASN B 25 -9.537 -5.756 9.786 1.00 62.11 N ATOM 972 CA ASN B 25 -10.733 -6.526 10.181 1.00 12.44 C ATOM 973 C ASN B 25 -11.335 -7.280 8.991 1.00 13.32 C ATOM 974 O ASN B 25 -12.458 -7.779 9.075 1.00 2.20 O ATOM 975 CB ASN B 25 -11.795 -5.631 10.869 1.00 51.11 C ATOM 976 CG ASN B 25 -12.777 -6.397 11.740 1.00 2.31 C ATOM 977 OD1 ASN B 25 -12.467 -7.464 12.270 1.00 12.50 O ATOM 978 ND2 ASN B 25 -13.947 -5.834 11.985 1.00 42.24 N ATOM 0 H ASN B 25 -8.671 -6.167 10.134 1.00 62.11 H new ATOM 0 HA ASN B 25 -10.407 -7.265 10.912 1.00 12.44 H new ATOM 0 HB2 ASN B 25 -11.286 -4.886 11.481 1.00 51.11 H new ATOM 0 HB3 ASN B 25 -12.350 -5.089 10.103 1.00 51.11 H new ATOM 0 HD21 ASN B 25 -14.606 -6.284 12.620 1.00 42.24 H new ATOM 0 HD22 ASN B 25 -14.191 -4.950 11.539 1.00 42.24 H new ATOM 984 N LEU B 26 -10.604 -7.335 7.873 1.00 62.53 N ATOM 985 CA LEU B 26 -11.016 -7.991 6.642 1.00 45.55 C ATOM 986 C LEU B 26 -11.188 -9.491 6.847 1.00 31.22 C ATOM 987 O LEU B 26 -10.507 -10.075 7.699 1.00 34.44 O ATOM 988 CB LEU B 26 -9.974 -7.736 5.537 1.00 53.55 C ATOM 989 CG LEU B 26 -10.050 -6.311 4.967 1.00 52.41 C ATOM 990 CD1 LEU B 26 -8.815 -6.071 4.101 1.00 73.12 C ATOM 991 CD2 LEU B 26 -11.308 -6.083 4.117 1.00 71.50 C ATOM 0 H LEU B 26 -9.680 -6.908 7.805 1.00 62.53 H new ATOM 0 HA LEU B 26 -11.977 -7.573 6.343 1.00 45.55 H new ATOM 0 HB2 LEU B 26 -8.975 -7.910 5.938 1.00 53.55 H new ATOM 0 HB3 LEU B 26 -10.123 -8.454 4.730 1.00 53.55 H new ATOM 0 HG LEU B 26 -10.093 -5.616 5.805 1.00 52.41 H new ATOM 0 HD11 LEU B 26 -8.851 -5.063 3.687 1.00 73.12 H new ATOM 0 HD12 LEU B 26 -7.917 -6.182 4.709 1.00 73.12 H new ATOM 0 HD13 LEU B 26 -8.794 -6.797 3.288 1.00 73.12 H new ATOM 0 HD21 LEU B 26 -11.311 -5.061 3.739 1.00 71.50 H new ATOM 0 HD22 LEU B 26 -11.312 -6.780 3.279 1.00 71.50 H new ATOM 0 HD23 LEU B 26 -12.195 -6.247 4.729 1.00 71.50 H new ATOM 1002 N PRO B 27 -12.027 -10.135 6.023 1.00 33.11 N ATOM 1003 CA PRO B 27 -12.277 -11.556 6.132 1.00 2.14 C ATOM 1004 C PRO B 27 -11.062 -12.398 5.749 1.00 72.04 C ATOM 1005 O PRO B 27 -10.244 -12.009 4.907 1.00 73.14 O ATOM 1006 CB PRO B 27 -13.481 -11.829 5.225 1.00 2.31 C ATOM 1007 CG PRO B 27 -13.409 -10.718 4.185 1.00 21.10 C ATOM 1008 CD PRO B 27 -12.865 -9.545 4.988 1.00 32.31 C ATOM 0 HA PRO B 27 -12.482 -11.840 7.164 1.00 2.14 H new ATOM 0 HB2 PRO B 27 -13.419 -12.814 4.763 1.00 2.31 H new ATOM 0 HB3 PRO B 27 -14.417 -11.796 5.782 1.00 2.31 H new ATOM 0 HG2 PRO B 27 -12.752 -10.981 3.356 1.00 21.10 H new ATOM 0 HG3 PRO B 27 -14.388 -10.498 3.759 1.00 21.10 H new ATOM 0 HD2 PRO B 27 -12.289 -8.870 4.355 1.00 32.31 H new ATOM 0 HD3 PRO B 27 -13.674 -8.960 5.425 1.00 32.31 H new ATOM 1013 N TYR B 28 -10.953 -13.583 6.351 1.00 64.40 N ATOM 1014 CA TYR B 28 -9.857 -14.511 6.066 1.00 33.12 C ATOM 1015 C TYR B 28 -10.169 -15.344 4.812 1.00 55.05 C ATOM 1016 O TYR B 28 -9.266 -15.973 4.256 1.00 74.10 O ATOM 1017 CB TYR B 28 -9.556 -15.387 7.292 1.00 1.21 C ATOM 1018 CG TYR B 28 -9.212 -14.585 8.539 1.00 52.41 C ATOM 1019 CD1 TYR B 28 -8.018 -13.838 8.591 1.00 33.22 C ATOM 1020 CD2 TYR B 28 -10.096 -14.552 9.635 1.00 51.23 C ATOM 1021 CE1 TYR B 28 -7.728 -13.036 9.709 1.00 12.03 C ATOM 1022 CE2 TYR B 28 -9.812 -13.745 10.752 1.00 31.51 C ATOM 1023 CZ TYR B 28 -8.638 -12.963 10.784 1.00 61.22 C ATOM 1024 OH TYR B 28 -8.377 -12.168 11.858 1.00 51.40 O ATOM 0 H TYR B 28 -11.617 -13.925 7.045 1.00 64.40 H new ATOM 0 HA TYR B 28 -8.953 -13.939 5.854 1.00 33.12 H new ATOM 0 HB2 TYR B 28 -10.421 -16.016 7.501 1.00 1.21 H new ATOM 0 HB3 TYR B 28 -8.726 -16.054 7.058 1.00 1.21 H new ATOM 0 HD1 TYR B 28 -7.321 -13.882 7.767 1.00 33.22 H new ATOM 0 HD2 TYR B 28 -10.996 -15.149 9.618 1.00 51.23 H new ATOM 0 HE1 TYR B 28 -6.806 -12.475 9.745 1.00 12.03 H new ATOM 0 HE2 TYR B 28 -10.495 -13.724 11.588 1.00 31.51 H new ATOM 0 HH TYR B 28 -9.111 -12.239 12.503 1.00 51.40 H new ATOM 1033 N LYS B 29 -11.431 -15.369 4.358 1.00 51.35 N ATOM 1034 CA LYS B 29 -11.891 -16.082 3.171 1.00 50.32 C ATOM 1035 C LYS B 29 -12.700 -15.102 2.333 1.00 25.24 C ATOM 1036 O LYS B 29 -13.770 -14.674 2.766 1.00 70.24 O ATOM 1037 CB LYS B 29 -12.706 -17.337 3.527 1.00 55.14 C ATOM 1038 CG LYS B 29 -11.815 -18.413 4.160 1.00 53.22 C ATOM 1039 CD LYS B 29 -12.532 -19.763 4.294 1.00 50.22 C ATOM 1040 CE LYS B 29 -11.747 -20.750 5.171 1.00 32.13 C ATOM 1041 NZ LYS B 29 -10.357 -20.953 4.711 1.00 70.13 N ATOM 0 H LYS B 29 -12.185 -14.871 4.832 1.00 51.35 H new ATOM 0 HA LYS B 29 -11.034 -16.445 2.603 1.00 50.32 H new ATOM 0 HB2 LYS B 29 -13.506 -17.071 4.217 1.00 55.14 H new ATOM 0 HB3 LYS B 29 -13.179 -17.734 2.629 1.00 55.14 H new ATOM 0 HG2 LYS B 29 -10.918 -18.540 3.554 1.00 53.22 H new ATOM 0 HG3 LYS B 29 -11.490 -18.078 5.145 1.00 53.22 H new ATOM 0 HD2 LYS B 29 -13.522 -19.606 4.722 1.00 50.22 H new ATOM 0 HD3 LYS B 29 -12.678 -20.195 3.304 1.00 50.22 H new ATOM 0 HE2 LYS B 29 -11.734 -20.384 6.198 1.00 32.13 H new ATOM 0 HE3 LYS B 29 -12.264 -21.709 5.181 1.00 32.13 H new ATOM 0 HZ1 LYS B 29 -9.921 -21.725 5.254 1.00 70.13 H new ATOM 0 HZ2 LYS B 29 -10.358 -21.199 3.700 1.00 70.13 H new ATOM 0 HZ3 LYS B 29 -9.813 -20.078 4.854 1.00 70.13 H new ATOM 1051 N ILE B 30 -12.146 -14.700 1.198 1.00 23.12 N ATOM 1052 CA ILE B 30 -12.691 -13.788 0.196 1.00 64.15 C ATOM 1053 C ILE B 30 -11.856 -14.028 -1.075 1.00 22.10 C ATOM 1054 O ILE B 30 -10.838 -14.736 -1.018 1.00 15.43 O ATOM 1055 CB ILE B 30 -12.670 -12.325 0.714 1.00 14.54 C ATOM 1056 CG1 ILE B 30 -13.363 -11.352 -0.266 1.00 44.12 C ATOM 1057 CG2 ILE B 30 -11.245 -11.846 1.056 1.00 51.01 C ATOM 1058 CD1 ILE B 30 -13.790 -10.021 0.364 1.00 1.51 C ATOM 0 H ILE B 30 -11.220 -15.033 0.929 1.00 23.12 H new ATOM 0 HA ILE B 30 -13.743 -13.972 -0.024 1.00 64.15 H new ATOM 0 HB ILE B 30 -13.244 -12.322 1.641 1.00 14.54 H new ATOM 0 HG12 ILE B 30 -12.687 -11.147 -1.096 1.00 44.12 H new ATOM 0 HG13 ILE B 30 -14.242 -11.841 -0.685 1.00 44.12 H new ATOM 0 HG21 ILE B 30 -11.283 -10.817 1.414 1.00 51.01 H new ATOM 0 HG22 ILE B 30 -10.823 -12.485 1.832 1.00 51.01 H new ATOM 0 HG23 ILE B 30 -10.620 -11.897 0.164 1.00 51.01 H new ATOM 0 HD11 ILE B 30 -14.268 -9.397 -0.392 1.00 1.51 H new ATOM 0 HD12 ILE B 30 -14.493 -10.211 1.175 1.00 1.51 H new ATOM 0 HD13 ILE B 30 -12.913 -9.507 0.757 1.00 1.51 H new ATOM 1069 N THR B 31 -12.244 -13.458 -2.210 1.00 13.34 N ATOM 1070 CA THR B 31 -11.555 -13.601 -3.484 1.00 72.14 C ATOM 1071 C THR B 31 -11.239 -12.227 -4.062 1.00 62.20 C ATOM 1072 O THR B 31 -11.775 -11.217 -3.600 1.00 61.23 O ATOM 1073 CB THR B 31 -12.463 -14.400 -4.437 1.00 4.20 C ATOM 1074 OG1 THR B 31 -13.771 -13.860 -4.432 1.00 54.24 O ATOM 1075 CG2 THR B 31 -12.524 -15.869 -4.033 1.00 70.23 C ATOM 0 H THR B 31 -13.072 -12.866 -2.269 1.00 13.34 H new ATOM 0 HA THR B 31 -10.612 -14.131 -3.349 1.00 72.14 H new ATOM 0 HB THR B 31 -12.040 -14.329 -5.439 1.00 4.20 H new ATOM 0 HG1 THR B 31 -14.340 -14.374 -5.042 1.00 54.24 H new ATOM 0 HG21 THR B 31 -13.172 -16.409 -4.723 1.00 70.23 H new ATOM 0 HG22 THR B 31 -11.522 -16.297 -4.065 1.00 70.23 H new ATOM 0 HG23 THR B 31 -12.922 -15.952 -3.021 1.00 70.23 H new ATOM 1083 N ALA B 32 -10.362 -12.181 -5.071 1.00 11.35 N ATOM 1084 CA ALA B 32 -10.032 -10.916 -5.714 1.00 1.14 C ATOM 1085 C ALA B 32 -11.302 -10.353 -6.363 1.00 12.10 C ATOM 1086 O ALA B 32 -11.488 -9.145 -6.391 1.00 4.21 O ATOM 1087 CB ALA B 32 -8.935 -11.117 -6.761 1.00 23.20 C ATOM 0 H ALA B 32 -9.878 -12.994 -5.451 1.00 11.35 H new ATOM 0 HA ALA B 32 -9.656 -10.212 -4.972 1.00 1.14 H new ATOM 0 HB1 ALA B 32 -8.701 -10.162 -7.231 1.00 23.20 H new ATOM 0 HB2 ALA B 32 -8.041 -11.513 -6.280 1.00 23.20 H new ATOM 0 HB3 ALA B 32 -9.280 -11.820 -7.519 1.00 23.20 H new ATOM 1093 N GLU B 33 -12.171 -11.240 -6.849 1.00 71.43 N ATOM 1094 CA GLU B 33 -13.434 -10.927 -7.496 1.00 14.12 C ATOM 1095 C GLU B 33 -14.311 -10.122 -6.540 1.00 13.13 C ATOM 1096 O GLU B 33 -14.735 -9.026 -6.895 1.00 21.43 O ATOM 1097 CB GLU B 33 -14.110 -12.242 -7.924 1.00 42.32 C ATOM 1098 CG GLU B 33 -13.275 -12.903 -9.026 1.00 14.55 C ATOM 1099 CD GLU B 33 -13.676 -14.345 -9.287 1.00 5.22 C ATOM 1100 OE1 GLU B 33 -14.559 -14.584 -10.136 1.00 52.14 O ATOM 1101 OE2 GLU B 33 -12.976 -15.260 -8.793 1.00 1.44 O ATOM 0 H GLU B 33 -11.999 -12.244 -6.797 1.00 71.43 H new ATOM 0 HA GLU B 33 -13.272 -10.319 -8.386 1.00 14.12 H new ATOM 0 HB2 GLU B 33 -14.202 -12.912 -7.069 1.00 42.32 H new ATOM 0 HB3 GLU B 33 -15.120 -12.045 -8.285 1.00 42.32 H new ATOM 0 HG2 GLU B 33 -13.379 -12.330 -9.947 1.00 14.55 H new ATOM 0 HG3 GLU B 33 -12.222 -12.869 -8.747 1.00 14.55 H new ATOM 1106 N GLU B 34 -14.548 -10.651 -5.334 1.00 13.14 N ATOM 1107 CA GLU B 34 -15.359 -10.034 -4.290 1.00 30.04 C ATOM 1108 C GLU B 34 -14.732 -8.731 -3.795 1.00 10.43 C ATOM 1109 O GLU B 34 -15.453 -7.794 -3.465 1.00 43.12 O ATOM 1110 CB GLU B 34 -15.462 -11.024 -3.127 1.00 3.11 C ATOM 1111 CG GLU B 34 -16.342 -12.239 -3.443 1.00 21.12 C ATOM 1112 CD GLU B 34 -17.788 -12.022 -3.014 1.00 51.12 C ATOM 1113 OE1 GLU B 34 -18.510 -11.187 -3.618 1.00 40.32 O ATOM 1114 OE2 GLU B 34 -18.217 -12.700 -2.058 1.00 45.04 O ATOM 0 H GLU B 34 -14.164 -11.553 -5.053 1.00 13.14 H new ATOM 0 HA GLU B 34 -16.343 -9.796 -4.693 1.00 30.04 H new ATOM 0 HB2 GLU B 34 -14.462 -11.367 -2.861 1.00 3.11 H new ATOM 0 HB3 GLU B 34 -15.865 -10.509 -2.255 1.00 3.11 H new ATOM 0 HG2 GLU B 34 -16.308 -12.443 -4.513 1.00 21.12 H new ATOM 0 HG3 GLU B 34 -15.942 -13.118 -2.938 1.00 21.12 H new ATOM 1119 N MET B 35 -13.401 -8.669 -3.714 1.00 53.04 N ATOM 1120 CA MET B 35 -12.699 -7.472 -3.272 1.00 65.34 C ATOM 1121 C MET B 35 -12.953 -6.356 -4.291 1.00 53.40 C ATOM 1122 O MET B 35 -13.479 -5.298 -3.931 1.00 63.51 O ATOM 1123 CB MET B 35 -11.198 -7.778 -3.106 1.00 70.42 C ATOM 1124 CG MET B 35 -10.869 -8.541 -1.817 1.00 63.40 C ATOM 1125 SD MET B 35 -10.866 -7.561 -0.283 1.00 65.43 S ATOM 1126 CE MET B 35 -9.437 -6.477 -0.558 1.00 53.44 C ATOM 0 H MET B 35 -12.786 -9.446 -3.953 1.00 53.04 H new ATOM 0 HA MET B 35 -13.067 -7.142 -2.301 1.00 65.34 H new ATOM 0 HB2 MET B 35 -10.857 -8.361 -3.961 1.00 70.42 H new ATOM 0 HB3 MET B 35 -10.641 -6.841 -3.117 1.00 70.42 H new ATOM 0 HG2 MET B 35 -11.590 -9.351 -1.705 1.00 63.40 H new ATOM 0 HG3 MET B 35 -9.887 -9.001 -1.932 1.00 63.40 H new ATOM 0 HE1 MET B 35 -9.168 -5.986 0.377 1.00 53.44 H new ATOM 0 HE2 MET B 35 -8.594 -7.070 -0.912 1.00 53.44 H new ATOM 0 HE3 MET B 35 -9.690 -5.724 -1.304 1.00 53.44 H new ATOM 1134 N TYR B 36 -12.590 -6.587 -5.559 1.00 43.42 N ATOM 1135 CA TYR B 36 -12.756 -5.617 -6.637 1.00 75.01 C ATOM 1136 C TYR B 36 -14.228 -5.225 -6.798 1.00 61.10 C ATOM 1137 O TYR B 36 -14.502 -4.056 -7.062 1.00 12.40 O ATOM 1138 CB TYR B 36 -12.155 -6.153 -7.949 1.00 33.33 C ATOM 1139 CG TYR B 36 -10.662 -5.920 -8.157 1.00 31.25 C ATOM 1140 CD1 TYR B 36 -9.699 -6.634 -7.414 1.00 2.12 C ATOM 1141 CD2 TYR B 36 -10.229 -5.027 -9.157 1.00 73.02 C ATOM 1142 CE1 TYR B 36 -8.327 -6.484 -7.684 1.00 1.10 C ATOM 1143 CE2 TYR B 36 -8.858 -4.843 -9.408 1.00 12.25 C ATOM 1144 CZ TYR B 36 -7.898 -5.575 -8.674 1.00 70.12 C ATOM 1145 OH TYR B 36 -6.567 -5.433 -8.922 1.00 13.01 O ATOM 0 H TYR B 36 -12.168 -7.464 -5.864 1.00 43.42 H new ATOM 0 HA TYR B 36 -12.209 -4.711 -6.375 1.00 75.01 H new ATOM 0 HB2 TYR B 36 -12.343 -7.226 -7.998 1.00 33.33 H new ATOM 0 HB3 TYR B 36 -12.691 -5.697 -8.781 1.00 33.33 H new ATOM 0 HD1 TYR B 36 -10.019 -7.303 -6.629 1.00 2.12 H new ATOM 0 HD2 TYR B 36 -10.957 -4.479 -9.736 1.00 73.02 H new ATOM 0 HE1 TYR B 36 -7.602 -7.065 -7.133 1.00 1.10 H new ATOM 0 HE2 TYR B 36 -8.538 -4.141 -10.163 1.00 12.25 H new ATOM 0 HH TYR B 36 -6.435 -4.770 -9.632 1.00 13.01 H new ATOM 1154 N ASP B 37 -15.164 -6.158 -6.598 1.00 3.35 N ATOM 1155 CA ASP B 37 -16.607 -5.930 -6.700 1.00 75.13 C ATOM 1156 C ASP B 37 -17.085 -4.860 -5.709 1.00 44.53 C ATOM 1157 O ASP B 37 -18.096 -4.204 -5.954 1.00 1.30 O ATOM 1158 CB ASP B 37 -17.337 -7.259 -6.469 1.00 40.24 C ATOM 1159 CG ASP B 37 -18.855 -7.116 -6.423 1.00 25.43 C ATOM 1160 OD1 ASP B 37 -19.473 -6.924 -7.489 1.00 52.25 O ATOM 1161 OD2 ASP B 37 -19.444 -7.311 -5.329 1.00 60.21 O ATOM 0 H ASP B 37 -14.931 -7.120 -6.354 1.00 3.35 H new ATOM 0 HA ASP B 37 -16.835 -5.555 -7.698 1.00 75.13 H new ATOM 0 HB2 ASP B 37 -17.069 -7.955 -7.264 1.00 40.24 H new ATOM 0 HB3 ASP B 37 -16.992 -7.697 -5.532 1.00 40.24 H new ATOM 1165 N ILE B 38 -16.372 -4.676 -4.591 1.00 73.05 N ATOM 1166 CA ILE B 38 -16.692 -3.683 -3.575 1.00 44.43 C ATOM 1167 C ILE B 38 -15.892 -2.401 -3.859 1.00 63.32 C ATOM 1168 O ILE B 38 -16.466 -1.383 -4.248 1.00 33.14 O ATOM 1169 CB ILE B 38 -16.465 -4.251 -2.147 1.00 23.14 C ATOM 1170 CG1 ILE B 38 -17.333 -5.507 -1.881 1.00 64.04 C ATOM 1171 CG2 ILE B 38 -16.792 -3.195 -1.067 1.00 55.15 C ATOM 1172 CD1 ILE B 38 -16.897 -6.287 -0.633 1.00 33.44 C ATOM 0 H ILE B 38 -15.542 -5.227 -4.369 1.00 73.05 H new ATOM 0 HA ILE B 38 -17.751 -3.428 -3.619 1.00 44.43 H new ATOM 0 HB ILE B 38 -15.411 -4.525 -2.091 1.00 23.14 H new ATOM 0 HG12 ILE B 38 -18.374 -5.205 -1.768 1.00 64.04 H new ATOM 0 HG13 ILE B 38 -17.285 -6.165 -2.749 1.00 64.04 H new ATOM 0 HG21 ILE B 38 -16.624 -3.622 -0.078 1.00 55.15 H new ATOM 0 HG22 ILE B 38 -16.148 -2.326 -1.201 1.00 55.15 H new ATOM 0 HG23 ILE B 38 -17.835 -2.892 -1.159 1.00 55.15 H new ATOM 0 HD11 ILE B 38 -17.544 -7.154 -0.502 1.00 33.44 H new ATOM 0 HD12 ILE B 38 -15.865 -6.618 -0.753 1.00 33.44 H new ATOM 0 HD13 ILE B 38 -16.972 -5.643 0.243 1.00 33.44 H new ATOM 1183 N PHE B 39 -14.566 -2.433 -3.672 1.00 5.14 N ATOM 1184 CA PHE B 39 -13.681 -1.278 -3.848 1.00 75.30 C ATOM 1185 C PHE B 39 -13.765 -0.605 -5.218 1.00 14.33 C ATOM 1186 O PHE B 39 -13.685 0.625 -5.270 1.00 34.15 O ATOM 1187 CB PHE B 39 -12.218 -1.653 -3.558 1.00 54.03 C ATOM 1188 CG PHE B 39 -11.911 -1.953 -2.104 1.00 55.54 C ATOM 1189 CD1 PHE B 39 -12.103 -3.247 -1.585 1.00 53.40 C ATOM 1190 CD2 PHE B 39 -11.439 -0.931 -1.257 1.00 2.14 C ATOM 1191 CE1 PHE B 39 -11.897 -3.504 -0.222 1.00 31.43 C ATOM 1192 CE2 PHE B 39 -11.233 -1.190 0.110 1.00 15.10 C ATOM 1193 CZ PHE B 39 -11.485 -2.469 0.630 1.00 64.21 C ATOM 0 H PHE B 39 -14.071 -3.279 -3.389 1.00 5.14 H new ATOM 0 HA PHE B 39 -14.042 -0.548 -3.123 1.00 75.30 H new ATOM 0 HB2 PHE B 39 -11.957 -2.526 -4.157 1.00 54.03 H new ATOM 0 HB3 PHE B 39 -11.577 -0.836 -3.888 1.00 54.03 H new ATOM 0 HD1 PHE B 39 -12.411 -4.048 -2.241 1.00 53.40 H new ATOM 0 HD2 PHE B 39 -11.235 0.051 -1.657 1.00 2.14 H new ATOM 0 HE1 PHE B 39 -12.055 -4.497 0.171 1.00 31.43 H new ATOM 0 HE2 PHE B 39 -10.880 -0.403 0.761 1.00 15.10 H new ATOM 0 HZ PHE B 39 -11.362 -2.656 1.686 1.00 64.21 H new ATOM 1202 N GLY B 40 -13.917 -1.371 -6.301 1.00 54.33 N ATOM 1203 CA GLY B 40 -13.991 -0.860 -7.666 1.00 41.24 C ATOM 1204 C GLY B 40 -15.181 0.067 -7.890 1.00 73.14 C ATOM 1205 O GLY B 40 -15.097 1.040 -8.644 1.00 32.11 O ATOM 0 H GLY B 40 -13.993 -2.387 -6.249 1.00 54.33 H new ATOM 0 HA2 GLY B 40 -13.071 -0.324 -7.898 1.00 41.24 H new ATOM 0 HA3 GLY B 40 -14.055 -1.699 -8.359 1.00 41.24 H new ATOM 1209 N LYS B 41 -16.306 -0.189 -7.216 1.00 51.14 N ATOM 1210 CA LYS B 41 -17.508 0.638 -7.351 1.00 41.35 C ATOM 1211 C LYS B 41 -17.248 2.041 -6.804 1.00 63.10 C ATOM 1212 O LYS B 41 -17.851 3.001 -7.273 1.00 64.41 O ATOM 1213 CB LYS B 41 -18.696 -0.034 -6.639 1.00 14.44 C ATOM 1214 CG LYS B 41 -18.981 -1.455 -7.156 1.00 41.13 C ATOM 1215 CD LYS B 41 -19.654 -1.522 -8.536 1.00 42.14 C ATOM 1216 CE LYS B 41 -21.180 -1.458 -8.466 1.00 14.52 C ATOM 1217 NZ LYS B 41 -21.738 -2.698 -7.891 1.00 3.30 N ATOM 0 H LYS B 41 -16.409 -0.969 -6.567 1.00 51.14 H new ATOM 0 HA LYS B 41 -17.761 0.734 -8.407 1.00 41.35 H new ATOM 0 HB2 LYS B 41 -18.494 -0.076 -5.569 1.00 14.44 H new ATOM 0 HB3 LYS B 41 -19.587 0.580 -6.771 1.00 14.44 H new ATOM 0 HG2 LYS B 41 -18.041 -2.005 -7.200 1.00 41.13 H new ATOM 0 HG3 LYS B 41 -19.616 -1.968 -6.434 1.00 41.13 H new ATOM 0 HD2 LYS B 41 -19.290 -0.699 -9.151 1.00 42.14 H new ATOM 0 HD3 LYS B 41 -19.358 -2.446 -9.033 1.00 42.14 H new ATOM 0 HE2 LYS B 41 -21.484 -0.604 -7.861 1.00 14.52 H new ATOM 0 HE3 LYS B 41 -21.587 -1.302 -9.465 1.00 14.52 H new ATOM 0 HZ1 LYS B 41 -22.752 -2.758 -8.113 1.00 3.30 H new ATOM 0 HZ2 LYS B 41 -21.246 -3.520 -8.295 1.00 3.30 H new ATOM 0 HZ3 LYS B 41 -21.610 -2.691 -6.859 1.00 3.30 H new ATOM 1227 N TYR B 42 -16.350 2.165 -5.823 1.00 13.54 N ATOM 1228 CA TYR B 42 -15.995 3.434 -5.208 1.00 13.42 C ATOM 1229 C TYR B 42 -14.999 4.199 -6.100 1.00 71.41 C ATOM 1230 O TYR B 42 -14.908 5.426 -6.011 1.00 62.31 O ATOM 1231 CB TYR B 42 -15.401 3.197 -3.808 1.00 1.42 C ATOM 1232 CG TYR B 42 -16.317 2.678 -2.700 1.00 2.43 C ATOM 1233 CD1 TYR B 42 -17.059 1.493 -2.852 1.00 73.23 C ATOM 1234 CD2 TYR B 42 -16.383 3.357 -1.464 1.00 62.43 C ATOM 1235 CE1 TYR B 42 -17.899 1.025 -1.829 1.00 12.03 C ATOM 1236 CE2 TYR B 42 -17.233 2.908 -0.438 1.00 2.22 C ATOM 1237 CZ TYR B 42 -18.013 1.746 -0.621 1.00 70.14 C ATOM 1238 OH TYR B 42 -18.843 1.329 0.374 1.00 1.43 O ATOM 0 H TYR B 42 -15.845 1.370 -5.432 1.00 13.54 H new ATOM 0 HA TYR B 42 -16.895 4.039 -5.102 1.00 13.42 H new ATOM 0 HB2 TYR B 42 -14.577 2.491 -3.914 1.00 1.42 H new ATOM 0 HB3 TYR B 42 -14.971 4.139 -3.467 1.00 1.42 H new ATOM 0 HD1 TYR B 42 -16.981 0.933 -3.772 1.00 73.23 H new ATOM 0 HD2 TYR B 42 -15.772 4.233 -1.304 1.00 62.43 H new ATOM 0 HE1 TYR B 42 -18.459 0.112 -1.967 1.00 12.03 H new ATOM 0 HE2 TYR B 42 -17.289 3.454 0.492 1.00 2.22 H new ATOM 0 HH TYR B 42 -18.787 1.952 1.129 1.00 1.43 H new ATOM 1247 N GLY B 43 -14.272 3.508 -6.980 1.00 54.21 N ATOM 1248 CA GLY B 43 -13.295 4.065 -7.903 1.00 14.30 C ATOM 1249 C GLY B 43 -12.280 2.984 -8.286 1.00 3.21 C ATOM 1250 O GLY B 43 -12.229 1.944 -7.628 1.00 62.44 O ATOM 0 H GLY B 43 -14.357 2.495 -7.069 1.00 54.21 H new ATOM 0 HA2 GLY B 43 -13.795 4.442 -8.795 1.00 14.30 H new ATOM 0 HA3 GLY B 43 -12.785 4.911 -7.442 1.00 14.30 H new ATOM 1254 N PRO B 44 -11.431 3.223 -9.295 1.00 54.34 N ATOM 1255 CA PRO B 44 -10.443 2.253 -9.751 1.00 42.13 C ATOM 1256 C PRO B 44 -9.393 1.904 -8.689 1.00 43.23 C ATOM 1257 O PRO B 44 -9.101 2.693 -7.782 1.00 41.41 O ATOM 1258 CB PRO B 44 -9.834 2.863 -11.019 1.00 21.03 C ATOM 1259 CG PRO B 44 -10.052 4.364 -10.825 1.00 60.22 C ATOM 1260 CD PRO B 44 -11.404 4.415 -10.124 1.00 3.41 C ATOM 0 HA PRO B 44 -10.909 1.289 -9.957 1.00 42.13 H new ATOM 0 HB2 PRO B 44 -8.776 2.619 -11.115 1.00 21.03 H new ATOM 0 HB3 PRO B 44 -10.328 2.497 -11.919 1.00 21.03 H new ATOM 0 HG2 PRO B 44 -9.264 4.813 -10.220 1.00 60.22 H new ATOM 0 HG3 PRO B 44 -10.068 4.898 -11.775 1.00 60.22 H new ATOM 0 HD2 PRO B 44 -11.505 5.319 -9.523 1.00 3.41 H new ATOM 0 HD3 PRO B 44 -12.224 4.417 -10.843 1.00 3.41 H new ATOM 1265 N ILE B 45 -8.732 0.757 -8.870 1.00 71.43 N ATOM 1266 CA ILE B 45 -7.709 0.191 -7.993 1.00 3.52 C ATOM 1267 C ILE B 45 -6.341 0.183 -8.695 1.00 50.53 C ATOM 1268 O ILE B 45 -6.236 -0.033 -9.903 1.00 63.10 O ATOM 1269 CB ILE B 45 -8.160 -1.204 -7.500 1.00 33.23 C ATOM 1270 CG1 ILE B 45 -9.681 -1.224 -7.177 1.00 3.31 C ATOM 1271 CG2 ILE B 45 -7.310 -1.563 -6.268 1.00 2.44 C ATOM 1272 CD1 ILE B 45 -10.184 -2.490 -6.492 1.00 53.35 C ATOM 0 H ILE B 45 -8.909 0.165 -9.682 1.00 71.43 H new ATOM 0 HA ILE B 45 -7.587 0.815 -7.108 1.00 3.52 H new ATOM 0 HB ILE B 45 -8.008 -1.948 -8.282 1.00 33.23 H new ATOM 0 HG12 ILE B 45 -9.912 -0.370 -6.541 1.00 3.31 H new ATOM 0 HG13 ILE B 45 -10.235 -1.088 -8.106 1.00 3.31 H new ATOM 0 HG21 ILE B 45 -7.605 -2.544 -5.896 1.00 2.44 H new ATOM 0 HG22 ILE B 45 -6.256 -1.582 -6.546 1.00 2.44 H new ATOM 0 HG23 ILE B 45 -7.466 -0.817 -5.488 1.00 2.44 H new ATOM 0 HD11 ILE B 45 -11.255 -2.404 -6.310 1.00 53.35 H new ATOM 0 HD12 ILE B 45 -9.992 -3.351 -7.132 1.00 53.35 H new ATOM 0 HD13 ILE B 45 -9.664 -2.621 -5.543 1.00 53.35 H new ATOM 1283 N ARG B 46 -5.265 0.423 -7.938 1.00 2.35 N ATOM 1284 CA ARG B 46 -3.887 0.481 -8.425 1.00 11.54 C ATOM 1285 C ARG B 46 -3.194 -0.794 -8.018 1.00 71.53 C ATOM 1286 O ARG B 46 -2.634 -1.477 -8.869 1.00 31.21 O ATOM 1287 CB ARG B 46 -3.175 1.744 -7.883 1.00 33.33 C ATOM 1288 CG ARG B 46 -2.067 2.319 -8.773 1.00 22.21 C ATOM 1289 CD ARG B 46 -0.906 1.370 -9.091 1.00 23.21 C ATOM 1290 NE ARG B 46 -0.048 1.919 -10.147 1.00 63.41 N ATOM 1291 CZ ARG B 46 -0.307 1.873 -11.464 1.00 22.13 C ATOM 1292 NH1 ARG B 46 -1.460 1.377 -11.913 1.00 52.25 N ATOM 1293 NH2 ARG B 46 0.569 2.358 -12.337 1.00 33.55 N ATOM 0 H ARG B 46 -5.335 0.588 -6.934 1.00 2.35 H new ATOM 0 HA ARG B 46 -3.862 0.560 -9.512 1.00 11.54 H new ATOM 0 HB2 ARG B 46 -3.924 2.519 -7.721 1.00 33.33 H new ATOM 0 HB3 ARG B 46 -2.746 1.507 -6.909 1.00 33.33 H new ATOM 0 HG2 ARG B 46 -2.514 2.644 -9.713 1.00 22.21 H new ATOM 0 HG3 ARG B 46 -1.663 3.208 -8.289 1.00 22.21 H new ATOM 0 HD2 ARG B 46 -0.316 1.199 -8.191 1.00 23.21 H new ATOM 0 HD3 ARG B 46 -1.299 0.402 -9.404 1.00 23.21 H new ATOM 0 HE ARG B 46 0.818 2.374 -9.857 1.00 63.41 H new ATOM 0 HH11 ARG B 46 -2.156 1.028 -11.254 1.00 52.25 H new ATOM 0 HH12 ARG B 46 -1.646 1.347 -12.915 1.00 52.25 H new ATOM 0 HH21 ARG B 46 1.443 2.768 -12.008 1.00 33.55 H new ATOM 0 HH22 ARG B 46 0.367 2.321 -13.336 1.00 33.55 H new ATOM 1304 N GLN B 47 -3.190 -1.092 -6.726 1.00 14.21 N ATOM 1305 CA GLN B 47 -2.579 -2.286 -6.203 1.00 34.24 C ATOM 1306 C GLN B 47 -3.291 -2.629 -4.909 1.00 11.31 C ATOM 1307 O GLN B 47 -3.848 -1.751 -4.241 1.00 71.53 O ATOM 1308 CB GLN B 47 -1.073 -2.055 -5.962 1.00 33.34 C ATOM 1309 CG GLN B 47 -0.259 -3.356 -6.063 1.00 75.22 C ATOM 1310 CD GLN B 47 -0.121 -3.828 -7.511 1.00 23.00 C ATOM 1311 OE1 GLN B 47 -0.970 -4.549 -8.034 1.00 42.10 O ATOM 1312 NE2 GLN B 47 0.956 -3.447 -8.175 1.00 43.22 N ATOM 0 H GLN B 47 -3.617 -0.501 -6.013 1.00 14.21 H new ATOM 0 HA GLN B 47 -2.669 -3.110 -6.911 1.00 34.24 H new ATOM 0 HB2 GLN B 47 -0.697 -1.336 -6.690 1.00 33.34 H new ATOM 0 HB3 GLN B 47 -0.929 -1.614 -4.976 1.00 33.34 H new ATOM 0 HG2 GLN B 47 0.731 -3.199 -5.636 1.00 75.22 H new ATOM 0 HG3 GLN B 47 -0.742 -4.134 -5.471 1.00 75.22 H new ATOM 0 HE21 GLN B 47 1.648 -2.849 -7.724 1.00 43.22 H new ATOM 0 HE22 GLN B 47 1.095 -3.751 -9.139 1.00 43.22 H new ATOM 1319 N ILE B 48 -3.244 -3.907 -4.560 1.00 63.44 N ATOM 1320 CA ILE B 48 -3.823 -4.465 -3.360 1.00 52.33 C ATOM 1321 C ILE B 48 -2.768 -5.415 -2.837 1.00 2.52 C ATOM 1322 O ILE B 48 -2.155 -6.147 -3.619 1.00 43.22 O ATOM 1323 CB ILE B 48 -5.138 -5.227 -3.617 1.00 50.50 C ATOM 1324 CG1 ILE B 48 -6.130 -4.366 -4.415 1.00 20.04 C ATOM 1325 CG2 ILE B 48 -5.737 -5.691 -2.267 1.00 65.43 C ATOM 1326 CD1 ILE B 48 -7.452 -5.094 -4.617 1.00 31.33 C ATOM 0 H ILE B 48 -2.779 -4.609 -5.136 1.00 63.44 H new ATOM 0 HA ILE B 48 -4.087 -3.673 -2.659 1.00 52.33 H new ATOM 0 HB ILE B 48 -4.929 -6.108 -4.224 1.00 50.50 H new ATOM 0 HG12 ILE B 48 -6.305 -3.427 -3.890 1.00 20.04 H new ATOM 0 HG13 ILE B 48 -5.699 -4.113 -5.384 1.00 20.04 H new ATOM 0 HG21 ILE B 48 -6.667 -6.230 -2.448 1.00 65.43 H new ATOM 0 HG22 ILE B 48 -5.029 -6.348 -1.762 1.00 65.43 H new ATOM 0 HG23 ILE B 48 -5.937 -4.822 -1.640 1.00 65.43 H new ATOM 0 HD11 ILE B 48 -8.133 -4.460 -5.185 1.00 31.33 H new ATOM 0 HD12 ILE B 48 -7.277 -6.020 -5.164 1.00 31.33 H new ATOM 0 HD13 ILE B 48 -7.893 -5.323 -3.647 1.00 31.33 H new ATOM 1337 N ARG B 49 -2.514 -5.378 -1.536 1.00 31.44 N ATOM 1338 CA ARG B 49 -1.552 -6.251 -0.885 1.00 40.13 C ATOM 1339 C ARG B 49 -2.259 -6.780 0.341 1.00 15.34 C ATOM 1340 O ARG B 49 -2.786 -5.987 1.123 1.00 73.44 O ATOM 1341 CB ARG B 49 -0.248 -5.524 -0.544 1.00 73.42 C ATOM 1342 CG ARG B 49 0.668 -5.355 -1.763 1.00 13.24 C ATOM 1343 CD ARG B 49 1.843 -4.431 -1.420 1.00 72.32 C ATOM 1344 NE ARG B 49 3.151 -5.110 -1.341 1.00 53.12 N ATOM 1345 CZ ARG B 49 4.013 -5.263 -2.355 1.00 62.11 C ATOM 1346 NH1 ARG B 49 3.685 -4.866 -3.579 1.00 71.10 N ATOM 1347 NH2 ARG B 49 5.198 -5.816 -2.139 1.00 40.44 N ATOM 0 H ARG B 49 -2.977 -4.732 -0.897 1.00 31.44 H new ATOM 0 HA ARG B 49 -1.240 -7.063 -1.541 1.00 40.13 H new ATOM 0 HB2 ARG B 49 -0.481 -4.543 -0.130 1.00 73.42 H new ATOM 0 HB3 ARG B 49 0.282 -6.079 0.230 1.00 73.42 H new ATOM 0 HG2 ARG B 49 1.042 -6.327 -2.083 1.00 13.24 H new ATOM 0 HG3 ARG B 49 0.102 -4.941 -2.597 1.00 13.24 H new ATOM 0 HD2 ARG B 49 1.901 -3.643 -2.171 1.00 72.32 H new ATOM 0 HD3 ARG B 49 1.641 -3.946 -0.465 1.00 72.32 H new ATOM 0 HE ARG B 49 3.422 -5.496 -0.437 1.00 53.12 H new ATOM 0 HH11 ARG B 49 2.773 -4.442 -3.751 1.00 71.10 H new ATOM 0 HH12 ARG B 49 4.345 -4.985 -4.348 1.00 71.10 H new ATOM 0 HH21 ARG B 49 5.453 -6.125 -1.201 1.00 40.44 H new ATOM 0 HH22 ARG B 49 5.855 -5.933 -2.911 1.00 40.44 H new ATOM 1358 N VAL B 50 -2.339 -8.095 0.469 1.00 2.11 N ATOM 1359 CA VAL B 50 -2.984 -8.780 1.577 1.00 60.41 C ATOM 1360 C VAL B 50 -1.892 -9.441 2.408 1.00 33.22 C ATOM 1361 O VAL B 50 -0.818 -9.766 1.890 1.00 5.03 O ATOM 1362 CB VAL B 50 -4.037 -9.778 1.049 1.00 54.33 C ATOM 1363 CG1 VAL B 50 -5.152 -9.034 0.298 1.00 73.23 C ATOM 1364 CG2 VAL B 50 -3.461 -10.864 0.121 1.00 53.33 C ATOM 0 H VAL B 50 -1.943 -8.736 -0.219 1.00 2.11 H new ATOM 0 HA VAL B 50 -3.530 -8.085 2.215 1.00 60.41 H new ATOM 0 HB VAL B 50 -4.427 -10.281 1.934 1.00 54.33 H new ATOM 0 HG11 VAL B 50 -5.886 -9.752 -0.068 1.00 73.23 H new ATOM 0 HG12 VAL B 50 -5.638 -8.330 0.973 1.00 73.23 H new ATOM 0 HG13 VAL B 50 -4.724 -8.492 -0.545 1.00 73.23 H new ATOM 0 HG21 VAL B 50 -4.263 -11.525 -0.207 1.00 53.33 H new ATOM 0 HG22 VAL B 50 -3.000 -10.393 -0.748 1.00 53.33 H new ATOM 0 HG23 VAL B 50 -2.711 -11.443 0.660 1.00 53.33 H new ATOM 1374 N GLY B 51 -2.135 -9.602 3.704 1.00 11.02 N ATOM 1375 CA GLY B 51 -1.165 -10.228 4.580 1.00 52.22 C ATOM 1376 C GLY B 51 -1.183 -11.736 4.400 1.00 60.44 C ATOM 1377 O GLY B 51 -2.244 -12.315 4.137 1.00 72.14 O ATOM 0 H GLY B 51 -2.995 -9.307 4.166 1.00 11.02 H new ATOM 0 HA2 GLY B 51 -0.169 -9.842 4.365 1.00 52.22 H new ATOM 0 HA3 GLY B 51 -1.387 -9.977 5.617 1.00 52.22 H new ATOM 1381 N ASN B 52 -0.022 -12.379 4.525 1.00 21.24 N ATOM 1382 CA ASN B 52 0.110 -13.828 4.391 1.00 51.41 C ATOM 1383 C ASN B 52 0.532 -14.466 5.705 1.00 60.12 C ATOM 1384 O ASN B 52 0.053 -15.565 6.007 1.00 52.22 O ATOM 1385 CB ASN B 52 1.075 -14.215 3.256 1.00 1.15 C ATOM 1386 CG ASN B 52 0.436 -14.533 1.908 1.00 23.30 C ATOM 1387 OD1 ASN B 52 1.116 -14.436 0.900 1.00 61.34 O ATOM 1388 ND2 ASN B 52 -0.809 -14.966 1.799 1.00 53.31 N ATOM 0 H ASN B 52 0.859 -11.905 4.723 1.00 21.24 H new ATOM 0 HA ASN B 52 -0.874 -14.216 4.127 1.00 51.41 H new ATOM 0 HB2 ASN B 52 1.783 -13.399 3.115 1.00 1.15 H new ATOM 0 HB3 ASN B 52 1.650 -15.084 3.576 1.00 1.15 H new ATOM 0 HD21 ASN B 52 -1.185 -15.212 0.883 1.00 53.31 H new ATOM 0 HD22 ASN B 52 -1.393 -15.054 2.631 1.00 53.31 H new ATOM 1394 N THR B 53 1.422 -13.829 6.459 1.00 15.11 N ATOM 1395 CA THR B 53 1.897 -14.342 7.737 1.00 52.30 C ATOM 1396 C THR B 53 0.756 -14.279 8.769 1.00 53.31 C ATOM 1397 O THR B 53 -0.194 -13.501 8.605 1.00 61.14 O ATOM 1398 CB THR B 53 3.127 -13.514 8.174 1.00 63.22 C ATOM 1399 OG1 THR B 53 2.770 -12.202 8.547 1.00 62.42 O ATOM 1400 CG2 THR B 53 4.189 -13.399 7.076 1.00 65.42 C ATOM 0 H THR B 53 1.837 -12.935 6.197 1.00 15.11 H new ATOM 0 HA THR B 53 2.202 -15.385 7.652 1.00 52.30 H new ATOM 0 HB THR B 53 3.539 -14.058 9.024 1.00 63.22 H new ATOM 0 HG1 THR B 53 2.052 -11.880 7.963 1.00 62.42 H new ATOM 0 HG21 THR B 53 5.028 -12.807 7.442 1.00 65.42 H new ATOM 0 HG22 THR B 53 4.539 -14.394 6.803 1.00 65.42 H new ATOM 0 HG23 THR B 53 3.757 -12.914 6.201 1.00 65.42 H new ATOM 1408 N PRO B 54 0.846 -15.027 9.880 1.00 34.24 N ATOM 1409 CA PRO B 54 -0.178 -15.000 10.919 1.00 70.01 C ATOM 1410 C PRO B 54 -0.235 -13.645 11.646 1.00 22.44 C ATOM 1411 O PRO B 54 -1.102 -13.459 12.496 1.00 3.35 O ATOM 1412 CB PRO B 54 0.176 -16.146 11.867 1.00 4.33 C ATOM 1413 CG PRO B 54 1.681 -16.328 11.673 1.00 15.34 C ATOM 1414 CD PRO B 54 1.888 -15.988 10.206 1.00 25.14 C ATOM 0 HA PRO B 54 -1.175 -15.125 10.496 1.00 70.01 H new ATOM 0 HB2 PRO B 54 -0.067 -15.900 12.901 1.00 4.33 H new ATOM 0 HB3 PRO B 54 -0.372 -17.055 11.618 1.00 4.33 H new ATOM 0 HG2 PRO B 54 2.253 -15.667 12.324 1.00 15.34 H new ATOM 0 HG3 PRO B 54 1.995 -17.347 11.898 1.00 15.34 H new ATOM 0 HD2 PRO B 54 2.878 -15.566 10.037 1.00 25.14 H new ATOM 0 HD3 PRO B 54 1.810 -16.878 9.582 1.00 25.14 H new ATOM 1419 N GLU B 55 0.648 -12.702 11.307 1.00 2.32 N ATOM 1420 CA GLU B 55 0.756 -11.369 11.884 1.00 54.20 C ATOM 1421 C GLU B 55 0.223 -10.287 10.930 1.00 30.34 C ATOM 1422 O GLU B 55 0.074 -9.125 11.321 1.00 55.33 O ATOM 1423 CB GLU B 55 2.234 -11.090 12.200 1.00 61.04 C ATOM 1424 CG GLU B 55 2.917 -12.251 12.938 1.00 52.01 C ATOM 1425 CD GLU B 55 4.291 -11.835 13.440 1.00 62.21 C ATOM 1426 OE1 GLU B 55 5.248 -11.944 12.636 1.00 70.11 O ATOM 1427 OE2 GLU B 55 4.371 -11.387 14.604 1.00 13.01 O ATOM 0 H GLU B 55 1.345 -12.863 10.580 1.00 2.32 H new ATOM 0 HA GLU B 55 0.151 -11.335 12.790 1.00 54.20 H new ATOM 0 HB2 GLU B 55 2.768 -10.893 11.270 1.00 61.04 H new ATOM 0 HB3 GLU B 55 2.306 -10.188 12.807 1.00 61.04 H new ATOM 0 HG2 GLU B 55 2.299 -12.569 13.777 1.00 52.01 H new ATOM 0 HG3 GLU B 55 3.012 -13.107 12.270 1.00 52.01 H new ATOM 1432 N THR B 56 -0.062 -10.658 9.683 1.00 63.04 N ATOM 1433 CA THR B 56 -0.571 -9.770 8.645 1.00 2.03 C ATOM 1434 C THR B 56 -1.979 -10.205 8.198 1.00 41.44 C ATOM 1435 O THR B 56 -2.686 -9.460 7.518 1.00 71.44 O ATOM 1436 CB THR B 56 0.480 -9.683 7.527 1.00 62.52 C ATOM 1437 OG1 THR B 56 0.772 -10.977 7.051 1.00 12.13 O ATOM 1438 CG2 THR B 56 1.802 -9.062 7.992 1.00 63.32 C ATOM 0 H THR B 56 0.060 -11.617 9.359 1.00 63.04 H new ATOM 0 HA THR B 56 -0.715 -8.755 9.016 1.00 2.03 H new ATOM 0 HB THR B 56 0.049 -9.047 6.753 1.00 62.52 H new ATOM 0 HG1 THR B 56 1.441 -10.920 6.337 1.00 12.13 H new ATOM 0 HG21 THR B 56 2.502 -9.029 7.157 1.00 63.32 H new ATOM 0 HG22 THR B 56 1.621 -8.050 8.354 1.00 63.32 H new ATOM 0 HG23 THR B 56 2.224 -9.665 8.796 1.00 63.32 H new ATOM 1446 N ARG B 57 -2.432 -11.402 8.590 1.00 34.03 N ATOM 1447 CA ARG B 57 -3.764 -11.902 8.250 1.00 41.32 C ATOM 1448 C ARG B 57 -4.802 -10.902 8.771 1.00 64.53 C ATOM 1449 O ARG B 57 -4.639 -10.359 9.864 1.00 42.32 O ATOM 1450 CB ARG B 57 -3.967 -13.316 8.836 1.00 23.43 C ATOM 1451 CG ARG B 57 -3.811 -13.400 10.373 1.00 62.11 C ATOM 1452 CD ARG B 57 -4.069 -14.807 10.934 1.00 11.53 C ATOM 1453 NE ARG B 57 -5.501 -15.149 10.879 1.00 21.21 N ATOM 1454 CZ ARG B 57 -6.022 -16.360 10.662 1.00 4.13 C ATOM 1455 NH1 ARG B 57 -5.264 -17.446 10.716 1.00 55.32 N ATOM 1456 NH2 ARG B 57 -7.313 -16.474 10.372 1.00 61.25 N ATOM 0 H ARG B 57 -1.882 -12.050 9.153 1.00 34.03 H new ATOM 0 HA ARG B 57 -3.880 -11.991 7.170 1.00 41.32 H new ATOM 0 HB2 ARG B 57 -4.962 -13.669 8.564 1.00 23.43 H new ATOM 0 HB3 ARG B 57 -3.250 -13.994 8.373 1.00 23.43 H new ATOM 0 HG2 ARG B 57 -2.804 -13.086 10.647 1.00 62.11 H new ATOM 0 HG3 ARG B 57 -4.501 -12.698 10.840 1.00 62.11 H new ATOM 0 HD2 ARG B 57 -3.496 -15.539 10.365 1.00 11.53 H new ATOM 0 HD3 ARG B 57 -3.719 -14.860 11.965 1.00 11.53 H new ATOM 0 HE ARG B 57 -6.161 -14.384 11.021 1.00 21.21 H new ATOM 0 HH11 ARG B 57 -4.269 -17.364 10.925 1.00 55.32 H new ATOM 0 HH12 ARG B 57 -5.676 -18.364 10.548 1.00 55.32 H new ATOM 0 HH21 ARG B 57 -7.899 -15.641 10.316 1.00 61.25 H new ATOM 0 HH22 ARG B 57 -7.719 -17.395 10.205 1.00 61.25 H new ATOM 1467 N GLY B 58 -5.883 -10.666 8.032 1.00 24.42 N ATOM 1468 CA GLY B 58 -6.945 -9.748 8.433 1.00 42.43 C ATOM 1469 C GLY B 58 -6.702 -8.288 8.053 1.00 33.15 C ATOM 1470 O GLY B 58 -7.608 -7.468 8.239 1.00 52.14 O ATOM 0 H GLY B 58 -6.048 -11.111 7.129 1.00 24.42 H new ATOM 0 HA2 GLY B 58 -7.881 -10.076 7.981 1.00 42.43 H new ATOM 0 HA3 GLY B 58 -7.073 -9.812 9.514 1.00 42.43 H new ATOM 1474 N THR B 59 -5.534 -7.938 7.509 1.00 52.40 N ATOM 1475 CA THR B 59 -5.225 -6.572 7.110 1.00 71.04 C ATOM 1476 C THR B 59 -4.818 -6.560 5.636 1.00 45.32 C ATOM 1477 O THR B 59 -4.441 -7.596 5.065 1.00 54.11 O ATOM 1478 CB THR B 59 -4.201 -5.953 8.089 1.00 10.13 C ATOM 1479 OG1 THR B 59 -3.045 -6.734 8.275 1.00 5.40 O ATOM 1480 CG2 THR B 59 -4.792 -5.886 9.497 1.00 13.35 C ATOM 0 H THR B 59 -4.777 -8.599 7.334 1.00 52.40 H new ATOM 0 HA THR B 59 -6.100 -5.925 7.179 1.00 71.04 H new ATOM 0 HB THR B 59 -3.960 -4.988 7.644 1.00 10.13 H new ATOM 0 HG1 THR B 59 -3.157 -7.597 7.824 1.00 5.40 H new ATOM 0 HG21 THR B 59 -4.062 -5.448 10.178 1.00 13.35 H new ATOM 0 HG22 THR B 59 -5.691 -5.270 9.485 1.00 13.35 H new ATOM 0 HG23 THR B 59 -5.045 -6.891 9.834 1.00 13.35 H new ATOM 1488 N ALA B 60 -5.019 -5.423 4.970 1.00 2.22 N ATOM 1489 CA ALA B 60 -4.668 -5.240 3.574 1.00 15.53 C ATOM 1490 C ALA B 60 -4.405 -3.762 3.304 1.00 72.54 C ATOM 1491 O ALA B 60 -4.734 -2.884 4.107 1.00 32.32 O ATOM 1492 CB ALA B 60 -5.785 -5.743 2.650 1.00 32.53 C ATOM 0 H ALA B 60 -5.436 -4.596 5.397 1.00 2.22 H new ATOM 0 HA ALA B 60 -3.769 -5.821 3.368 1.00 15.53 H new ATOM 0 HB1 ALA B 60 -5.493 -5.592 1.611 1.00 32.53 H new ATOM 0 HB2 ALA B 60 -5.955 -6.805 2.829 1.00 32.53 H new ATOM 0 HB3 ALA B 60 -6.702 -5.190 2.853 1.00 32.53 H new ATOM 1498 N TYR B 61 -3.805 -3.486 2.157 1.00 32.54 N ATOM 1499 CA TYR B 61 -3.483 -2.157 1.684 1.00 72.35 C ATOM 1500 C TYR B 61 -4.149 -2.037 0.322 1.00 1.41 C ATOM 1501 O TYR B 61 -4.171 -3.011 -0.435 1.00 54.30 O ATOM 1502 CB TYR B 61 -1.968 -1.962 1.579 1.00 21.32 C ATOM 1503 CG TYR B 61 -1.220 -1.955 2.901 1.00 2.40 C ATOM 1504 CD1 TYR B 61 -1.242 -0.803 3.711 1.00 11.25 C ATOM 1505 CD2 TYR B 61 -0.461 -3.074 3.302 1.00 14.13 C ATOM 1506 CE1 TYR B 61 -0.516 -0.767 4.914 1.00 32.12 C ATOM 1507 CE2 TYR B 61 0.264 -3.045 4.509 1.00 33.43 C ATOM 1508 CZ TYR B 61 0.231 -1.892 5.326 1.00 41.31 C ATOM 1509 OH TYR B 61 0.881 -1.856 6.518 1.00 21.30 O ATOM 0 H TYR B 61 -3.519 -4.216 1.505 1.00 32.54 H new ATOM 0 HA TYR B 61 -3.838 -1.389 2.371 1.00 72.35 H new ATOM 0 HB2 TYR B 61 -1.559 -2.755 0.953 1.00 21.32 H new ATOM 0 HB3 TYR B 61 -1.774 -1.020 1.066 1.00 21.32 H new ATOM 0 HD1 TYR B 61 -1.820 0.057 3.406 1.00 11.25 H new ATOM 0 HD2 TYR B 61 -0.436 -3.957 2.681 1.00 14.13 H new ATOM 0 HE1 TYR B 61 -0.530 0.124 5.525 1.00 32.12 H new ATOM 0 HE2 TYR B 61 0.845 -3.904 4.810 1.00 33.43 H new ATOM 0 HH TYR B 61 1.145 -2.764 6.774 1.00 21.30 H new ATOM 1518 N VAL B 62 -4.687 -0.861 0.016 1.00 13.34 N ATOM 1519 CA VAL B 62 -5.378 -0.541 -1.229 1.00 11.40 C ATOM 1520 C VAL B 62 -4.795 0.798 -1.691 1.00 25.22 C ATOM 1521 O VAL B 62 -4.464 1.642 -0.856 1.00 21.32 O ATOM 1522 CB VAL B 62 -6.897 -0.445 -0.950 1.00 74.21 C ATOM 1523 CG1 VAL B 62 -7.693 -0.037 -2.201 1.00 74.44 C ATOM 1524 CG2 VAL B 62 -7.431 -1.786 -0.417 1.00 23.33 C ATOM 0 H VAL B 62 -4.652 -0.069 0.658 1.00 13.34 H new ATOM 0 HA VAL B 62 -5.243 -1.298 -2.002 1.00 11.40 H new ATOM 0 HB VAL B 62 -7.033 0.332 -0.198 1.00 74.21 H new ATOM 0 HG11 VAL B 62 -8.754 0.017 -1.956 1.00 74.44 H new ATOM 0 HG12 VAL B 62 -7.351 0.938 -2.548 1.00 74.44 H new ATOM 0 HG13 VAL B 62 -7.540 -0.776 -2.987 1.00 74.44 H new ATOM 0 HG21 VAL B 62 -8.501 -1.701 -0.226 1.00 23.33 H new ATOM 0 HG22 VAL B 62 -7.255 -2.567 -1.156 1.00 23.33 H new ATOM 0 HG23 VAL B 62 -6.916 -2.040 0.509 1.00 23.33 H new ATOM 1534 N VAL B 63 -4.608 0.990 -2.993 1.00 4.23 N ATOM 1535 CA VAL B 63 -4.084 2.227 -3.561 1.00 2.13 C ATOM 1536 C VAL B 63 -5.075 2.652 -4.648 1.00 52.45 C ATOM 1537 O VAL B 63 -5.504 1.791 -5.423 1.00 60.13 O ATOM 1538 CB VAL B 63 -2.637 2.015 -4.054 1.00 63.31 C ATOM 1539 CG1 VAL B 63 -2.028 3.324 -4.580 1.00 74.42 C ATOM 1540 CG2 VAL B 63 -1.718 1.458 -2.956 1.00 42.22 C ATOM 0 H VAL B 63 -4.820 0.280 -3.694 1.00 4.23 H new ATOM 0 HA VAL B 63 -4.005 3.033 -2.832 1.00 2.13 H new ATOM 0 HB VAL B 63 -2.703 1.285 -4.860 1.00 63.31 H new ATOM 0 HG11 VAL B 63 -1.009 3.140 -4.919 1.00 74.42 H new ATOM 0 HG12 VAL B 63 -2.626 3.695 -5.412 1.00 74.42 H new ATOM 0 HG13 VAL B 63 -2.016 4.066 -3.782 1.00 74.42 H new ATOM 0 HG21 VAL B 63 -0.712 1.327 -3.355 1.00 42.22 H new ATOM 0 HG22 VAL B 63 -1.688 2.155 -2.118 1.00 42.22 H new ATOM 0 HG23 VAL B 63 -2.101 0.496 -2.615 1.00 42.22 H new ATOM 1550 N TYR B 64 -5.448 3.936 -4.682 1.00 44.21 N ATOM 1551 CA TYR B 64 -6.389 4.533 -5.636 1.00 63.31 C ATOM 1552 C TYR B 64 -5.651 5.230 -6.795 1.00 21.13 C ATOM 1553 O TYR B 64 -4.422 5.378 -6.766 1.00 64.42 O ATOM 1554 CB TYR B 64 -7.377 5.459 -4.911 1.00 42.04 C ATOM 1555 CG TYR B 64 -8.643 4.754 -4.468 1.00 21.53 C ATOM 1556 CD1 TYR B 64 -9.737 4.645 -5.348 1.00 23.32 C ATOM 1557 CD2 TYR B 64 -8.710 4.148 -3.202 1.00 30.54 C ATOM 1558 CE1 TYR B 64 -10.865 3.887 -4.989 1.00 64.30 C ATOM 1559 CE2 TYR B 64 -9.844 3.403 -2.829 1.00 61.44 C ATOM 1560 CZ TYR B 64 -10.918 3.236 -3.739 1.00 43.21 C ATOM 1561 OH TYR B 64 -11.941 2.376 -3.465 1.00 51.31 O ATOM 0 H TYR B 64 -5.086 4.618 -4.015 1.00 44.21 H new ATOM 0 HA TYR B 64 -6.976 3.735 -6.091 1.00 63.31 H new ATOM 0 HB2 TYR B 64 -6.886 5.892 -4.039 1.00 42.04 H new ATOM 0 HB3 TYR B 64 -7.641 6.285 -5.571 1.00 42.04 H new ATOM 0 HD1 TYR B 64 -9.709 5.147 -6.304 1.00 23.32 H new ATOM 0 HD2 TYR B 64 -7.887 4.255 -2.511 1.00 30.54 H new ATOM 0 HE1 TYR B 64 -11.696 3.803 -5.674 1.00 64.30 H new ATOM 0 HE2 TYR B 64 -9.896 2.957 -1.847 1.00 61.44 H new ATOM 0 HH TYR B 64 -12.269 1.982 -4.300 1.00 51.31 H new ATOM 1570 N GLU B 65 -6.374 5.582 -7.874 1.00 23.31 N ATOM 1571 CA GLU B 65 -5.772 6.235 -9.032 1.00 51.21 C ATOM 1572 C GLU B 65 -5.776 7.718 -8.752 1.00 14.10 C ATOM 1573 O GLU B 65 -4.743 8.285 -8.390 1.00 24.45 O ATOM 1574 CB GLU B 65 -6.495 5.946 -10.364 1.00 12.10 C ATOM 1575 CG GLU B 65 -6.428 4.483 -10.794 1.00 43.22 C ATOM 1576 CD GLU B 65 -6.676 4.213 -12.279 1.00 75.31 C ATOM 1577 OE1 GLU B 65 -7.432 4.974 -12.925 1.00 63.42 O ATOM 1578 OE2 GLU B 65 -6.145 3.188 -12.761 1.00 12.22 O ATOM 0 H GLU B 65 -7.378 5.421 -7.960 1.00 23.31 H new ATOM 0 HA GLU B 65 -4.765 5.839 -9.164 1.00 51.21 H new ATOM 0 HB2 GLU B 65 -7.540 6.241 -10.271 1.00 12.10 H new ATOM 0 HB3 GLU B 65 -6.057 6.566 -11.147 1.00 12.10 H new ATOM 0 HG2 GLU B 65 -5.445 4.092 -10.532 1.00 43.22 H new ATOM 0 HG3 GLU B 65 -7.160 3.920 -10.215 1.00 43.22 H new ATOM 1583 N ASP B 66 -6.954 8.331 -8.831 1.00 13.12 N ATOM 1584 CA ASP B 66 -7.074 9.745 -8.595 1.00 14.41 C ATOM 1585 C ASP B 66 -7.136 10.001 -7.103 1.00 60.22 C ATOM 1586 O ASP B 66 -7.770 9.270 -6.338 1.00 54.13 O ATOM 1587 CB ASP B 66 -8.303 10.338 -9.286 1.00 33.42 C ATOM 1588 CG ASP B 66 -8.059 11.810 -9.583 1.00 14.43 C ATOM 1589 OD1 ASP B 66 -7.505 12.520 -8.710 1.00 71.41 O ATOM 1590 OD2 ASP B 66 -8.300 12.227 -10.736 1.00 1.23 O ATOM 0 H ASP B 66 -7.831 7.861 -9.057 1.00 13.12 H new ATOM 0 HA ASP B 66 -6.198 10.236 -9.020 1.00 14.41 H new ATOM 0 HB2 ASP B 66 -8.509 9.799 -10.211 1.00 33.42 H new ATOM 0 HB3 ASP B 66 -9.181 10.225 -8.650 1.00 33.42 H new ATOM 1594 N ILE B 67 -6.381 10.991 -6.669 1.00 12.50 N ATOM 1595 CA ILE B 67 -6.312 11.452 -5.299 1.00 11.33 C ATOM 1596 C ILE B 67 -7.719 11.883 -4.860 1.00 25.54 C ATOM 1597 O ILE B 67 -8.095 11.666 -3.706 1.00 24.32 O ATOM 1598 CB ILE B 67 -5.186 12.512 -5.207 1.00 22.23 C ATOM 1599 CG1 ILE B 67 -5.341 13.446 -3.995 1.00 22.34 C ATOM 1600 CG2 ILE B 67 -5.012 13.358 -6.495 1.00 62.21 C ATOM 1601 CD1 ILE B 67 -4.028 14.137 -3.604 1.00 4.45 C ATOM 0 H ILE B 67 -5.771 11.520 -7.292 1.00 12.50 H new ATOM 0 HA ILE B 67 -6.029 10.681 -4.582 1.00 11.33 H new ATOM 0 HB ILE B 67 -4.281 11.919 -5.078 1.00 22.23 H new ATOM 0 HG12 ILE B 67 -6.092 14.204 -4.220 1.00 22.34 H new ATOM 0 HG13 ILE B 67 -5.711 12.872 -3.145 1.00 22.34 H new ATOM 0 HG21 ILE B 67 -4.205 14.077 -6.352 1.00 62.21 H new ATOM 0 HG22 ILE B 67 -4.769 12.702 -7.331 1.00 62.21 H new ATOM 0 HG23 ILE B 67 -5.939 13.890 -6.709 1.00 62.21 H new ATOM 0 HD11 ILE B 67 -4.199 14.783 -2.743 1.00 4.45 H new ATOM 0 HD12 ILE B 67 -3.282 13.384 -3.350 1.00 4.45 H new ATOM 0 HD13 ILE B 67 -3.669 14.736 -4.441 1.00 4.45 H new ATOM 1612 N PHE B 68 -8.509 12.437 -5.787 1.00 31.03 N ATOM 1613 CA PHE B 68 -9.869 12.873 -5.515 1.00 62.24 C ATOM 1614 C PHE B 68 -10.797 11.667 -5.293 1.00 72.41 C ATOM 1615 O PHE B 68 -11.764 11.786 -4.535 1.00 50.51 O ATOM 1616 CB PHE B 68 -10.352 13.766 -6.668 1.00 31.51 C ATOM 1617 CG PHE B 68 -9.442 14.948 -6.984 1.00 55.30 C ATOM 1618 CD1 PHE B 68 -9.081 15.869 -5.979 1.00 64.41 C ATOM 1619 CD2 PHE B 68 -8.955 15.139 -8.291 1.00 4.22 C ATOM 1620 CE1 PHE B 68 -8.261 16.970 -6.285 1.00 41.22 C ATOM 1621 CE2 PHE B 68 -8.128 16.233 -8.595 1.00 14.42 C ATOM 1622 CZ PHE B 68 -7.789 17.159 -7.595 1.00 22.40 C ATOM 0 H PHE B 68 -8.214 12.593 -6.751 1.00 31.03 H new ATOM 0 HA PHE B 68 -9.889 13.456 -4.595 1.00 62.24 H new ATOM 0 HB2 PHE B 68 -10.455 13.154 -7.564 1.00 31.51 H new ATOM 0 HB3 PHE B 68 -11.345 14.144 -6.425 1.00 31.51 H new ATOM 0 HD1 PHE B 68 -9.436 15.728 -4.969 1.00 64.41 H new ATOM 0 HD2 PHE B 68 -9.220 14.437 -9.068 1.00 4.22 H new ATOM 0 HE1 PHE B 68 -7.993 17.673 -5.510 1.00 41.22 H new ATOM 0 HE2 PHE B 68 -7.752 16.362 -9.599 1.00 14.42 H new ATOM 0 HZ PHE B 68 -7.169 18.011 -7.831 1.00 22.40 H new ATOM 1631 N ASP B 69 -10.520 10.516 -5.924 1.00 71.25 N ATOM 1632 CA ASP B 69 -11.327 9.299 -5.775 1.00 42.33 C ATOM 1633 C ASP B 69 -11.091 8.729 -4.381 1.00 70.31 C ATOM 1634 O ASP B 69 -12.041 8.407 -3.668 1.00 60.43 O ATOM 1635 CB ASP B 69 -10.958 8.192 -6.793 1.00 73.21 C ATOM 1636 CG ASP B 69 -11.517 8.394 -8.198 1.00 4.22 C ATOM 1637 OD1 ASP B 69 -12.724 8.686 -8.318 1.00 44.54 O ATOM 1638 OD2 ASP B 69 -10.757 8.220 -9.179 1.00 55.40 O ATOM 0 H ASP B 69 -9.726 10.404 -6.554 1.00 71.25 H new ATOM 0 HA ASP B 69 -12.365 9.585 -5.946 1.00 42.33 H new ATOM 0 HB2 ASP B 69 -9.872 8.126 -6.857 1.00 73.21 H new ATOM 0 HB3 ASP B 69 -11.314 7.235 -6.411 1.00 73.21 H new ATOM 1642 N ALA B 70 -9.816 8.631 -3.983 1.00 43.54 N ATOM 1643 CA ALA B 70 -9.410 8.094 -2.691 1.00 2.33 C ATOM 1644 C ALA B 70 -10.084 8.825 -1.532 1.00 75.32 C ATOM 1645 O ALA B 70 -10.496 8.177 -0.566 1.00 3.24 O ATOM 1646 CB ALA B 70 -7.888 8.163 -2.536 1.00 23.31 C ATOM 0 H ALA B 70 -9.031 8.929 -4.563 1.00 43.54 H new ATOM 0 HA ALA B 70 -9.730 7.052 -2.660 1.00 2.33 H new ATOM 0 HB1 ALA B 70 -7.602 7.758 -1.565 1.00 23.31 H new ATOM 0 HB2 ALA B 70 -7.415 7.580 -3.326 1.00 23.31 H new ATOM 0 HB3 ALA B 70 -7.562 9.201 -2.606 1.00 23.31 H new ATOM 1652 N LYS B 71 -10.156 10.159 -1.607 1.00 54.41 N ATOM 1653 CA LYS B 71 -10.777 11.011 -0.593 1.00 44.40 C ATOM 1654 C LYS B 71 -12.231 10.588 -0.393 1.00 53.33 C ATOM 1655 O LYS B 71 -12.610 10.142 0.690 1.00 43.34 O ATOM 1656 CB LYS B 71 -10.683 12.488 -1.027 1.00 12.21 C ATOM 1657 CG LYS B 71 -9.319 13.154 -0.817 1.00 12.51 C ATOM 1658 CD LYS B 71 -9.118 13.600 0.635 1.00 32.04 C ATOM 1659 CE LYS B 71 -9.877 14.856 1.067 1.00 35.23 C ATOM 1660 NZ LYS B 71 -9.306 16.083 0.480 1.00 70.33 N ATOM 0 H LYS B 71 -9.775 10.685 -2.393 1.00 54.41 H new ATOM 0 HA LYS B 71 -10.252 10.900 0.356 1.00 44.40 H new ATOM 0 HB2 LYS B 71 -10.941 12.555 -2.084 1.00 12.21 H new ATOM 0 HB3 LYS B 71 -11.434 13.058 -0.479 1.00 12.21 H new ATOM 0 HG2 LYS B 71 -8.528 12.457 -1.095 1.00 12.51 H new ATOM 0 HG3 LYS B 71 -9.231 14.017 -1.477 1.00 12.51 H new ATOM 0 HD2 LYS B 71 -9.413 12.780 1.289 1.00 32.04 H new ATOM 0 HD3 LYS B 71 -8.054 13.770 0.797 1.00 32.04 H new ATOM 0 HE2 LYS B 71 -10.922 14.766 0.771 1.00 35.23 H new ATOM 0 HE3 LYS B 71 -9.859 14.933 2.154 1.00 35.23 H new ATOM 0 HZ1 LYS B 71 -9.852 16.908 0.800 1.00 70.33 H new ATOM 0 HZ2 LYS B 71 -8.316 16.184 0.783 1.00 70.33 H new ATOM 0 HZ3 LYS B 71 -9.346 16.023 -0.557 1.00 70.33 H new ATOM 1670 N ASN B 72 -13.028 10.699 -1.460 1.00 14.33 N ATOM 1671 CA ASN B 72 -14.447 10.364 -1.450 1.00 0.02 C ATOM 1672 C ASN B 72 -14.693 8.956 -0.919 1.00 35.03 C ATOM 1673 O ASN B 72 -15.459 8.785 0.037 1.00 62.12 O ATOM 1674 CB ASN B 72 -15.067 10.532 -2.846 1.00 34.23 C ATOM 1675 CG ASN B 72 -15.324 11.993 -3.158 1.00 13.30 C ATOM 1676 OD1 ASN B 72 -16.341 12.554 -2.761 1.00 53.31 O ATOM 1677 ND2 ASN B 72 -14.394 12.654 -3.820 1.00 51.13 N ATOM 0 H ASN B 72 -12.696 11.029 -2.366 1.00 14.33 H new ATOM 0 HA ASN B 72 -14.936 11.063 -0.771 1.00 0.02 H new ATOM 0 HB2 ASN B 72 -14.400 10.109 -3.597 1.00 34.23 H new ATOM 0 HB3 ASN B 72 -16.003 9.975 -2.901 1.00 34.23 H new ATOM 0 HD21 ASN B 72 -14.513 13.649 -4.010 1.00 51.13 H new ATOM 0 HD22 ASN B 72 -13.556 12.170 -4.142 1.00 51.13 H new ATOM 1683 N ALA B 73 -14.019 7.957 -1.488 1.00 42.40 N ATOM 1684 CA ALA B 73 -14.202 6.578 -1.071 1.00 12.11 C ATOM 1685 C ALA B 73 -13.853 6.309 0.389 1.00 33.12 C ATOM 1686 O ALA B 73 -14.515 5.490 1.015 1.00 71.33 O ATOM 1687 CB ALA B 73 -13.349 5.651 -1.931 1.00 54.43 C ATOM 0 H ALA B 73 -13.341 8.083 -2.240 1.00 42.40 H new ATOM 0 HA ALA B 73 -15.268 6.385 -1.195 1.00 12.11 H new ATOM 0 HB1 ALA B 73 -13.494 4.620 -1.609 1.00 54.43 H new ATOM 0 HB2 ALA B 73 -13.644 5.750 -2.976 1.00 54.43 H new ATOM 0 HB3 ALA B 73 -12.298 5.920 -1.824 1.00 54.43 H new ATOM 1693 N CYS B 74 -12.794 6.929 0.914 1.00 32.44 N ATOM 1694 CA CYS B 74 -12.360 6.726 2.290 1.00 4.52 C ATOM 1695 C CYS B 74 -13.472 7.080 3.261 1.00 32.04 C ATOM 1696 O CYS B 74 -13.785 6.300 4.162 1.00 25.20 O ATOM 1697 CB CYS B 74 -11.107 7.575 2.520 1.00 11.42 C ATOM 1698 SG CYS B 74 -10.527 7.556 4.232 1.00 62.12 S ATOM 0 H CYS B 74 -12.215 7.587 0.392 1.00 32.44 H new ATOM 0 HA CYS B 74 -12.120 5.677 2.465 1.00 4.52 H new ATOM 0 HB2 CYS B 74 -10.309 7.214 1.871 1.00 11.42 H new ATOM 0 HB3 CYS B 74 -11.316 8.604 2.227 1.00 11.42 H new ATOM 0 HG CYS B 74 -9.848 8.638 4.472 1.00 62.12 H new ATOM 1703 N ASP B 75 -14.062 8.258 3.081 1.00 32.04 N ATOM 1704 CA ASP B 75 -15.131 8.703 3.955 1.00 12.32 C ATOM 1705 C ASP B 75 -16.315 7.764 3.837 1.00 2.02 C ATOM 1706 O ASP B 75 -16.758 7.199 4.835 1.00 73.24 O ATOM 1707 CB ASP B 75 -15.544 10.150 3.607 1.00 64.43 C ATOM 1708 CG ASP B 75 -14.601 11.178 4.212 1.00 21.20 C ATOM 1709 OD1 ASP B 75 -14.366 11.117 5.443 1.00 14.21 O ATOM 1710 OD2 ASP B 75 -14.111 12.054 3.461 1.00 63.11 O ATOM 0 H ASP B 75 -13.816 8.915 2.341 1.00 32.04 H new ATOM 0 HA ASP B 75 -14.776 8.691 4.986 1.00 12.32 H new ATOM 0 HB2 ASP B 75 -15.563 10.270 2.524 1.00 64.43 H new ATOM 0 HB3 ASP B 75 -16.557 10.333 3.966 1.00 64.43 H new ATOM 1714 N HIS B 76 -16.774 7.529 2.606 1.00 74.34 N ATOM 1715 CA HIS B 76 -17.913 6.667 2.353 1.00 22.12 C ATOM 1716 C HIS B 76 -17.711 5.237 2.884 1.00 2.44 C ATOM 1717 O HIS B 76 -18.701 4.579 3.219 1.00 33.14 O ATOM 1718 CB HIS B 76 -18.214 6.713 0.850 1.00 63.20 C ATOM 1719 CG HIS B 76 -19.618 6.319 0.470 1.00 3.31 C ATOM 1720 ND1 HIS B 76 -19.985 5.752 -0.728 1.00 13.42 N ATOM 1721 CD2 HIS B 76 -20.763 6.572 1.176 1.00 74.14 C ATOM 1722 CE1 HIS B 76 -21.320 5.641 -0.743 1.00 0.54 C ATOM 1723 NE2 HIS B 76 -21.836 6.124 0.399 1.00 11.23 N ATOM 0 H HIS B 76 -16.363 7.933 1.764 1.00 74.34 H new ATOM 0 HA HIS B 76 -18.778 7.033 2.906 1.00 22.12 H new ATOM 0 HB2 HIS B 76 -18.026 7.724 0.488 1.00 63.20 H new ATOM 0 HB3 HIS B 76 -17.515 6.054 0.334 1.00 63.20 H new ATOM 0 HD2 HIS B 76 -20.826 7.032 2.151 1.00 74.14 H new ATOM 0 HE1 HIS B 76 -21.897 5.224 -1.555 1.00 0.54 H new ATOM 0 HE2 HIS B 76 -22.824 6.158 0.652 1.00 11.23 H new ATOM 1730 N LEU B 77 -16.463 4.758 3.007 1.00 32.02 N ATOM 1731 CA LEU B 77 -16.176 3.403 3.497 1.00 74.04 C ATOM 1732 C LEU B 77 -15.836 3.354 4.996 1.00 41.15 C ATOM 1733 O LEU B 77 -15.675 2.267 5.548 1.00 23.31 O ATOM 1734 CB LEU B 77 -15.044 2.782 2.650 1.00 4.12 C ATOM 1735 CG LEU B 77 -14.944 1.240 2.719 1.00 12.11 C ATOM 1736 CD1 LEU B 77 -16.113 0.527 2.034 1.00 61.30 C ATOM 1737 CD2 LEU B 77 -13.676 0.805 1.990 1.00 24.44 C ATOM 0 H LEU B 77 -15.630 5.297 2.771 1.00 32.02 H new ATOM 0 HA LEU B 77 -17.088 2.816 3.386 1.00 74.04 H new ATOM 0 HB2 LEU B 77 -15.187 3.075 1.610 1.00 4.12 H new ATOM 0 HB3 LEU B 77 -14.094 3.207 2.974 1.00 4.12 H new ATOM 0 HG LEU B 77 -14.947 0.972 3.775 1.00 12.11 H new ATOM 0 HD11 LEU B 77 -15.981 -0.552 2.119 1.00 61.30 H new ATOM 0 HD12 LEU B 77 -17.048 0.817 2.514 1.00 61.30 H new ATOM 0 HD13 LEU B 77 -16.143 0.807 0.981 1.00 61.30 H new ATOM 0 HD21 LEU B 77 -13.589 -0.281 2.028 1.00 24.44 H new ATOM 0 HD22 LEU B 77 -13.725 1.129 0.950 1.00 24.44 H new ATOM 0 HD23 LEU B 77 -12.807 1.256 2.470 1.00 24.44 H new ATOM 1748 N SER B 78 -15.691 4.488 5.686 1.00 73.31 N ATOM 1749 CA SER B 78 -15.363 4.486 7.107 1.00 61.04 C ATOM 1750 C SER B 78 -16.475 3.800 7.899 1.00 30.13 C ATOM 1751 O SER B 78 -17.640 4.194 7.804 1.00 42.11 O ATOM 1752 CB SER B 78 -15.113 5.910 7.570 1.00 23.20 C ATOM 1753 OG SER B 78 -13.945 6.440 6.959 1.00 65.25 O ATOM 0 H SER B 78 -15.796 5.418 5.280 1.00 73.31 H new ATOM 0 HA SER B 78 -14.450 3.918 7.282 1.00 61.04 H new ATOM 0 HB2 SER B 78 -15.973 6.534 7.324 1.00 23.20 H new ATOM 0 HB3 SER B 78 -15.003 5.931 8.654 1.00 23.20 H new ATOM 0 HG SER B 78 -14.020 6.360 5.985 1.00 65.25 H new ATOM 1758 N GLY B 79 -16.131 2.741 8.637 1.00 52.31 N ATOM 1759 CA GLY B 79 -17.075 1.981 9.438 1.00 3.52 C ATOM 1760 C GLY B 79 -18.086 1.211 8.589 1.00 21.21 C ATOM 1761 O GLY B 79 -19.132 0.839 9.120 1.00 31.22 O ATOM 0 H GLY B 79 -15.175 2.389 8.691 1.00 52.31 H new ATOM 0 HA2 GLY B 79 -16.528 1.280 10.068 1.00 3.52 H new ATOM 0 HA3 GLY B 79 -17.608 2.659 10.104 1.00 3.52 H new ATOM 1765 N PHE B 80 -17.813 0.985 7.295 1.00 12.32 N ATOM 1766 CA PHE B 80 -18.713 0.274 6.394 1.00 71.45 C ATOM 1767 C PHE B 80 -19.061 -1.102 6.967 1.00 24.20 C ATOM 1768 O PHE B 80 -18.173 -1.915 7.246 1.00 14.44 O ATOM 1769 CB PHE B 80 -18.109 0.199 4.988 1.00 5.42 C ATOM 1770 CG PHE B 80 -19.061 -0.269 3.905 1.00 41.02 C ATOM 1771 CD1 PHE B 80 -20.163 0.531 3.545 1.00 23.25 C ATOM 1772 CD2 PHE B 80 -18.828 -1.473 3.216 1.00 3.51 C ATOM 1773 CE1 PHE B 80 -21.058 0.101 2.550 1.00 63.31 C ATOM 1774 CE2 PHE B 80 -19.708 -1.891 2.203 1.00 12.44 C ATOM 1775 CZ PHE B 80 -20.833 -1.113 1.879 1.00 70.02 C ATOM 0 H PHE B 80 -16.951 1.296 6.847 1.00 12.32 H new ATOM 0 HA PHE B 80 -19.650 0.824 6.305 1.00 71.45 H new ATOM 0 HB2 PHE B 80 -17.732 1.185 4.718 1.00 5.42 H new ATOM 0 HB3 PHE B 80 -17.252 -0.474 5.013 1.00 5.42 H new ATOM 0 HD1 PHE B 80 -20.321 1.480 4.036 1.00 23.25 H new ATOM 0 HD2 PHE B 80 -17.970 -2.079 3.466 1.00 3.51 H new ATOM 0 HE1 PHE B 80 -21.919 0.704 2.301 1.00 63.31 H new ATOM 0 HE2 PHE B 80 -19.519 -2.812 1.672 1.00 12.44 H new ATOM 0 HZ PHE B 80 -21.522 -1.447 1.117 1.00 70.02 H new ATOM 1784 N ASN B 81 -20.355 -1.316 7.192 1.00 73.03 N ATOM 1785 CA ASN B 81 -20.977 -2.512 7.742 1.00 54.11 C ATOM 1786 C ASN B 81 -20.965 -3.648 6.719 1.00 24.52 C ATOM 1787 O ASN B 81 -21.586 -3.523 5.660 1.00 1.15 O ATOM 1788 CB ASN B 81 -22.419 -2.147 8.146 1.00 63.10 C ATOM 1789 CG ASN B 81 -23.241 -3.308 8.692 1.00 1.30 C ATOM 1790 OD1 ASN B 81 -22.730 -4.380 9.013 1.00 45.51 O ATOM 1791 ND2 ASN B 81 -24.536 -3.108 8.855 1.00 33.03 N ATOM 0 H ASN B 81 -21.048 -0.599 6.977 1.00 73.03 H new ATOM 0 HA ASN B 81 -20.422 -2.862 8.612 1.00 54.11 H new ATOM 0 HB2 ASN B 81 -22.383 -1.360 8.899 1.00 63.10 H new ATOM 0 HB3 ASN B 81 -22.932 -1.734 7.277 1.00 63.10 H new ATOM 0 HD21 ASN B 81 -25.120 -3.845 9.250 1.00 33.03 H new ATOM 0 HD22 ASN B 81 -24.952 -2.216 8.586 1.00 33.03 H new ATOM 1797 N VAL B 82 -20.260 -4.746 6.997 1.00 62.22 N ATOM 1798 CA VAL B 82 -20.159 -5.925 6.133 1.00 2.31 C ATOM 1799 C VAL B 82 -20.001 -7.166 7.009 1.00 24.41 C ATOM 1800 O VAL B 82 -19.323 -7.111 8.036 1.00 73.20 O ATOM 1801 CB VAL B 82 -18.980 -5.822 5.137 1.00 40.51 C ATOM 1802 CG1 VAL B 82 -19.281 -4.841 4.002 1.00 31.22 C ATOM 1803 CG2 VAL B 82 -17.651 -5.412 5.788 1.00 41.54 C ATOM 0 H VAL B 82 -19.725 -4.843 7.860 1.00 62.22 H new ATOM 0 HA VAL B 82 -21.070 -5.992 5.539 1.00 2.31 H new ATOM 0 HB VAL B 82 -18.868 -6.833 4.745 1.00 40.51 H new ATOM 0 HG11 VAL B 82 -18.429 -4.797 3.324 1.00 31.22 H new ATOM 0 HG12 VAL B 82 -20.163 -5.176 3.456 1.00 31.22 H new ATOM 0 HG13 VAL B 82 -19.466 -3.850 4.417 1.00 31.22 H new ATOM 0 HG21 VAL B 82 -16.873 -5.361 5.026 1.00 41.54 H new ATOM 0 HG22 VAL B 82 -17.762 -4.435 6.258 1.00 41.54 H new ATOM 0 HG23 VAL B 82 -17.373 -6.148 6.542 1.00 41.54 H new ATOM 1813 N CYS B 83 -20.587 -8.292 6.590 1.00 35.23 N ATOM 1814 CA CYS B 83 -20.560 -9.589 7.268 1.00 62.10 C ATOM 1815 C CYS B 83 -20.692 -9.471 8.797 1.00 23.43 C ATOM 1816 O CYS B 83 -19.882 -10.033 9.537 1.00 62.32 O ATOM 1817 CB CYS B 83 -19.295 -10.360 6.854 1.00 73.31 C ATOM 1818 SG CYS B 83 -19.193 -10.547 5.047 1.00 44.03 S ATOM 0 H CYS B 83 -21.121 -8.323 5.722 1.00 35.23 H new ATOM 0 HA CYS B 83 -21.437 -10.152 6.949 1.00 62.10 H new ATOM 0 HB2 CYS B 83 -18.412 -9.835 7.217 1.00 73.31 H new ATOM 0 HB3 CYS B 83 -19.297 -11.344 7.324 1.00 73.31 H new ATOM 0 HG CYS B 83 -18.112 -11.200 4.739 1.00 44.03 H new ATOM 1823 N ASN B 84 -21.721 -8.757 9.274 1.00 40.01 N ATOM 1824 CA ASN B 84 -22.012 -8.542 10.699 1.00 72.33 C ATOM 1825 C ASN B 84 -20.851 -7.890 11.477 1.00 12.55 C ATOM 1826 O ASN B 84 -20.735 -8.050 12.695 1.00 31.41 O ATOM 1827 CB ASN B 84 -22.522 -9.857 11.324 1.00 53.21 C ATOM 1828 CG ASN B 84 -23.103 -9.691 12.725 1.00 4.45 C ATOM 1829 OD1 ASN B 84 -23.723 -8.688 13.065 1.00 34.14 O ATOM 1830 ND2 ASN B 84 -22.981 -10.696 13.572 1.00 3.23 N ATOM 0 H ASN B 84 -22.395 -8.299 8.660 1.00 40.01 H new ATOM 0 HA ASN B 84 -22.809 -7.802 10.776 1.00 72.33 H new ATOM 0 HB2 ASN B 84 -23.285 -10.285 10.673 1.00 53.21 H new ATOM 0 HB3 ASN B 84 -21.700 -10.571 11.365 1.00 53.21 H new ATOM 0 HD21 ASN B 84 -23.400 -10.635 14.500 1.00 3.23 H new ATOM 0 HD22 ASN B 84 -22.468 -11.534 13.299 1.00 3.23 H new ATOM 1836 N ARG B 85 -19.959 -7.170 10.794 1.00 42.23 N ATOM 1837 CA ARG B 85 -18.799 -6.453 11.322 1.00 42.23 C ATOM 1838 C ARG B 85 -18.747 -5.087 10.630 1.00 14.12 C ATOM 1839 O ARG B 85 -19.626 -4.747 9.840 1.00 60.11 O ATOM 1840 CB ARG B 85 -17.502 -7.256 11.077 1.00 23.23 C ATOM 1841 CG ARG B 85 -17.399 -8.595 11.822 1.00 72.33 C ATOM 1842 CD ARG B 85 -17.390 -8.434 13.348 1.00 62.43 C ATOM 1843 NE ARG B 85 -16.862 -9.640 14.008 1.00 4.11 N ATOM 1844 CZ ARG B 85 -17.006 -9.975 15.295 1.00 20.22 C ATOM 1845 NH1 ARG B 85 -17.648 -9.180 16.146 1.00 73.54 N ATOM 1846 NH2 ARG B 85 -16.520 -11.126 15.744 1.00 64.03 N ATOM 0 H ARG B 85 -20.035 -7.066 9.782 1.00 42.23 H new ATOM 0 HA ARG B 85 -18.888 -6.321 12.400 1.00 42.23 H new ATOM 0 HB2 ARG B 85 -17.411 -7.448 10.008 1.00 23.23 H new ATOM 0 HB3 ARG B 85 -16.653 -6.636 11.363 1.00 23.23 H new ATOM 0 HG2 ARG B 85 -18.237 -9.230 11.534 1.00 72.33 H new ATOM 0 HG3 ARG B 85 -16.489 -9.108 11.511 1.00 72.33 H new ATOM 0 HD2 ARG B 85 -16.783 -7.571 13.622 1.00 62.43 H new ATOM 0 HD3 ARG B 85 -18.402 -8.236 13.701 1.00 62.43 H new ATOM 0 HE ARG B 85 -16.332 -10.286 13.424 1.00 4.11 H new ATOM 0 HH11 ARG B 85 -18.041 -8.297 15.821 1.00 73.54 H new ATOM 0 HH12 ARG B 85 -17.747 -9.454 17.124 1.00 73.54 H new ATOM 0 HH21 ARG B 85 -16.035 -11.758 15.107 1.00 64.03 H new ATOM 0 HH22 ARG B 85 -16.632 -11.378 16.726 1.00 64.03 H new ATOM 1857 N TYR B 86 -17.718 -4.297 10.919 1.00 74.32 N ATOM 1858 CA TYR B 86 -17.484 -2.965 10.378 1.00 42.11 C ATOM 1859 C TYR B 86 -15.999 -2.872 10.044 1.00 41.23 C ATOM 1860 O TYR B 86 -15.161 -3.358 10.818 1.00 53.21 O ATOM 1861 CB TYR B 86 -17.933 -1.891 11.388 1.00 3.22 C ATOM 1862 CG TYR B 86 -17.546 -2.161 12.837 1.00 31.51 C ATOM 1863 CD1 TYR B 86 -18.279 -3.102 13.587 1.00 20.03 C ATOM 1864 CD2 TYR B 86 -16.456 -1.499 13.434 1.00 23.13 C ATOM 1865 CE1 TYR B 86 -17.904 -3.419 14.899 1.00 44.14 C ATOM 1866 CE2 TYR B 86 -16.087 -1.794 14.761 1.00 72.02 C ATOM 1867 CZ TYR B 86 -16.811 -2.760 15.494 1.00 45.14 C ATOM 1868 OH TYR B 86 -16.495 -3.066 16.776 1.00 63.04 O ATOM 0 H TYR B 86 -16.988 -4.585 11.571 1.00 74.32 H new ATOM 0 HA TYR B 86 -18.068 -2.790 9.474 1.00 42.11 H new ATOM 0 HB2 TYR B 86 -17.509 -0.933 11.088 1.00 3.22 H new ATOM 0 HB3 TYR B 86 -19.017 -1.792 11.331 1.00 3.22 H new ATOM 0 HD1 TYR B 86 -19.139 -3.584 13.146 1.00 20.03 H new ATOM 0 HD2 TYR B 86 -15.901 -0.762 12.872 1.00 23.13 H new ATOM 0 HE1 TYR B 86 -18.452 -4.167 15.453 1.00 44.14 H new ATOM 0 HE2 TYR B 86 -15.252 -1.283 15.217 1.00 72.02 H new ATOM 0 HH TYR B 86 -15.720 -2.537 17.057 1.00 63.04 H new ATOM 1877 N LEU B 87 -15.661 -2.290 8.889 1.00 23.31 N ATOM 1878 CA LEU B 87 -14.272 -2.145 8.455 1.00 45.25 C ATOM 1879 C LEU B 87 -13.671 -0.855 9.011 1.00 62.11 C ATOM 1880 O LEU B 87 -14.369 0.133 9.230 1.00 42.33 O ATOM 1881 CB LEU B 87 -14.154 -2.174 6.915 1.00 74.11 C ATOM 1882 CG LEU B 87 -14.607 -3.489 6.261 1.00 63.10 C ATOM 1883 CD1 LEU B 87 -14.475 -3.367 4.739 1.00 2.02 C ATOM 1884 CD2 LEU B 87 -13.797 -4.701 6.746 1.00 12.40 C ATOM 0 H LEU B 87 -16.342 -1.908 8.232 1.00 23.31 H new ATOM 0 HA LEU B 87 -13.711 -2.993 8.848 1.00 45.25 H new ATOM 0 HB2 LEU B 87 -14.746 -1.357 6.503 1.00 74.11 H new ATOM 0 HB3 LEU B 87 -13.116 -1.986 6.640 1.00 74.11 H new ATOM 0 HG LEU B 87 -15.645 -3.656 6.549 1.00 63.10 H new ATOM 0 HD11 LEU B 87 -14.795 -4.298 4.270 1.00 2.02 H new ATOM 0 HD12 LEU B 87 -15.100 -2.548 4.384 1.00 2.02 H new ATOM 0 HD13 LEU B 87 -13.435 -3.169 4.479 1.00 2.02 H new ATOM 0 HD21 LEU B 87 -14.160 -5.602 6.252 1.00 12.40 H new ATOM 0 HD22 LEU B 87 -12.744 -4.554 6.506 1.00 12.40 H new ATOM 0 HD23 LEU B 87 -13.912 -4.808 7.825 1.00 12.40 H new ATOM 1895 N VAL B 88 -12.365 -0.893 9.258 1.00 43.15 N ATOM 1896 CA VAL B 88 -11.554 0.207 9.770 1.00 51.34 C ATOM 1897 C VAL B 88 -11.094 1.035 8.558 1.00 3.33 C ATOM 1898 O VAL B 88 -11.019 0.518 7.445 1.00 13.41 O ATOM 1899 CB VAL B 88 -10.334 -0.402 10.510 1.00 62.33 C ATOM 1900 CG1 VAL B 88 -9.492 0.637 11.267 1.00 34.53 C ATOM 1901 CG2 VAL B 88 -10.733 -1.480 11.532 1.00 31.33 C ATOM 0 H VAL B 88 -11.815 -1.737 9.098 1.00 43.15 H new ATOM 0 HA VAL B 88 -12.108 0.842 10.461 1.00 51.34 H new ATOM 0 HB VAL B 88 -9.744 -0.838 9.704 1.00 62.33 H new ATOM 0 HG11 VAL B 88 -8.657 0.139 11.760 1.00 34.53 H new ATOM 0 HG12 VAL B 88 -9.110 1.377 10.564 1.00 34.53 H new ATOM 0 HG13 VAL B 88 -10.111 1.132 12.015 1.00 34.53 H new ATOM 0 HG21 VAL B 88 -9.838 -1.869 12.018 1.00 31.33 H new ATOM 0 HG22 VAL B 88 -11.393 -1.044 12.282 1.00 31.33 H new ATOM 0 HG23 VAL B 88 -11.251 -2.292 11.021 1.00 31.33 H new ATOM 1911 N VAL B 89 -10.753 2.306 8.722 1.00 32.40 N ATOM 1912 CA VAL B 89 -10.271 3.125 7.617 1.00 41.31 C ATOM 1913 C VAL B 89 -9.182 4.003 8.231 1.00 33.40 C ATOM 1914 O VAL B 89 -9.436 4.647 9.255 1.00 12.23 O ATOM 1915 CB VAL B 89 -11.449 3.845 6.911 1.00 34.54 C ATOM 1916 CG1 VAL B 89 -10.924 4.778 5.831 1.00 64.44 C ATOM 1917 CG2 VAL B 89 -12.351 2.840 6.165 1.00 13.32 C ATOM 0 H VAL B 89 -10.802 2.795 9.616 1.00 32.40 H new ATOM 0 HA VAL B 89 -9.829 2.566 6.792 1.00 41.31 H new ATOM 0 HB VAL B 89 -11.998 4.375 7.690 1.00 34.54 H new ATOM 0 HG11 VAL B 89 -11.761 5.277 5.343 1.00 64.44 H new ATOM 0 HG12 VAL B 89 -10.269 5.524 6.281 1.00 64.44 H new ATOM 0 HG13 VAL B 89 -10.365 4.202 5.093 1.00 64.44 H new ATOM 0 HG21 VAL B 89 -13.168 3.375 5.680 1.00 13.32 H new ATOM 0 HG22 VAL B 89 -11.764 2.314 5.412 1.00 13.32 H new ATOM 0 HG23 VAL B 89 -12.759 2.121 6.875 1.00 13.32 H new ATOM 1927 N LEU B 90 -7.953 3.962 7.703 1.00 74.01 N ATOM 1928 CA LEU B 90 -6.830 4.739 8.206 1.00 30.31 C ATOM 1929 C LEU B 90 -5.852 5.031 7.067 1.00 44.01 C ATOM 1930 O LEU B 90 -5.687 4.208 6.162 1.00 44.30 O ATOM 1931 CB LEU B 90 -6.136 3.915 9.307 1.00 11.13 C ATOM 1932 CG LEU B 90 -5.016 4.661 10.045 1.00 51.44 C ATOM 1933 CD1 LEU B 90 -5.546 5.881 10.802 1.00 70.21 C ATOM 1934 CD2 LEU B 90 -4.318 3.746 11.055 1.00 73.13 C ATOM 0 H LEU B 90 -7.714 3.377 6.902 1.00 74.01 H new ATOM 0 HA LEU B 90 -7.175 5.690 8.613 1.00 30.31 H new ATOM 0 HB2 LEU B 90 -6.885 3.598 10.033 1.00 11.13 H new ATOM 0 HB3 LEU B 90 -5.721 3.011 8.861 1.00 11.13 H new ATOM 0 HG LEU B 90 -4.311 4.987 9.280 1.00 51.44 H new ATOM 0 HD11 LEU B 90 -4.721 6.380 11.310 1.00 70.21 H new ATOM 0 HD12 LEU B 90 -6.010 6.572 10.099 1.00 70.21 H new ATOM 0 HD13 LEU B 90 -6.284 5.561 11.537 1.00 70.21 H new ATOM 0 HD21 LEU B 90 -3.529 4.300 11.563 1.00 73.13 H new ATOM 0 HD22 LEU B 90 -5.043 3.393 11.788 1.00 73.13 H new ATOM 0 HD23 LEU B 90 -3.884 2.893 10.534 1.00 73.13 H new ATOM 1945 N TYR B 91 -5.208 6.196 7.101 1.00 74.12 N ATOM 1946 CA TYR B 91 -4.237 6.583 6.086 1.00 23.01 C ATOM 1947 C TYR B 91 -2.900 5.910 6.389 1.00 21.15 C ATOM 1948 O TYR B 91 -2.615 5.549 7.539 1.00 75.00 O ATOM 1949 CB TYR B 91 -4.084 8.112 6.061 1.00 2.02 C ATOM 1950 CG TYR B 91 -5.412 8.836 5.972 1.00 11.25 C ATOM 1951 CD1 TYR B 91 -6.262 8.591 4.880 1.00 23.12 C ATOM 1952 CD2 TYR B 91 -5.831 9.694 7.008 1.00 2.51 C ATOM 1953 CE1 TYR B 91 -7.529 9.183 4.822 1.00 73.12 C ATOM 1954 CE2 TYR B 91 -7.105 10.286 6.962 1.00 1.24 C ATOM 1955 CZ TYR B 91 -7.962 10.017 5.873 1.00 12.20 C ATOM 1956 OH TYR B 91 -9.204 10.563 5.816 1.00 31.32 O ATOM 0 H TYR B 91 -5.346 6.895 7.831 1.00 74.12 H new ATOM 0 HA TYR B 91 -4.582 6.260 5.104 1.00 23.01 H new ATOM 0 HB2 TYR B 91 -3.560 8.434 6.961 1.00 2.02 H new ATOM 0 HB3 TYR B 91 -3.463 8.396 5.211 1.00 2.02 H new ATOM 0 HD1 TYR B 91 -5.936 7.942 4.081 1.00 23.12 H new ATOM 0 HD2 TYR B 91 -5.172 9.897 7.839 1.00 2.51 H new ATOM 0 HE1 TYR B 91 -8.173 9.001 3.974 1.00 73.12 H new ATOM 0 HE2 TYR B 91 -7.427 10.944 7.756 1.00 1.24 H new ATOM 0 HH TYR B 91 -9.357 11.112 6.613 1.00 31.32 H new ATOM 1965 N TYR B 92 -2.071 5.753 5.362 1.00 65.02 N ATOM 1966 CA TYR B 92 -0.754 5.144 5.505 1.00 41.23 C ATOM 1967 C TYR B 92 0.188 6.172 6.165 1.00 40.04 C ATOM 1968 O TYR B 92 -0.224 7.310 6.417 1.00 61.54 O ATOM 1969 CB TYR B 92 -0.321 4.651 4.120 1.00 21.11 C ATOM 1970 CG TYR B 92 1.047 4.008 4.044 1.00 61.20 C ATOM 1971 CD1 TYR B 92 1.388 2.939 4.899 1.00 63.45 C ATOM 1972 CD2 TYR B 92 1.991 4.501 3.126 1.00 34.04 C ATOM 1973 CE1 TYR B 92 2.681 2.388 4.857 1.00 73.20 C ATOM 1974 CE2 TYR B 92 3.279 3.955 3.077 1.00 22.02 C ATOM 1975 CZ TYR B 92 3.635 2.909 3.955 1.00 14.04 C ATOM 1976 OH TYR B 92 4.870 2.361 3.833 1.00 33.24 O ATOM 0 H TYR B 92 -2.293 6.044 4.410 1.00 65.02 H new ATOM 0 HA TYR B 92 -0.742 4.273 6.161 1.00 41.23 H new ATOM 0 HB2 TYR B 92 -1.059 3.932 3.765 1.00 21.11 H new ATOM 0 HB3 TYR B 92 -0.342 5.496 3.432 1.00 21.11 H new ATOM 0 HD1 TYR B 92 0.655 2.543 5.587 1.00 63.45 H new ATOM 0 HD2 TYR B 92 1.721 5.304 2.456 1.00 34.04 H new ATOM 0 HE1 TYR B 92 2.944 1.570 5.512 1.00 73.20 H new ATOM 0 HE2 TYR B 92 4.000 4.334 2.368 1.00 22.02 H new ATOM 0 HH TYR B 92 4.831 1.601 3.215 1.00 33.24 H new ATOM 1985 N ASN B 93 1.429 5.798 6.480 1.00 1.43 N ATOM 1986 CA ASN B 93 2.408 6.662 7.136 1.00 44.34 C ATOM 1987 C ASN B 93 3.663 6.838 6.311 1.00 0.10 C ATOM 1988 O ASN B 93 3.788 6.284 5.198 1.00 13.13 O ATOM 1989 CB ASN B 93 2.752 6.097 8.523 1.00 2.30 C ATOM 1990 CG ASN B 93 3.683 4.897 8.406 1.00 11.55 C ATOM 1991 OD1 ASN B 93 3.228 3.766 8.301 1.00 73.24 O ATOM 1992 ND2 ASN B 93 4.985 5.105 8.387 1.00 42.33 N ATOM 0 H ASN B 93 1.788 4.864 6.281 1.00 1.43 H new ATOM 0 HA ASN B 93 1.958 7.649 7.244 1.00 44.34 H new ATOM 0 HB2 ASN B 93 3.224 6.871 9.128 1.00 2.30 H new ATOM 0 HB3 ASN B 93 1.837 5.804 9.038 1.00 2.30 H new ATOM 0 HD21 ASN B 93 5.626 4.318 8.284 1.00 42.33 H new ATOM 0 HD22 ASN B 93 5.351 6.053 8.475 1.00 42.33 H new