USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 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 -179:sc= 1.36 USER MOD Set 1.2: B 78 SER OG : rot 82:sc= 0.0058 USER MOD Set 1.3: B 91 TYR OH : rot 58:sc= 0.185 USER MOD Set 2.1: B 53 THR OG1 : rot 25:sc= 0.422 USER MOD Set 2.2: B 56 THR OG1 : rot -174:sc= 1.64 USER MOD Set 3.1: A 412 TYR OH : rot -159:sc= 0.224 USER MOD Set 3.2: B 22 TYR OH : rot -44:sc= 0.468 USER MOD Set 3.3: B 59 THR OG1 : rot -42:sc= 1.09 USER MOD Set 3.4: B 61 TYR OH : rot 165:sc= 0 USER MOD Single : A 407 MET CE :methyl 169:sc= -0.0203 (180deg=-0.238) USER MOD Single : A 413 LYS NZ :NH3+ -168:sc=-0.00966 (180deg=-0.17) USER MOD Single : B 18 ASN : amide:sc= 0.0216 K(o=0.022,f=-9.1!) USER MOD Single : B 25 ASN : amide:sc= 0.592 K(o=0.59,f=-0.98) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 144:sc= -0.108 (180deg=-1.51!) USER MOD Single : B 31 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 TYR OH : rot 4:sc= 0.0117 USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 76 HIS : no HE2:sc= 0.0218 X(o=0.022,f=-0.17) USER MOD Single : B 81 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.4) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 167:sc= 1.28 USER MOD Single : B 93 ASN : amide:sc= -0.048 X(o=-0.048,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 7.520 0.532 -4.884 1.00 25.22 N ATOM 392 CA LEU A 404 6.284 0.320 -4.145 1.00 2.05 C ATOM 393 C LEU A 404 6.499 -0.828 -3.157 1.00 12.43 C ATOM 394 O LEU A 404 6.065 -0.739 -2.014 1.00 35.40 O ATOM 395 CB LEU A 404 5.133 0.010 -5.118 1.00 42.55 C ATOM 396 CG LEU A 404 3.745 0.153 -4.476 1.00 64.32 C ATOM 397 CD1 LEU A 404 3.443 1.608 -4.106 1.00 64.14 C ATOM 398 CD2 LEU A 404 2.665 -0.323 -5.451 1.00 74.31 C ATOM 0 HA LEU A 404 6.014 1.220 -3.593 1.00 2.05 H new ATOM 0 HB2 LEU A 404 5.200 0.679 -5.976 1.00 42.55 H new ATOM 0 HB3 LEU A 404 5.249 -1.006 -5.496 1.00 42.55 H new ATOM 0 HG LEU A 404 3.744 -0.455 -3.571 1.00 64.32 H new ATOM 0 HD11 LEU A 404 2.453 1.671 -3.654 1.00 64.14 H new ATOM 0 HD12 LEU A 404 4.189 1.965 -3.396 1.00 64.14 H new ATOM 0 HD13 LEU A 404 3.472 2.225 -5.004 1.00 64.14 H new ATOM 0 HD21 LEU A 404 1.684 -0.218 -4.987 1.00 74.31 H new ATOM 0 HD22 LEU A 404 2.703 0.279 -6.359 1.00 74.31 H new ATOM 0 HD23 LEU A 404 2.837 -1.370 -5.702 1.00 74.31 H new ATOM 409 N ASP A 405 7.209 -1.876 -3.577 1.00 20.23 N ATOM 410 CA ASP A 405 7.514 -3.045 -2.757 1.00 70.02 C ATOM 411 C ASP A 405 8.492 -2.719 -1.619 1.00 22.22 C ATOM 412 O ASP A 405 8.712 -3.556 -0.745 1.00 35.10 O ATOM 413 CB ASP A 405 8.059 -4.176 -3.638 1.00 40.44 C ATOM 414 CG ASP A 405 8.072 -5.505 -2.885 1.00 11.10 C ATOM 415 OD1 ASP A 405 7.011 -5.903 -2.348 1.00 4.13 O ATOM 416 OD2 ASP A 405 9.112 -6.196 -2.879 1.00 1.04 O ATOM 0 H ASP A 405 7.596 -1.935 -4.519 1.00 20.23 H new ATOM 0 HA ASP A 405 6.585 -3.372 -2.289 1.00 70.02 H new ATOM 0 HB2 ASP A 405 7.447 -4.269 -4.535 1.00 40.44 H new ATOM 0 HB3 ASP A 405 9.069 -3.931 -3.966 1.00 40.44 H new ATOM 420 N ALA A 406 9.105 -1.530 -1.622 1.00 33.31 N ATOM 421 CA ALA A 406 10.039 -1.066 -0.600 1.00 50.13 C ATOM 422 C ALA A 406 9.299 -0.178 0.402 1.00 55.54 C ATOM 423 O ALA A 406 9.574 -0.218 1.601 1.00 21.42 O ATOM 424 CB ALA A 406 11.172 -0.274 -1.258 1.00 44.42 C ATOM 0 H ALA A 406 8.957 -0.844 -2.362 1.00 33.31 H new ATOM 0 HA ALA A 406 10.461 -1.925 -0.078 1.00 50.13 H new ATOM 0 HB1 ALA A 406 11.867 0.071 -0.493 1.00 44.42 H new ATOM 0 HB2 ALA A 406 11.700 -0.913 -1.966 1.00 44.42 H new ATOM 0 HB3 ALA A 406 10.757 0.585 -1.785 1.00 44.42 H new ATOM 430 N MET A 407 8.337 0.611 -0.084 1.00 42.10 N ATOM 431 CA MET A 407 7.536 1.512 0.732 1.00 31.53 C ATOM 432 C MET A 407 6.538 0.766 1.629 1.00 73.42 C ATOM 433 O MET A 407 5.904 1.412 2.464 1.00 41.22 O ATOM 434 CB MET A 407 6.767 2.482 -0.175 1.00 54.02 C ATOM 435 CG MET A 407 7.638 3.437 -0.990 1.00 72.41 C ATOM 436 SD MET A 407 6.723 4.391 -2.238 1.00 15.24 S ATOM 437 CE MET A 407 5.614 5.338 -1.155 1.00 52.23 C ATOM 0 H MET A 407 8.093 0.638 -1.074 1.00 42.10 H new ATOM 0 HA MET A 407 8.224 2.053 1.382 1.00 31.53 H new ATOM 0 HB2 MET A 407 6.151 1.902 -0.862 1.00 54.02 H new ATOM 0 HB3 MET A 407 6.088 3.071 0.442 1.00 54.02 H new ATOM 0 HG2 MET A 407 8.134 4.130 -0.310 1.00 72.41 H new ATOM 0 HG3 MET A 407 8.420 2.864 -1.488 1.00 72.41 H new ATOM 0 HE1 MET A 407 5.117 6.116 -1.734 1.00 52.23 H new ATOM 0 HE2 MET A 407 4.866 4.671 -0.727 1.00 52.23 H new ATOM 0 HE3 MET A 407 6.193 5.796 -0.353 1.00 52.23 H new ATOM 445 N PHE A 408 6.284 -0.530 1.411 1.00 12.14 N ATOM 446 CA PHE A 408 5.363 -1.338 2.212 1.00 61.14 C ATOM 447 C PHE A 408 6.090 -2.449 2.976 1.00 73.52 C ATOM 448 O PHE A 408 7.151 -2.894 2.521 1.00 63.53 O ATOM 449 CB PHE A 408 4.305 -1.960 1.301 1.00 72.24 C ATOM 450 CG PHE A 408 3.252 -1.011 0.790 1.00 14.43 C ATOM 451 CD1 PHE A 408 2.313 -0.454 1.676 1.00 13.24 C ATOM 452 CD2 PHE A 408 3.174 -0.730 -0.582 1.00 72.44 C ATOM 453 CE1 PHE A 408 1.301 0.382 1.182 1.00 14.54 C ATOM 454 CE2 PHE A 408 2.182 0.129 -1.069 1.00 40.31 C ATOM 455 CZ PHE A 408 1.237 0.673 -0.193 1.00 31.00 C ATOM 0 H PHE A 408 6.724 -1.056 0.656 1.00 12.14 H new ATOM 0 HA PHE A 408 4.896 -0.679 2.944 1.00 61.14 H new ATOM 0 HB2 PHE A 408 4.807 -2.413 0.446 1.00 72.24 H new ATOM 0 HB3 PHE A 408 3.811 -2.766 1.844 1.00 72.24 H new ATOM 0 HD1 PHE A 408 2.371 -0.669 2.733 1.00 13.24 H new ATOM 0 HD2 PHE A 408 3.881 -1.178 -1.264 1.00 72.44 H new ATOM 0 HE1 PHE A 408 0.571 0.803 1.857 1.00 14.54 H new ATOM 0 HE2 PHE A 408 2.146 0.372 -2.121 1.00 40.31 H new ATOM 0 HZ PHE A 408 0.457 1.317 -0.572 1.00 31.00 H new ATOM 464 N PRO A 409 5.504 -2.971 4.068 1.00 1.05 N ATOM 465 CA PRO A 409 6.101 -4.052 4.845 1.00 43.54 C ATOM 466 C PRO A 409 5.945 -5.402 4.131 1.00 74.12 C ATOM 467 O PRO A 409 5.198 -5.543 3.152 1.00 31.34 O ATOM 468 CB PRO A 409 5.341 -4.054 6.172 1.00 32.34 C ATOM 469 CG PRO A 409 3.961 -3.537 5.791 1.00 42.55 C ATOM 470 CD PRO A 409 4.263 -2.523 4.693 1.00 30.44 C ATOM 0 HA PRO A 409 7.172 -3.903 4.983 1.00 43.54 H new ATOM 0 HB2 PRO A 409 5.290 -5.053 6.604 1.00 32.34 H new ATOM 0 HB3 PRO A 409 5.821 -3.412 6.910 1.00 32.34 H new ATOM 0 HG2 PRO A 409 3.315 -4.339 5.433 1.00 42.55 H new ATOM 0 HG3 PRO A 409 3.455 -3.075 6.639 1.00 42.55 H new ATOM 0 HD2 PRO A 409 3.452 -2.481 3.966 1.00 30.44 H new ATOM 0 HD3 PRO A 409 4.373 -1.520 5.106 1.00 30.44 H new ATOM 475 N GLU A 410 6.692 -6.392 4.608 1.00 43.55 N ATOM 476 CA GLU A 410 6.677 -7.757 4.100 1.00 72.43 C ATOM 477 C GLU A 410 5.536 -8.523 4.772 1.00 1.13 C ATOM 478 O GLU A 410 4.852 -8.000 5.657 1.00 24.21 O ATOM 479 CB GLU A 410 8.034 -8.421 4.346 1.00 5.43 C ATOM 480 CG GLU A 410 9.034 -7.913 3.307 1.00 71.34 C ATOM 481 CD GLU A 410 10.478 -8.112 3.737 1.00 40.35 C ATOM 482 OE1 GLU A 410 10.853 -9.249 4.091 1.00 31.51 O ATOM 483 OE2 GLU A 410 11.219 -7.099 3.724 1.00 30.22 O ATOM 0 H GLU A 410 7.344 -6.262 5.382 1.00 43.55 H new ATOM 0 HA GLU A 410 6.506 -7.760 3.024 1.00 72.43 H new ATOM 0 HB2 GLU A 410 8.388 -8.193 5.351 1.00 5.43 H new ATOM 0 HB3 GLU A 410 7.940 -9.505 4.279 1.00 5.43 H new ATOM 0 HG2 GLU A 410 8.866 -8.431 2.363 1.00 71.34 H new ATOM 0 HG3 GLU A 410 8.856 -6.853 3.125 1.00 71.34 H new ATOM 488 N GLY A 411 5.317 -9.764 4.342 1.00 40.25 N ATOM 489 CA GLY A 411 4.268 -10.594 4.909 1.00 4.33 C ATOM 490 C GLY A 411 2.897 -10.306 4.309 1.00 10.20 C ATOM 491 O GLY A 411 1.894 -10.674 4.920 1.00 51.12 O ATOM 0 H GLY A 411 5.856 -10.213 3.601 1.00 40.25 H new ATOM 0 HA2 GLY A 411 4.516 -11.643 4.750 1.00 4.33 H new ATOM 0 HA3 GLY A 411 4.228 -10.436 5.987 1.00 4.33 H new ATOM 495 N TYR A 412 2.815 -9.674 3.135 1.00 62.04 N ATOM 496 CA TYR A 412 1.571 -9.357 2.437 1.00 55.43 C ATOM 497 C TYR A 412 1.688 -9.946 1.029 1.00 71.44 C ATOM 498 O TYR A 412 2.794 -10.149 0.523 1.00 12.24 O ATOM 499 CB TYR A 412 1.316 -7.837 2.386 1.00 2.25 C ATOM 500 CG TYR A 412 0.910 -7.180 3.699 1.00 62.31 C ATOM 501 CD1 TYR A 412 1.875 -6.910 4.684 1.00 23.42 C ATOM 502 CD2 TYR A 412 -0.433 -6.826 3.938 1.00 44.52 C ATOM 503 CE1 TYR A 412 1.506 -6.346 5.918 1.00 74.32 C ATOM 504 CE2 TYR A 412 -0.817 -6.275 5.175 1.00 25.33 C ATOM 505 CZ TYR A 412 0.152 -6.034 6.174 1.00 73.14 C ATOM 506 OH TYR A 412 -0.234 -5.493 7.362 1.00 61.21 O ATOM 0 H TYR A 412 3.643 -9.359 2.629 1.00 62.04 H new ATOM 0 HA TYR A 412 0.720 -9.785 2.967 1.00 55.43 H new ATOM 0 HB2 TYR A 412 2.221 -7.349 2.024 1.00 2.25 H new ATOM 0 HB3 TYR A 412 0.535 -7.645 1.651 1.00 2.25 H new ATOM 0 HD1 TYR A 412 2.913 -7.138 4.491 1.00 23.42 H new ATOM 0 HD2 TYR A 412 -1.173 -6.979 3.166 1.00 44.52 H new ATOM 0 HE1 TYR A 412 2.257 -6.151 6.669 1.00 74.32 H new ATOM 0 HE2 TYR A 412 -1.854 -6.036 5.360 1.00 25.33 H new ATOM 0 HH TYR A 412 -1.191 -5.655 7.500 1.00 61.21 H new ATOM 515 N LYS A 413 0.565 -10.235 0.370 1.00 42.33 N ATOM 516 CA LYS A 413 0.542 -10.806 -0.979 1.00 15.55 C ATOM 517 C LYS A 413 -0.406 -9.987 -1.837 1.00 22.12 C ATOM 518 O LYS A 413 -1.541 -9.739 -1.415 1.00 2.41 O ATOM 519 CB LYS A 413 0.128 -12.282 -0.912 1.00 31.51 C ATOM 520 CG LYS A 413 0.280 -12.958 -2.282 1.00 43.12 C ATOM 521 CD LYS A 413 -0.255 -14.394 -2.263 1.00 53.40 C ATOM 522 CE LYS A 413 -0.183 -15.067 -3.640 1.00 51.33 C ATOM 523 NZ LYS A 413 -0.957 -14.335 -4.666 1.00 74.32 N ATOM 0 H LYS A 413 -0.364 -10.078 0.761 1.00 42.33 H new ATOM 0 HA LYS A 413 1.534 -10.769 -1.430 1.00 15.55 H new ATOM 0 HB2 LYS A 413 0.741 -12.802 -0.176 1.00 31.51 H new ATOM 0 HB3 LYS A 413 -0.907 -12.359 -0.577 1.00 31.51 H new ATOM 0 HG2 LYS A 413 -0.255 -12.380 -3.035 1.00 43.12 H new ATOM 0 HG3 LYS A 413 1.331 -12.964 -2.571 1.00 43.12 H new ATOM 0 HD2 LYS A 413 0.317 -14.982 -1.545 1.00 53.40 H new ATOM 0 HD3 LYS A 413 -1.289 -14.388 -1.919 1.00 53.40 H new ATOM 0 HE2 LYS A 413 0.859 -15.135 -3.954 1.00 51.33 H new ATOM 0 HE3 LYS A 413 -0.560 -16.087 -3.563 1.00 51.33 H new ATOM 0 HZ1 LYS A 413 -1.048 -14.924 -5.518 1.00 74.32 H new ATOM 0 HZ2 LYS A 413 -1.903 -14.114 -4.295 1.00 74.32 H new ATOM 0 HZ3 LYS A 413 -0.465 -13.451 -4.907 1.00 74.32 H new ATOM 533 N VAL A 414 0.010 -9.626 -3.051 1.00 34.24 N ATOM 534 CA VAL A 414 -0.795 -8.835 -3.972 1.00 41.03 C ATOM 535 C VAL A 414 -1.964 -9.710 -4.435 1.00 62.44 C ATOM 536 O VAL A 414 -1.897 -10.943 -4.460 1.00 32.21 O ATOM 537 CB VAL A 414 0.096 -8.356 -5.149 1.00 12.21 C ATOM 538 CG1 VAL A 414 -0.679 -7.753 -6.333 1.00 71.04 C ATOM 539 CG2 VAL A 414 1.092 -7.282 -4.683 1.00 54.41 C ATOM 0 H VAL A 414 0.925 -9.879 -3.423 1.00 34.24 H new ATOM 0 HA VAL A 414 -1.199 -7.941 -3.497 1.00 41.03 H new ATOM 0 HB VAL A 414 0.595 -9.264 -5.488 1.00 12.21 H new ATOM 0 HG11 VAL A 414 0.023 -7.446 -7.108 1.00 71.04 H new ATOM 0 HG12 VAL A 414 -1.363 -8.499 -6.738 1.00 71.04 H new ATOM 0 HG13 VAL A 414 -1.246 -6.887 -5.993 1.00 71.04 H new ATOM 0 HG21 VAL A 414 1.704 -6.963 -5.526 1.00 54.41 H new ATOM 0 HG22 VAL A 414 0.545 -6.426 -4.287 1.00 54.41 H new ATOM 0 HG23 VAL A 414 1.734 -7.694 -3.904 1.00 54.41 H new ATOM 549 N LEU A 415 -3.072 -9.050 -4.763 1.00 11.30 N ATOM 550 CA LEU A 415 -4.308 -9.651 -5.223 1.00 51.31 C ATOM 551 C LEU A 415 -4.699 -9.008 -6.554 1.00 2.31 C ATOM 552 O LEU A 415 -5.407 -7.996 -6.537 1.00 50.11 O ATOM 553 CB LEU A 415 -5.390 -9.473 -4.146 1.00 32.42 C ATOM 554 CG LEU A 415 -6.724 -10.167 -4.482 1.00 12.22 C ATOM 555 CD1 LEU A 415 -6.572 -11.686 -4.641 1.00 71.23 C ATOM 556 CD2 LEU A 415 -7.700 -9.851 -3.346 1.00 53.13 C ATOM 0 H LEU A 415 -3.129 -8.033 -4.711 1.00 11.30 H new ATOM 0 HA LEU A 415 -4.188 -10.722 -5.389 1.00 51.31 H new ATOM 0 HB2 LEU A 415 -5.016 -9.865 -3.200 1.00 32.42 H new ATOM 0 HB3 LEU A 415 -5.572 -8.408 -4.000 1.00 32.42 H new ATOM 0 HG LEU A 415 -7.090 -9.795 -5.439 1.00 12.22 H new ATOM 0 HD11 LEU A 415 -7.541 -12.126 -4.877 1.00 71.23 H new ATOM 0 HD12 LEU A 415 -5.871 -11.899 -5.448 1.00 71.23 H new ATOM 0 HD13 LEU A 415 -6.196 -12.113 -3.711 1.00 71.23 H new ATOM 0 HD21 LEU A 415 -8.660 -10.327 -3.548 1.00 53.13 H new ATOM 0 HD22 LEU A 415 -7.299 -10.229 -2.406 1.00 53.13 H new ATOM 0 HD23 LEU A 415 -7.838 -8.772 -3.274 1.00 53.13 H new ATOM 567 N PRO A 416 -4.181 -9.503 -7.692 1.00 32.41 N ATOM 568 CA PRO A 416 -4.524 -8.981 -9.014 1.00 25.12 C ATOM 569 C PRO A 416 -6.013 -9.271 -9.315 1.00 60.23 C ATOM 570 O PRO A 416 -6.671 -9.926 -8.500 1.00 72.43 O ATOM 571 CB PRO A 416 -3.601 -9.718 -10.001 1.00 2.20 C ATOM 572 CG PRO A 416 -2.564 -10.417 -9.127 1.00 15.41 C ATOM 573 CD PRO A 416 -3.322 -10.667 -7.831 1.00 0.55 C ATOM 0 HA PRO A 416 -4.388 -7.902 -9.086 1.00 25.12 H new ATOM 0 HB2 PRO A 416 -4.159 -10.436 -10.602 1.00 2.20 H new ATOM 0 HB3 PRO A 416 -3.128 -9.022 -10.694 1.00 2.20 H new ATOM 0 HG2 PRO A 416 -2.217 -11.347 -9.578 1.00 15.41 H new ATOM 0 HG3 PRO A 416 -1.685 -9.793 -8.967 1.00 15.41 H new ATOM 0 HD2 PRO A 416 -3.903 -11.588 -7.881 1.00 0.55 H new ATOM 0 HD3 PRO A 416 -2.643 -10.764 -6.984 1.00 0.55 H new ATOM 578 N PRO A 417 -6.552 -8.853 -10.476 1.00 71.33 N ATOM 579 CA PRO A 417 -7.949 -9.088 -10.856 1.00 23.53 C ATOM 580 C PRO A 417 -8.343 -10.580 -10.849 1.00 11.24 C ATOM 581 O PRO A 417 -7.457 -11.444 -10.740 1.00 54.14 O ATOM 582 CB PRO A 417 -8.112 -8.489 -12.259 1.00 12.32 C ATOM 583 CG PRO A 417 -6.958 -7.511 -12.394 1.00 65.10 C ATOM 584 CD PRO A 417 -5.869 -8.075 -11.495 1.00 53.42 C ATOM 0 HA PRO A 417 -8.611 -8.622 -10.127 1.00 23.53 H new ATOM 0 HB2 PRO A 417 -8.069 -9.261 -13.027 1.00 12.32 H new ATOM 0 HB3 PRO A 417 -9.073 -7.986 -12.366 1.00 12.32 H new ATOM 0 HG2 PRO A 417 -6.620 -7.437 -13.428 1.00 65.10 H new ATOM 0 HG3 PRO A 417 -7.250 -6.508 -12.082 1.00 65.10 H new ATOM 0 HD2 PRO A 417 -5.178 -8.698 -12.063 1.00 53.42 H new ATOM 0 HD3 PRO A 417 -5.281 -7.275 -11.046 1.00 53.42 H new ATOM 589 N PRO A 418 -9.644 -10.901 -11.001 1.00 13.31 N ATOM 590 CA PRO A 418 -10.178 -12.264 -11.013 1.00 63.33 C ATOM 591 C PRO A 418 -9.444 -13.235 -11.939 1.00 73.42 C ATOM 592 O PRO A 418 -8.735 -12.846 -12.872 1.00 12.32 O ATOM 593 CB PRO A 418 -11.642 -12.121 -11.427 1.00 61.10 C ATOM 594 CG PRO A 418 -12.012 -10.732 -10.914 1.00 72.05 C ATOM 595 CD PRO A 418 -10.734 -9.938 -11.130 1.00 2.32 C ATOM 0 HA PRO A 418 -10.049 -12.707 -10.026 1.00 63.33 H new ATOM 0 HB2 PRO A 418 -11.765 -12.198 -12.507 1.00 61.10 H new ATOM 0 HB3 PRO A 418 -12.265 -12.895 -10.979 1.00 61.10 H new ATOM 0 HG2 PRO A 418 -12.850 -10.307 -11.467 1.00 72.05 H new ATOM 0 HG3 PRO A 418 -12.302 -10.753 -9.863 1.00 72.05 H new ATOM 0 HD2 PRO A 418 -10.727 -9.468 -12.113 1.00 2.32 H new ATOM 0 HD3 PRO A 418 -10.640 -9.139 -10.394 1.00 2.32 H new ATOM 826 N VAL B 17 -4.313 13.433 3.895 1.00 11.21 N ATOM 827 CA VAL B 17 -4.832 12.246 3.214 1.00 52.41 C ATOM 828 C VAL B 17 -3.774 11.742 2.227 1.00 10.34 C ATOM 829 O VAL B 17 -2.904 12.513 1.814 1.00 34.41 O ATOM 830 CB VAL B 17 -6.157 12.607 2.504 1.00 41.43 C ATOM 831 CG1 VAL B 17 -6.757 11.420 1.739 1.00 21.14 C ATOM 832 CG2 VAL B 17 -7.186 13.143 3.509 1.00 22.34 C ATOM 0 HA VAL B 17 -5.042 11.448 3.926 1.00 52.41 H new ATOM 0 HB VAL B 17 -5.916 13.383 1.778 1.00 41.43 H new ATOM 0 HG11 VAL B 17 -7.686 11.728 1.259 1.00 21.14 H new ATOM 0 HG12 VAL B 17 -6.051 11.082 0.980 1.00 21.14 H new ATOM 0 HG13 VAL B 17 -6.960 10.605 2.434 1.00 21.14 H new ATOM 0 HG21 VAL B 17 -8.110 13.390 2.987 1.00 22.34 H new ATOM 0 HG22 VAL B 17 -7.388 12.383 4.263 1.00 22.34 H new ATOM 0 HG23 VAL B 17 -6.792 14.037 3.992 1.00 22.34 H new ATOM 842 N ASN B 18 -3.831 10.462 1.847 1.00 45.14 N ATOM 843 CA ASN B 18 -2.917 9.800 0.916 1.00 65.21 C ATOM 844 C ASN B 18 -3.735 8.888 -0.015 1.00 25.02 C ATOM 845 O ASN B 18 -4.890 8.585 0.275 1.00 15.02 O ATOM 846 CB ASN B 18 -1.896 8.984 1.740 1.00 21.12 C ATOM 847 CG ASN B 18 -0.671 8.541 0.941 1.00 54.43 C ATOM 848 OD1 ASN B 18 -0.784 7.920 -0.106 1.00 35.33 O ATOM 849 ND2 ASN B 18 0.528 8.844 1.390 1.00 15.15 N ATOM 0 H ASN B 18 -4.551 9.830 2.198 1.00 45.14 H new ATOM 0 HA ASN B 18 -2.380 10.525 0.304 1.00 65.21 H new ATOM 0 HB2 ASN B 18 -1.567 9.583 2.589 1.00 21.12 H new ATOM 0 HB3 ASN B 18 -2.392 8.102 2.145 1.00 21.12 H new ATOM 0 HD21 ASN B 18 1.356 8.561 0.865 1.00 15.15 H new ATOM 0 HD22 ASN B 18 0.630 9.362 2.263 1.00 15.15 H new ATOM 855 N ARG B 19 -3.176 8.520 -1.174 1.00 40.34 N ATOM 856 CA ARG B 19 -3.789 7.619 -2.157 1.00 60.32 C ATOM 857 C ARG B 19 -3.764 6.184 -1.621 1.00 11.32 C ATOM 858 O ARG B 19 -4.529 5.341 -2.088 1.00 64.31 O ATOM 859 CB ARG B 19 -2.949 7.603 -3.444 1.00 72.41 C ATOM 860 CG ARG B 19 -3.028 8.877 -4.282 1.00 24.34 C ATOM 861 CD ARG B 19 -2.103 8.829 -5.506 1.00 71.43 C ATOM 862 NE ARG B 19 -0.680 8.940 -5.135 1.00 54.10 N ATOM 863 CZ ARG B 19 0.328 9.311 -5.932 1.00 32.44 C ATOM 864 NH1 ARG B 19 0.122 9.511 -7.226 1.00 71.23 N ATOM 865 NH2 ARG B 19 1.550 9.455 -5.438 1.00 63.51 N ATOM 0 H ARG B 19 -2.256 8.852 -1.463 1.00 40.34 H new ATOM 0 HA ARG B 19 -4.805 7.964 -2.346 1.00 60.32 H new ATOM 0 HB2 ARG B 19 -1.907 7.425 -3.178 1.00 72.41 H new ATOM 0 HB3 ARG B 19 -3.269 6.761 -4.058 1.00 72.41 H new ATOM 0 HG2 ARG B 19 -4.056 9.029 -4.612 1.00 24.34 H new ATOM 0 HG3 ARG B 19 -2.763 9.734 -3.662 1.00 24.34 H new ATOM 0 HD2 ARG B 19 -2.264 7.895 -6.044 1.00 71.43 H new ATOM 0 HD3 ARG B 19 -2.363 9.639 -6.188 1.00 71.43 H new ATOM 0 HE ARG B 19 -0.440 8.710 -4.171 1.00 54.10 H new ATOM 0 HH11 ARG B 19 -0.810 9.382 -7.620 1.00 71.23 H new ATOM 0 HH12 ARG B 19 0.895 9.794 -7.828 1.00 71.23 H new ATOM 0 HH21 ARG B 19 1.723 9.283 -4.448 1.00 63.51 H new ATOM 0 HH22 ARG B 19 2.317 9.738 -6.048 1.00 63.51 H new ATOM 876 N ILE B 20 -2.829 5.895 -0.716 1.00 43.23 N ATOM 877 CA ILE B 20 -2.638 4.604 -0.096 1.00 53.04 C ATOM 878 C ILE B 20 -3.501 4.567 1.159 1.00 44.21 C ATOM 879 O ILE B 20 -3.435 5.477 1.996 1.00 33.41 O ATOM 880 CB ILE B 20 -1.151 4.397 0.264 1.00 15.12 C ATOM 881 CG1 ILE B 20 -0.227 4.553 -0.969 1.00 40.12 C ATOM 882 CG2 ILE B 20 -0.990 3.004 0.901 1.00 41.20 C ATOM 883 CD1 ILE B 20 1.262 4.513 -0.608 1.00 5.13 C ATOM 0 H ILE B 20 -2.160 6.591 -0.388 1.00 43.23 H new ATOM 0 HA ILE B 20 -2.926 3.804 -0.779 1.00 53.04 H new ATOM 0 HB ILE B 20 -0.849 5.168 0.973 1.00 15.12 H new ATOM 0 HG12 ILE B 20 -0.444 3.758 -1.682 1.00 40.12 H new ATOM 0 HG13 ILE B 20 -0.450 5.497 -1.466 1.00 40.12 H new ATOM 0 HG21 ILE B 20 0.056 2.842 1.161 1.00 41.20 H new ATOM 0 HG22 ILE B 20 -1.602 2.943 1.801 1.00 41.20 H new ATOM 0 HG23 ILE B 20 -1.310 2.240 0.192 1.00 41.20 H new ATOM 0 HD11 ILE B 20 1.859 4.627 -1.513 1.00 5.13 H new ATOM 0 HD12 ILE B 20 1.491 5.325 0.083 1.00 5.13 H new ATOM 0 HD13 ILE B 20 1.497 3.559 -0.137 1.00 5.13 H new ATOM 894 N LEU B 21 -4.288 3.504 1.290 1.00 71.32 N ATOM 895 CA LEU B 21 -5.168 3.256 2.419 1.00 41.41 C ATOM 896 C LEU B 21 -4.752 1.937 3.055 1.00 74.40 C ATOM 897 O LEU B 21 -4.230 1.046 2.378 1.00 34.42 O ATOM 898 CB LEU B 21 -6.634 3.124 1.981 1.00 75.01 C ATOM 899 CG LEU B 21 -7.216 4.243 1.104 1.00 44.53 C ATOM 900 CD1 LEU B 21 -8.681 3.903 0.850 1.00 3.02 C ATOM 901 CD2 LEU B 21 -7.113 5.629 1.742 1.00 70.14 C ATOM 0 H LEU B 21 -4.330 2.767 0.586 1.00 71.32 H new ATOM 0 HA LEU B 21 -5.087 4.095 3.111 1.00 41.41 H new ATOM 0 HB2 LEU B 21 -6.740 2.183 1.440 1.00 75.01 H new ATOM 0 HB3 LEU B 21 -7.248 3.047 2.879 1.00 75.01 H new ATOM 0 HG LEU B 21 -6.638 4.294 0.181 1.00 44.53 H new ATOM 0 HD11 LEU B 21 -9.132 4.677 0.228 1.00 3.02 H new ATOM 0 HD12 LEU B 21 -8.748 2.942 0.339 1.00 3.02 H new ATOM 0 HD13 LEU B 21 -9.212 3.847 1.801 1.00 3.02 H new ATOM 0 HD21 LEU B 21 -7.542 6.372 1.070 1.00 70.14 H new ATOM 0 HD22 LEU B 21 -7.658 5.636 2.686 1.00 70.14 H new ATOM 0 HD23 LEU B 21 -6.066 5.868 1.925 1.00 70.14 H new ATOM 912 N TYR B 22 -5.029 1.797 4.345 1.00 3.33 N ATOM 913 CA TYR B 22 -4.763 0.633 5.165 1.00 42.24 C ATOM 914 C TYR B 22 -6.140 0.199 5.644 1.00 5.40 C ATOM 915 O TYR B 22 -6.829 0.968 6.321 1.00 72.44 O ATOM 916 CB TYR B 22 -3.812 0.970 6.320 1.00 1.14 C ATOM 917 CG TYR B 22 -3.444 -0.214 7.200 1.00 2.42 C ATOM 918 CD1 TYR B 22 -2.924 -1.386 6.622 1.00 24.42 C ATOM 919 CD2 TYR B 22 -3.551 -0.125 8.601 1.00 61.51 C ATOM 920 CE1 TYR B 22 -2.466 -2.439 7.427 1.00 43.01 C ATOM 921 CE2 TYR B 22 -3.120 -1.188 9.419 1.00 42.41 C ATOM 922 CZ TYR B 22 -2.552 -2.342 8.830 1.00 52.23 C ATOM 923 OH TYR B 22 -2.070 -3.369 9.582 1.00 33.10 O ATOM 0 H TYR B 22 -5.474 2.545 4.876 1.00 3.33 H new ATOM 0 HA TYR B 22 -4.256 -0.165 4.622 1.00 42.24 H new ATOM 0 HB2 TYR B 22 -2.898 1.398 5.908 1.00 1.14 H new ATOM 0 HB3 TYR B 22 -4.273 1.738 6.941 1.00 1.14 H new ATOM 0 HD1 TYR B 22 -2.877 -1.476 5.547 1.00 24.42 H new ATOM 0 HD2 TYR B 22 -3.966 0.764 9.052 1.00 61.51 H new ATOM 0 HE1 TYR B 22 -2.047 -3.324 6.972 1.00 43.01 H new ATOM 0 HE2 TYR B 22 -3.223 -1.122 10.492 1.00 42.41 H new ATOM 0 HH TYR B 22 -2.363 -4.222 9.198 1.00 33.10 H new ATOM 932 N ILE B 23 -6.600 -0.952 5.163 1.00 65.42 N ATOM 933 CA ILE B 23 -7.898 -1.508 5.516 1.00 51.21 C ATOM 934 C ILE B 23 -7.627 -2.508 6.634 1.00 44.43 C ATOM 935 O ILE B 23 -6.597 -3.188 6.631 1.00 0.11 O ATOM 936 CB ILE B 23 -8.594 -2.174 4.308 1.00 15.31 C ATOM 937 CG1 ILE B 23 -8.430 -1.416 2.973 1.00 62.45 C ATOM 938 CG2 ILE B 23 -10.092 -2.373 4.617 1.00 25.42 C ATOM 939 CD1 ILE B 23 -8.881 0.048 2.957 1.00 42.25 C ATOM 0 H ILE B 23 -6.073 -1.531 4.509 1.00 65.42 H new ATOM 0 HA ILE B 23 -8.585 -0.726 5.839 1.00 51.21 H new ATOM 0 HB ILE B 23 -8.093 -3.132 4.166 1.00 15.31 H new ATOM 0 HG12 ILE B 23 -7.379 -1.452 2.687 1.00 62.45 H new ATOM 0 HG13 ILE B 23 -8.987 -1.953 2.205 1.00 62.45 H new ATOM 0 HG21 ILE B 23 -10.580 -2.843 3.763 1.00 25.42 H new ATOM 0 HG22 ILE B 23 -10.201 -3.011 5.494 1.00 25.42 H new ATOM 0 HG23 ILE B 23 -10.555 -1.406 4.813 1.00 25.42 H new ATOM 0 HD11 ILE B 23 -8.715 0.469 1.965 1.00 42.25 H new ATOM 0 HD12 ILE B 23 -9.942 0.105 3.202 1.00 42.25 H new ATOM 0 HD13 ILE B 23 -8.308 0.613 3.692 1.00 42.25 H new ATOM 950 N ARG B 24 -8.560 -2.626 7.573 1.00 41.31 N ATOM 951 CA ARG B 24 -8.474 -3.504 8.731 1.00 1.01 C ATOM 952 C ARG B 24 -9.816 -4.197 8.935 1.00 53.44 C ATOM 953 O ARG B 24 -10.834 -3.743 8.403 1.00 63.31 O ATOM 954 CB ARG B 24 -8.034 -2.700 9.970 1.00 53.54 C ATOM 955 CG ARG B 24 -6.779 -1.819 9.780 1.00 45.20 C ATOM 956 CD ARG B 24 -6.574 -0.794 10.904 1.00 30.03 C ATOM 957 NE ARG B 24 -6.386 -1.451 12.202 1.00 75.12 N ATOM 958 CZ ARG B 24 -6.987 -1.163 13.358 1.00 14.13 C ATOM 959 NH1 ARG B 24 -7.690 -0.050 13.534 1.00 51.55 N ATOM 960 NH2 ARG B 24 -6.872 -2.045 14.342 1.00 11.34 N ATOM 0 H ARG B 24 -9.429 -2.092 7.546 1.00 41.31 H new ATOM 0 HA ARG B 24 -7.721 -4.275 8.567 1.00 1.01 H new ATOM 0 HB2 ARG B 24 -8.861 -2.061 10.280 1.00 53.54 H new ATOM 0 HB3 ARG B 24 -7.847 -3.397 10.786 1.00 53.54 H new ATOM 0 HG2 ARG B 24 -5.900 -2.461 9.720 1.00 45.20 H new ATOM 0 HG3 ARG B 24 -6.855 -1.293 8.829 1.00 45.20 H new ATOM 0 HD2 ARG B 24 -5.706 -0.175 10.679 1.00 30.03 H new ATOM 0 HD3 ARG B 24 -7.436 -0.129 10.953 1.00 30.03 H new ATOM 0 HE ARG B 24 -5.716 -2.220 12.223 1.00 75.12 H new ATOM 0 HH11 ARG B 24 -7.785 0.619 12.770 1.00 51.55 H new ATOM 0 HH12 ARG B 24 -8.135 0.135 14.433 1.00 51.55 H new ATOM 0 HH21 ARG B 24 -6.340 -2.903 14.198 1.00 11.34 H new ATOM 0 HH22 ARG B 24 -7.316 -1.865 15.243 1.00 11.34 H new ATOM 971 N ASN B 25 -9.807 -5.274 9.721 1.00 64.00 N ATOM 972 CA ASN B 25 -10.947 -6.136 10.053 1.00 62.13 C ATOM 973 C ASN B 25 -11.498 -6.826 8.802 1.00 42.45 C ATOM 974 O ASN B 25 -12.710 -6.995 8.639 1.00 64.21 O ATOM 975 CB ASN B 25 -12.042 -5.418 10.860 1.00 33.31 C ATOM 976 CG ASN B 25 -13.023 -6.396 11.517 1.00 22.11 C ATOM 977 OD1 ASN B 25 -12.837 -7.613 11.559 1.00 12.42 O ATOM 978 ND2 ASN B 25 -14.121 -5.882 12.047 1.00 14.44 N ATOM 0 H ASN B 25 -8.949 -5.590 10.173 1.00 64.00 H new ATOM 0 HA ASN B 25 -10.568 -6.911 10.719 1.00 62.13 H new ATOM 0 HB2 ASN B 25 -11.577 -4.803 11.630 1.00 33.31 H new ATOM 0 HB3 ASN B 25 -12.591 -4.744 10.202 1.00 33.31 H new ATOM 0 HD21 ASN B 25 -14.809 -6.493 12.488 1.00 14.44 H new ATOM 0 HD22 ASN B 25 -14.280 -4.875 12.015 1.00 14.44 H new ATOM 984 N LEU B 26 -10.616 -7.152 7.857 1.00 72.24 N ATOM 985 CA LEU B 26 -10.989 -7.827 6.622 1.00 4.53 C ATOM 986 C LEU B 26 -11.302 -9.293 6.930 1.00 21.41 C ATOM 987 O LEU B 26 -10.832 -9.823 7.944 1.00 50.20 O ATOM 988 CB LEU B 26 -9.826 -7.750 5.616 1.00 32.14 C ATOM 989 CG LEU B 26 -9.675 -6.371 4.959 1.00 64.52 C ATOM 990 CD1 LEU B 26 -8.378 -6.359 4.155 1.00 54.31 C ATOM 991 CD2 LEU B 26 -10.826 -6.036 4.002 1.00 74.14 C ATOM 0 H LEU B 26 -9.618 -6.953 7.931 1.00 72.24 H new ATOM 0 HA LEU B 26 -11.866 -7.344 6.191 1.00 4.53 H new ATOM 0 HB2 LEU B 26 -8.897 -8.004 6.127 1.00 32.14 H new ATOM 0 HB3 LEU B 26 -9.978 -8.499 4.839 1.00 32.14 H new ATOM 0 HG LEU B 26 -9.676 -5.629 5.757 1.00 64.52 H new ATOM 0 HD11 LEU B 26 -8.253 -5.386 3.680 1.00 54.31 H new ATOM 0 HD12 LEU B 26 -7.536 -6.549 4.820 1.00 54.31 H new ATOM 0 HD13 LEU B 26 -8.417 -7.134 3.389 1.00 54.31 H new ATOM 0 HD21 LEU B 26 -10.663 -5.049 3.569 1.00 74.14 H new ATOM 0 HD22 LEU B 26 -10.866 -6.780 3.206 1.00 74.14 H new ATOM 0 HD23 LEU B 26 -11.768 -6.041 4.550 1.00 74.14 H new ATOM 1002 N PRO B 27 -12.063 -9.980 6.065 1.00 72.15 N ATOM 1003 CA PRO B 27 -12.386 -11.384 6.272 1.00 42.20 C ATOM 1004 C PRO B 27 -11.119 -12.228 6.116 1.00 34.52 C ATOM 1005 O PRO B 27 -10.163 -11.851 5.432 1.00 61.04 O ATOM 1006 CB PRO B 27 -13.438 -11.725 5.214 1.00 70.35 C ATOM 1007 CG PRO B 27 -13.150 -10.728 4.098 1.00 51.13 C ATOM 1008 CD PRO B 27 -12.685 -9.485 4.846 1.00 64.01 C ATOM 0 HA PRO B 27 -12.773 -11.587 7.271 1.00 42.20 H new ATOM 0 HB2 PRO B 27 -13.342 -12.754 4.868 1.00 70.35 H new ATOM 0 HB3 PRO B 27 -14.450 -11.612 5.602 1.00 70.35 H new ATOM 0 HG2 PRO B 27 -12.383 -11.098 3.417 1.00 51.13 H new ATOM 0 HG3 PRO B 27 -14.038 -10.528 3.499 1.00 51.13 H new ATOM 0 HD2 PRO B 27 -11.978 -8.909 4.250 1.00 64.01 H new ATOM 0 HD3 PRO B 27 -13.523 -8.825 5.072 1.00 64.01 H new ATOM 1013 N TYR B 28 -11.115 -13.413 6.727 1.00 1.23 N ATOM 1014 CA TYR B 28 -9.965 -14.311 6.660 1.00 52.35 C ATOM 1015 C TYR B 28 -9.859 -15.005 5.303 1.00 3.21 C ATOM 1016 O TYR B 28 -8.760 -15.387 4.900 1.00 52.54 O ATOM 1017 CB TYR B 28 -10.031 -15.326 7.801 1.00 13.15 C ATOM 1018 CG TYR B 28 -10.077 -14.654 9.156 1.00 35.04 C ATOM 1019 CD1 TYR B 28 -8.937 -13.976 9.632 1.00 51.23 C ATOM 1020 CD2 TYR B 28 -11.278 -14.622 9.891 1.00 11.00 C ATOM 1021 CE1 TYR B 28 -8.988 -13.281 10.848 1.00 12.14 C ATOM 1022 CE2 TYR B 28 -11.336 -13.923 11.109 1.00 13.34 C ATOM 1023 CZ TYR B 28 -10.185 -13.259 11.595 1.00 70.44 C ATOM 1024 OH TYR B 28 -10.203 -12.614 12.789 1.00 70.10 O ATOM 0 H TYR B 28 -11.897 -13.772 7.274 1.00 1.23 H new ATOM 0 HA TYR B 28 -9.061 -13.713 6.774 1.00 52.35 H new ATOM 0 HB2 TYR B 28 -10.914 -15.953 7.677 1.00 13.15 H new ATOM 0 HB3 TYR B 28 -9.163 -15.984 7.752 1.00 13.15 H new ATOM 0 HD1 TYR B 28 -8.022 -13.992 9.058 1.00 51.23 H new ATOM 0 HD2 TYR B 28 -12.153 -15.134 9.519 1.00 11.00 H new ATOM 0 HE1 TYR B 28 -8.113 -12.763 11.213 1.00 12.14 H new ATOM 0 HE2 TYR B 28 -12.257 -13.893 11.673 1.00 13.34 H new ATOM 0 HH TYR B 28 -11.097 -12.684 13.185 1.00 70.10 H new ATOM 1033 N LYS B 29 -10.966 -15.171 4.581 1.00 23.23 N ATOM 1034 CA LYS B 29 -10.999 -15.806 3.272 1.00 13.13 C ATOM 1035 C LYS B 29 -11.755 -14.882 2.344 1.00 11.40 C ATOM 1036 O LYS B 29 -12.855 -14.451 2.697 1.00 74.43 O ATOM 1037 CB LYS B 29 -11.713 -17.156 3.343 1.00 30.15 C ATOM 1038 CG LYS B 29 -10.913 -18.225 4.093 1.00 14.32 C ATOM 1039 CD LYS B 29 -11.508 -19.631 3.920 1.00 20.30 C ATOM 1040 CE LYS B 29 -12.773 -19.882 4.746 1.00 11.03 C ATOM 1041 NZ LYS B 29 -13.997 -19.257 4.202 1.00 34.32 N ATOM 0 H LYS B 29 -11.883 -14.860 4.900 1.00 23.23 H new ATOM 0 HA LYS B 29 -9.984 -15.983 2.915 1.00 13.13 H new ATOM 0 HB2 LYS B 29 -12.678 -17.024 3.833 1.00 30.15 H new ATOM 0 HB3 LYS B 29 -11.915 -17.506 2.331 1.00 30.15 H new ATOM 0 HG2 LYS B 29 -9.884 -18.223 3.735 1.00 14.32 H new ATOM 0 HG3 LYS B 29 -10.882 -17.974 5.153 1.00 14.32 H new ATOM 0 HD2 LYS B 29 -11.738 -19.789 2.866 1.00 20.30 H new ATOM 0 HD3 LYS B 29 -10.755 -20.369 4.196 1.00 20.30 H new ATOM 0 HE2 LYS B 29 -12.933 -20.957 4.823 1.00 11.03 H new ATOM 0 HE3 LYS B 29 -12.610 -19.511 5.758 1.00 11.03 H new ATOM 0 HZ1 LYS B 29 -14.811 -19.882 4.371 1.00 34.32 H new ATOM 0 HZ2 LYS B 29 -14.159 -18.344 4.672 1.00 34.32 H new ATOM 0 HZ3 LYS B 29 -13.884 -19.105 3.179 1.00 34.32 H new ATOM 1051 N ILE B 30 -11.168 -14.558 1.199 1.00 10.32 N ATOM 1052 CA ILE B 30 -11.759 -13.702 0.184 1.00 5.53 C ATOM 1053 C ILE B 30 -11.074 -14.024 -1.148 1.00 4.21 C ATOM 1054 O ILE B 30 -10.065 -14.744 -1.171 1.00 2.31 O ATOM 1055 CB ILE B 30 -11.691 -12.225 0.641 1.00 63.32 C ATOM 1056 CG1 ILE B 30 -12.563 -11.313 -0.236 1.00 32.21 C ATOM 1057 CG2 ILE B 30 -10.251 -11.696 0.758 1.00 15.10 C ATOM 1058 CD1 ILE B 30 -13.063 -10.061 0.490 1.00 62.11 C ATOM 0 H ILE B 30 -10.239 -14.895 0.945 1.00 10.32 H new ATOM 0 HA ILE B 30 -12.823 -13.886 0.037 1.00 5.53 H new ATOM 0 HB ILE B 30 -12.105 -12.203 1.649 1.00 63.32 H new ATOM 0 HG12 ILE B 30 -11.990 -11.010 -1.113 1.00 32.21 H new ATOM 0 HG13 ILE B 30 -13.421 -11.881 -0.596 1.00 32.21 H new ATOM 0 HG21 ILE B 30 -10.271 -10.656 1.082 1.00 15.10 H new ATOM 0 HG22 ILE B 30 -9.702 -12.293 1.487 1.00 15.10 H new ATOM 0 HG23 ILE B 30 -9.758 -11.765 -0.212 1.00 15.10 H new ATOM 0 HD11 ILE B 30 -13.672 -9.465 -0.190 1.00 62.11 H new ATOM 0 HD12 ILE B 30 -13.663 -10.355 1.351 1.00 62.11 H new ATOM 0 HD13 ILE B 30 -12.211 -9.471 0.826 1.00 62.11 H new ATOM 1069 N THR B 31 -11.609 -13.501 -2.241 1.00 53.30 N ATOM 1070 CA THR B 31 -11.139 -13.677 -3.601 1.00 62.14 C ATOM 1071 C THR B 31 -10.936 -12.304 -4.238 1.00 33.12 C ATOM 1072 O THR B 31 -11.337 -11.276 -3.684 1.00 11.32 O ATOM 1073 CB THR B 31 -12.204 -14.487 -4.372 1.00 62.10 C ATOM 1074 OG1 THR B 31 -13.489 -13.947 -4.114 1.00 13.20 O ATOM 1075 CG2 THR B 31 -12.180 -15.960 -3.966 1.00 1.44 C ATOM 0 H THR B 31 -12.435 -12.905 -2.195 1.00 53.30 H new ATOM 0 HA THR B 31 -10.189 -14.212 -3.624 1.00 62.14 H new ATOM 0 HB THR B 31 -11.978 -14.421 -5.436 1.00 62.10 H new ATOM 0 HG1 THR B 31 -14.164 -14.460 -4.605 1.00 13.20 H new ATOM 0 HG21 THR B 31 -12.941 -16.504 -4.526 1.00 1.44 H new ATOM 0 HG22 THR B 31 -11.199 -16.381 -4.184 1.00 1.44 H new ATOM 0 HG23 THR B 31 -12.384 -16.047 -2.899 1.00 1.44 H new ATOM 1083 N ALA B 32 -10.295 -12.289 -5.406 1.00 64.22 N ATOM 1084 CA ALA B 32 -10.060 -11.067 -6.155 1.00 13.24 C ATOM 1085 C ALA B 32 -11.411 -10.466 -6.532 1.00 62.43 C ATOM 1086 O ALA B 32 -11.572 -9.256 -6.458 1.00 72.42 O ATOM 1087 CB ALA B 32 -9.238 -11.382 -7.403 1.00 21.23 C ATOM 0 H ALA B 32 -9.926 -13.127 -5.855 1.00 64.22 H new ATOM 0 HA ALA B 32 -9.502 -10.350 -5.553 1.00 13.24 H new ATOM 0 HB1 ALA B 32 -9.062 -10.464 -7.964 1.00 21.23 H new ATOM 0 HB2 ALA B 32 -8.282 -11.816 -7.109 1.00 21.23 H new ATOM 0 HB3 ALA B 32 -9.782 -12.091 -8.028 1.00 21.23 H new ATOM 1093 N GLU B 33 -12.376 -11.316 -6.890 1.00 22.13 N ATOM 1094 CA GLU B 33 -13.722 -10.933 -7.279 1.00 32.12 C ATOM 1095 C GLU B 33 -14.394 -10.070 -6.220 1.00 13.13 C ATOM 1096 O GLU B 33 -14.832 -8.965 -6.521 1.00 22.41 O ATOM 1097 CB GLU B 33 -14.554 -12.194 -7.542 1.00 0.10 C ATOM 1098 CG GLU B 33 -14.191 -12.798 -8.901 1.00 2.04 C ATOM 1099 CD GLU B 33 -15.218 -13.811 -9.382 1.00 45.21 C ATOM 1100 OE1 GLU B 33 -16.415 -13.444 -9.463 1.00 10.41 O ATOM 1101 OE2 GLU B 33 -14.828 -14.948 -9.729 1.00 44.25 O ATOM 0 H GLU B 33 -12.229 -12.325 -6.916 1.00 22.13 H new ATOM 0 HA GLU B 33 -13.656 -10.336 -8.189 1.00 32.12 H new ATOM 0 HB2 GLU B 33 -14.378 -12.925 -6.753 1.00 0.10 H new ATOM 0 HB3 GLU B 33 -15.616 -11.949 -7.518 1.00 0.10 H new ATOM 0 HG2 GLU B 33 -14.101 -11.999 -9.637 1.00 2.04 H new ATOM 0 HG3 GLU B 33 -13.216 -13.279 -8.832 1.00 2.04 H new ATOM 1106 N GLU B 34 -14.470 -10.546 -4.981 1.00 42.50 N ATOM 1107 CA GLU B 34 -15.106 -9.806 -3.898 1.00 11.13 C ATOM 1108 C GLU B 34 -14.429 -8.447 -3.674 1.00 62.14 C ATOM 1109 O GLU B 34 -15.102 -7.442 -3.438 1.00 22.51 O ATOM 1110 CB GLU B 34 -15.025 -10.662 -2.632 1.00 51.43 C ATOM 1111 CG GLU B 34 -15.870 -11.940 -2.700 1.00 33.10 C ATOM 1112 CD GLU B 34 -17.363 -11.648 -2.581 1.00 72.01 C ATOM 1113 OE1 GLU B 34 -17.828 -11.328 -1.460 1.00 73.32 O ATOM 1114 OE2 GLU B 34 -18.098 -11.797 -3.580 1.00 44.03 O ATOM 0 H GLU B 34 -14.094 -11.452 -4.701 1.00 42.50 H new ATOM 0 HA GLU B 34 -16.146 -9.603 -4.155 1.00 11.13 H new ATOM 0 HB2 GLU B 34 -13.985 -10.933 -2.453 1.00 51.43 H new ATOM 0 HB3 GLU B 34 -15.350 -10.066 -1.779 1.00 51.43 H new ATOM 0 HG2 GLU B 34 -15.675 -12.453 -3.642 1.00 33.10 H new ATOM 0 HG3 GLU B 34 -15.568 -12.616 -1.900 1.00 33.10 H new ATOM 1119 N MET B 35 -13.097 -8.404 -3.749 1.00 73.53 N ATOM 1120 CA MET B 35 -12.338 -7.176 -3.550 1.00 64.55 C ATOM 1121 C MET B 35 -12.554 -6.188 -4.699 1.00 44.03 C ATOM 1122 O MET B 35 -12.726 -4.996 -4.441 1.00 33.15 O ATOM 1123 CB MET B 35 -10.853 -7.509 -3.344 1.00 2.52 C ATOM 1124 CG MET B 35 -10.642 -8.288 -2.036 1.00 41.41 C ATOM 1125 SD MET B 35 -11.088 -7.400 -0.519 1.00 0.54 S ATOM 1126 CE MET B 35 -9.583 -6.439 -0.258 1.00 22.24 C ATOM 0 H MET B 35 -12.519 -9.220 -3.949 1.00 73.53 H new ATOM 0 HA MET B 35 -12.703 -6.681 -2.650 1.00 64.55 H new ATOM 0 HB2 MET B 35 -10.488 -8.098 -4.186 1.00 2.52 H new ATOM 0 HB3 MET B 35 -10.269 -6.589 -3.322 1.00 2.52 H new ATOM 0 HG2 MET B 35 -11.225 -9.208 -2.083 1.00 41.41 H new ATOM 0 HG3 MET B 35 -9.593 -8.579 -1.971 1.00 41.41 H new ATOM 0 HE1 MET B 35 -9.690 -5.832 0.641 1.00 22.24 H new ATOM 0 HE2 MET B 35 -8.736 -7.115 -0.141 1.00 22.24 H new ATOM 0 HE3 MET B 35 -9.413 -5.789 -1.116 1.00 22.24 H new ATOM 1134 N TYR B 36 -12.531 -6.656 -5.949 1.00 54.11 N ATOM 1135 CA TYR B 36 -12.728 -5.827 -7.134 1.00 62.25 C ATOM 1136 C TYR B 36 -14.197 -5.412 -7.277 1.00 33.35 C ATOM 1137 O TYR B 36 -14.477 -4.380 -7.886 1.00 1.40 O ATOM 1138 CB TYR B 36 -12.208 -6.550 -8.389 1.00 1.00 C ATOM 1139 CG TYR B 36 -10.728 -6.316 -8.663 1.00 73.33 C ATOM 1140 CD1 TYR B 36 -9.735 -6.850 -7.817 1.00 33.12 C ATOM 1141 CD2 TYR B 36 -10.338 -5.547 -9.774 1.00 42.52 C ATOM 1142 CE1 TYR B 36 -8.372 -6.612 -8.072 1.00 51.32 C ATOM 1143 CE2 TYR B 36 -8.981 -5.304 -10.039 1.00 33.45 C ATOM 1144 CZ TYR B 36 -7.988 -5.824 -9.182 1.00 64.01 C ATOM 1145 OH TYR B 36 -6.676 -5.571 -9.445 1.00 12.02 O ATOM 0 H TYR B 36 -12.372 -7.640 -6.167 1.00 54.11 H new ATOM 0 HA TYR B 36 -12.149 -4.911 -7.018 1.00 62.25 H new ATOM 0 HB2 TYR B 36 -12.383 -7.620 -8.279 1.00 1.00 H new ATOM 0 HB3 TYR B 36 -12.785 -6.219 -9.253 1.00 1.00 H new ATOM 0 HD1 TYR B 36 -10.023 -7.448 -6.965 1.00 33.12 H new ATOM 0 HD2 TYR B 36 -11.091 -5.139 -10.431 1.00 42.52 H new ATOM 0 HE1 TYR B 36 -7.619 -7.031 -7.420 1.00 51.32 H new ATOM 0 HE2 TYR B 36 -8.697 -4.718 -10.900 1.00 33.45 H new ATOM 0 HH TYR B 36 -6.605 -5.014 -10.248 1.00 12.02 H new ATOM 1154 N ASP B 37 -15.135 -6.156 -6.692 1.00 73.55 N ATOM 1155 CA ASP B 37 -16.565 -5.859 -6.733 1.00 1.25 C ATOM 1156 C ASP B 37 -16.840 -4.674 -5.813 1.00 13.35 C ATOM 1157 O ASP B 37 -17.290 -3.615 -6.253 1.00 11.14 O ATOM 1158 CB ASP B 37 -17.396 -7.067 -6.278 1.00 71.51 C ATOM 1159 CG ASP B 37 -18.870 -6.685 -6.154 1.00 42.23 C ATOM 1160 OD1 ASP B 37 -19.548 -6.579 -7.197 1.00 44.05 O ATOM 1161 OD2 ASP B 37 -19.391 -6.504 -5.025 1.00 51.24 O ATOM 0 H ASP B 37 -14.916 -7.001 -6.165 1.00 73.55 H new ATOM 0 HA ASP B 37 -16.849 -5.623 -7.759 1.00 1.25 H new ATOM 0 HB2 ASP B 37 -17.284 -7.883 -6.992 1.00 71.51 H new ATOM 0 HB3 ASP B 37 -17.026 -7.430 -5.319 1.00 71.51 H new ATOM 1165 N ILE B 38 -16.504 -4.851 -4.535 1.00 61.33 N ATOM 1166 CA ILE B 38 -16.687 -3.886 -3.468 1.00 11.11 C ATOM 1167 C ILE B 38 -15.916 -2.592 -3.758 1.00 13.11 C ATOM 1168 O ILE B 38 -16.526 -1.550 -3.999 1.00 74.25 O ATOM 1169 CB ILE B 38 -16.315 -4.575 -2.126 1.00 44.13 C ATOM 1170 CG1 ILE B 38 -17.339 -5.693 -1.805 1.00 65.02 C ATOM 1171 CG2 ILE B 38 -16.246 -3.595 -0.942 1.00 20.25 C ATOM 1172 CD1 ILE B 38 -16.912 -6.639 -0.680 1.00 20.54 C ATOM 0 H ILE B 38 -16.076 -5.717 -4.207 1.00 61.33 H new ATOM 0 HA ILE B 38 -17.727 -3.568 -3.395 1.00 11.11 H new ATOM 0 HB ILE B 38 -15.317 -4.994 -2.258 1.00 44.13 H new ATOM 0 HG12 ILE B 38 -18.289 -5.232 -1.534 1.00 65.02 H new ATOM 0 HG13 ILE B 38 -17.515 -6.278 -2.708 1.00 65.02 H new ATOM 0 HG21 ILE B 38 -15.982 -4.138 -0.035 1.00 20.25 H new ATOM 0 HG22 ILE B 38 -15.491 -2.835 -1.142 1.00 20.25 H new ATOM 0 HG23 ILE B 38 -17.216 -3.116 -0.809 1.00 20.25 H new ATOM 0 HD11 ILE B 38 -17.687 -7.389 -0.522 1.00 20.54 H new ATOM 0 HD12 ILE B 38 -15.979 -7.132 -0.954 1.00 20.54 H new ATOM 0 HD13 ILE B 38 -16.766 -6.070 0.238 1.00 20.54 H new ATOM 1183 N PHE B 39 -14.582 -2.644 -3.751 1.00 3.23 N ATOM 1184 CA PHE B 39 -13.766 -1.454 -3.970 1.00 54.13 C ATOM 1185 C PHE B 39 -13.897 -0.902 -5.396 1.00 1.22 C ATOM 1186 O PHE B 39 -13.841 0.314 -5.573 1.00 43.30 O ATOM 1187 CB PHE B 39 -12.299 -1.711 -3.585 1.00 73.35 C ATOM 1188 CG PHE B 39 -12.074 -1.994 -2.108 1.00 20.44 C ATOM 1189 CD1 PHE B 39 -12.463 -3.222 -1.530 1.00 4.22 C ATOM 1190 CD2 PHE B 39 -11.467 -1.015 -1.300 1.00 0.25 C ATOM 1191 CE1 PHE B 39 -12.271 -3.453 -0.158 1.00 14.54 C ATOM 1192 CE2 PHE B 39 -11.257 -1.254 0.069 1.00 32.21 C ATOM 1193 CZ PHE B 39 -11.670 -2.468 0.645 1.00 20.44 C ATOM 0 H PHE B 39 -14.047 -3.498 -3.596 1.00 3.23 H new ATOM 0 HA PHE B 39 -14.152 -0.677 -3.310 1.00 54.13 H new ATOM 0 HB2 PHE B 39 -11.927 -2.556 -4.164 1.00 73.35 H new ATOM 0 HB3 PHE B 39 -11.705 -0.843 -3.870 1.00 73.35 H new ATOM 0 HD1 PHE B 39 -12.911 -3.988 -2.146 1.00 4.22 H new ATOM 0 HD2 PHE B 39 -11.161 -0.075 -1.734 1.00 0.25 H new ATOM 0 HE1 PHE B 39 -12.585 -4.388 0.281 1.00 14.54 H new ATOM 0 HE2 PHE B 39 -10.777 -0.503 0.680 1.00 32.21 H new ATOM 0 HZ PHE B 39 -11.526 -2.643 1.701 1.00 20.44 H new ATOM 1202 N GLY B 40 -14.108 -1.728 -6.426 1.00 64.41 N ATOM 1203 CA GLY B 40 -14.217 -1.223 -7.800 1.00 23.01 C ATOM 1204 C GLY B 40 -15.396 -0.268 -7.982 1.00 4.34 C ATOM 1205 O GLY B 40 -15.324 0.680 -8.770 1.00 23.14 O ATOM 0 H GLY B 40 -14.206 -2.739 -6.337 1.00 64.41 H new ATOM 0 HA2 GLY B 40 -13.294 -0.710 -8.069 1.00 23.01 H new ATOM 0 HA3 GLY B 40 -14.326 -2.064 -8.485 1.00 23.01 H new ATOM 1209 N LYS B 41 -16.490 -0.477 -7.245 1.00 30.04 N ATOM 1210 CA LYS B 41 -17.651 0.399 -7.344 1.00 42.40 C ATOM 1211 C LYS B 41 -17.380 1.722 -6.620 1.00 70.41 C ATOM 1212 O LYS B 41 -18.057 2.716 -6.892 1.00 40.21 O ATOM 1213 CB LYS B 41 -18.878 -0.353 -6.816 1.00 41.02 C ATOM 1214 CG LYS B 41 -20.182 0.421 -7.066 1.00 52.15 C ATOM 1215 CD LYS B 41 -21.419 -0.484 -7.052 1.00 63.12 C ATOM 1216 CE LYS B 41 -21.506 -1.403 -5.829 1.00 44.25 C ATOM 1217 NZ LYS B 41 -21.749 -0.678 -4.565 1.00 33.45 N ATOM 0 H LYS B 41 -16.592 -1.242 -6.578 1.00 30.04 H new ATOM 0 HA LYS B 41 -17.854 0.666 -8.381 1.00 42.40 H new ATOM 0 HB2 LYS B 41 -18.939 -1.329 -7.297 1.00 41.02 H new ATOM 0 HB3 LYS B 41 -18.762 -0.531 -5.747 1.00 41.02 H new ATOM 0 HG2 LYS B 41 -20.293 1.193 -6.305 1.00 52.15 H new ATOM 0 HG3 LYS B 41 -20.119 0.929 -8.028 1.00 52.15 H new ATOM 0 HD2 LYS B 41 -22.313 0.139 -7.090 1.00 63.12 H new ATOM 0 HD3 LYS B 41 -21.419 -1.096 -7.954 1.00 63.12 H new ATOM 0 HE2 LYS B 41 -22.307 -2.126 -5.984 1.00 44.25 H new ATOM 0 HE3 LYS B 41 -20.578 -1.968 -5.742 1.00 44.25 H new ATOM 0 HZ1 LYS B 41 -21.797 -1.357 -3.779 1.00 33.45 H new ATOM 0 HZ2 LYS B 41 -20.973 -0.006 -4.395 1.00 33.45 H new ATOM 0 HZ3 LYS B 41 -22.648 -0.159 -4.630 1.00 33.45 H new ATOM 1227 N TYR B 42 -16.422 1.746 -5.689 1.00 42.52 N ATOM 1228 CA TYR B 42 -16.041 2.931 -4.932 1.00 54.21 C ATOM 1229 C TYR B 42 -15.071 3.802 -5.739 1.00 24.24 C ATOM 1230 O TYR B 42 -15.084 5.026 -5.586 1.00 2.12 O ATOM 1231 CB TYR B 42 -15.384 2.529 -3.602 1.00 54.53 C ATOM 1232 CG TYR B 42 -16.325 2.183 -2.461 1.00 11.23 C ATOM 1233 CD1 TYR B 42 -17.307 1.180 -2.581 1.00 23.40 C ATOM 1234 CD2 TYR B 42 -16.161 2.837 -1.230 1.00 1.32 C ATOM 1235 CE1 TYR B 42 -18.134 0.847 -1.490 1.00 33.13 C ATOM 1236 CE2 TYR B 42 -17.012 2.543 -0.152 1.00 3.13 C ATOM 1237 CZ TYR B 42 -18.005 1.551 -0.270 1.00 23.13 C ATOM 1238 OH TYR B 42 -18.779 1.266 0.810 1.00 74.21 O ATOM 0 H TYR B 42 -15.880 0.919 -5.438 1.00 42.52 H new ATOM 0 HA TYR B 42 -16.945 3.505 -4.728 1.00 54.21 H new ATOM 0 HB2 TYR B 42 -14.739 1.670 -3.786 1.00 54.53 H new ATOM 0 HB3 TYR B 42 -14.740 3.347 -3.278 1.00 54.53 H new ATOM 0 HD1 TYR B 42 -17.427 0.660 -3.520 1.00 23.40 H new ATOM 0 HD2 TYR B 42 -15.377 3.570 -1.111 1.00 1.32 H new ATOM 0 HE1 TYR B 42 -18.864 0.057 -1.585 1.00 33.13 H new ATOM 0 HE2 TYR B 42 -16.904 3.083 0.777 1.00 3.13 H new ATOM 0 HH TYR B 42 -19.344 0.490 0.612 1.00 74.21 H new ATOM 1247 N GLY B 43 -14.236 3.217 -6.601 1.00 43.51 N ATOM 1248 CA GLY B 43 -13.275 3.960 -7.405 1.00 20.40 C ATOM 1249 C GLY B 43 -12.307 3.028 -8.131 1.00 75.20 C ATOM 1250 O GLY B 43 -12.464 1.805 -8.053 1.00 4.22 O ATOM 0 H GLY B 43 -14.211 2.210 -6.758 1.00 43.51 H new ATOM 0 HA2 GLY B 43 -13.806 4.572 -8.134 1.00 20.40 H new ATOM 0 HA3 GLY B 43 -12.714 4.641 -6.765 1.00 20.40 H new ATOM 1254 N PRO B 44 -11.306 3.582 -8.833 1.00 51.22 N ATOM 1255 CA PRO B 44 -10.330 2.795 -9.577 1.00 73.40 C ATOM 1256 C PRO B 44 -9.448 1.986 -8.623 1.00 50.41 C ATOM 1257 O PRO B 44 -9.401 2.269 -7.419 1.00 14.03 O ATOM 1258 CB PRO B 44 -9.538 3.812 -10.400 1.00 73.44 C ATOM 1259 CG PRO B 44 -9.637 5.089 -9.578 1.00 30.11 C ATOM 1260 CD PRO B 44 -11.034 5.005 -8.967 1.00 55.34 C ATOM 0 HA PRO B 44 -10.795 2.055 -10.229 1.00 73.40 H new ATOM 0 HB2 PRO B 44 -8.502 3.500 -10.534 1.00 73.44 H new ATOM 0 HB3 PRO B 44 -9.963 3.941 -11.395 1.00 73.44 H new ATOM 0 HG2 PRO B 44 -8.864 5.135 -8.811 1.00 30.11 H new ATOM 0 HG3 PRO B 44 -9.522 5.977 -10.199 1.00 30.11 H new ATOM 0 HD2 PRO B 44 -11.072 5.506 -8.000 1.00 55.34 H new ATOM 0 HD3 PRO B 44 -11.773 5.489 -9.606 1.00 55.34 H new ATOM 1265 N ILE B 45 -8.711 1.005 -9.150 1.00 73.44 N ATOM 1266 CA ILE B 45 -7.842 0.134 -8.364 1.00 23.32 C ATOM 1267 C ILE B 45 -6.477 0.034 -9.033 1.00 4.12 C ATOM 1268 O ILE B 45 -6.353 -0.480 -10.145 1.00 41.15 O ATOM 1269 CB ILE B 45 -8.525 -1.244 -8.136 1.00 2.24 C ATOM 1270 CG1 ILE B 45 -9.760 -1.061 -7.221 1.00 63.43 C ATOM 1271 CG2 ILE B 45 -7.549 -2.255 -7.500 1.00 74.25 C ATOM 1272 CD1 ILE B 45 -10.656 -2.288 -7.044 1.00 13.42 C ATOM 0 H ILE B 45 -8.703 0.793 -10.148 1.00 73.44 H new ATOM 0 HA ILE B 45 -7.677 0.558 -7.373 1.00 23.32 H new ATOM 0 HB ILE B 45 -8.835 -1.638 -9.104 1.00 2.24 H new ATOM 0 HG12 ILE B 45 -9.414 -0.745 -6.237 1.00 63.43 H new ATOM 0 HG13 ILE B 45 -10.366 -0.249 -7.622 1.00 63.43 H new ATOM 0 HG21 ILE B 45 -8.057 -3.208 -7.353 1.00 74.25 H new ATOM 0 HG22 ILE B 45 -6.692 -2.398 -8.159 1.00 74.25 H new ATOM 0 HG23 ILE B 45 -7.207 -1.874 -6.538 1.00 74.25 H new ATOM 0 HD11 ILE B 45 -11.487 -2.040 -6.384 1.00 13.42 H new ATOM 0 HD12 ILE B 45 -11.044 -2.598 -8.014 1.00 13.42 H new ATOM 0 HD13 ILE B 45 -10.077 -3.102 -6.608 1.00 13.42 H new ATOM 1283 N ARG B 46 -5.449 0.570 -8.362 1.00 4.13 N ATOM 1284 CA ARG B 46 -4.069 0.525 -8.848 1.00 41.00 C ATOM 1285 C ARG B 46 -3.499 -0.844 -8.487 1.00 63.42 C ATOM 1286 O ARG B 46 -2.865 -1.494 -9.321 1.00 55.41 O ATOM 1287 CB ARG B 46 -3.252 1.671 -8.226 1.00 61.33 C ATOM 1288 CG ARG B 46 -1.770 1.711 -8.598 1.00 21.34 C ATOM 1289 CD ARG B 46 -1.523 1.896 -10.094 1.00 44.04 C ATOM 1290 NE ARG B 46 -0.098 2.154 -10.333 1.00 64.43 N ATOM 1291 CZ ARG B 46 0.518 3.333 -10.246 1.00 15.14 C ATOM 1292 NH1 ARG B 46 -0.177 4.457 -10.098 1.00 74.32 N ATOM 1293 NH2 ARG B 46 1.843 3.369 -10.273 1.00 3.41 N ATOM 0 H ARG B 46 -5.554 1.047 -7.466 1.00 4.13 H new ATOM 0 HA ARG B 46 -4.026 0.660 -9.929 1.00 41.00 H new ATOM 0 HB2 ARG B 46 -3.706 2.617 -8.520 1.00 61.33 H new ATOM 0 HB3 ARG B 46 -3.333 1.602 -7.141 1.00 61.33 H new ATOM 0 HG2 ARG B 46 -1.289 2.524 -8.055 1.00 21.34 H new ATOM 0 HG3 ARG B 46 -1.296 0.785 -8.271 1.00 21.34 H new ATOM 0 HD2 ARG B 46 -1.837 1.005 -10.637 1.00 44.04 H new ATOM 0 HD3 ARG B 46 -2.121 2.726 -10.471 1.00 44.04 H new ATOM 0 HE ARG B 46 0.478 1.352 -10.591 1.00 64.43 H new ATOM 0 HH11 ARG B 46 -1.195 4.424 -10.050 1.00 74.32 H new ATOM 0 HH12 ARG B 46 0.308 5.352 -10.033 1.00 74.32 H new ATOM 0 HH21 ARG B 46 2.375 2.503 -10.359 1.00 3.41 H new ATOM 0 HH22 ARG B 46 2.330 4.263 -10.208 1.00 3.41 H new ATOM 1304 N GLN B 47 -3.662 -1.260 -7.226 1.00 13.43 N ATOM 1305 CA GLN B 47 -3.208 -2.539 -6.692 1.00 53.43 C ATOM 1306 C GLN B 47 -3.832 -2.736 -5.303 1.00 12.43 C ATOM 1307 O GLN B 47 -4.317 -1.775 -4.690 1.00 12.11 O ATOM 1308 CB GLN B 47 -1.666 -2.577 -6.615 1.00 31.00 C ATOM 1309 CG GLN B 47 -1.113 -4.010 -6.559 1.00 74.12 C ATOM 1310 CD GLN B 47 0.353 -4.052 -6.975 1.00 74.54 C ATOM 1311 OE1 GLN B 47 0.683 -4.411 -8.104 1.00 12.10 O ATOM 1312 NE2 GLN B 47 1.261 -3.671 -6.094 1.00 4.43 N ATOM 0 H GLN B 47 -4.133 -0.688 -6.525 1.00 13.43 H new ATOM 0 HA GLN B 47 -3.522 -3.349 -7.350 1.00 53.43 H new ATOM 0 HB2 GLN B 47 -1.250 -2.064 -7.482 1.00 31.00 H new ATOM 0 HB3 GLN B 47 -1.336 -2.029 -5.732 1.00 31.00 H new ATOM 0 HG2 GLN B 47 -1.218 -4.404 -5.548 1.00 74.12 H new ATOM 0 HG3 GLN B 47 -1.698 -4.654 -7.215 1.00 74.12 H new ATOM 0 HE21 GLN B 47 0.974 -3.376 -5.161 1.00 4.43 H new ATOM 0 HE22 GLN B 47 2.249 -3.672 -6.347 1.00 4.43 H new ATOM 1319 N ILE B 48 -3.829 -3.984 -4.828 1.00 53.25 N ATOM 1320 CA ILE B 48 -4.337 -4.444 -3.539 1.00 2.24 C ATOM 1321 C ILE B 48 -3.397 -5.569 -3.091 1.00 33.45 C ATOM 1322 O ILE B 48 -2.971 -6.372 -3.921 1.00 30.22 O ATOM 1323 CB ILE B 48 -5.791 -4.983 -3.664 1.00 32.33 C ATOM 1324 CG1 ILE B 48 -6.772 -3.867 -4.085 1.00 53.45 C ATOM 1325 CG2 ILE B 48 -6.266 -5.625 -2.342 1.00 22.21 C ATOM 1326 CD1 ILE B 48 -8.180 -4.345 -4.451 1.00 64.43 C ATOM 0 H ILE B 48 -3.443 -4.753 -5.376 1.00 53.25 H new ATOM 0 HA ILE B 48 -4.365 -3.625 -2.821 1.00 2.24 H new ATOM 0 HB ILE B 48 -5.781 -5.748 -4.441 1.00 32.33 H new ATOM 0 HG12 ILE B 48 -6.850 -3.147 -3.271 1.00 53.45 H new ATOM 0 HG13 ILE B 48 -6.351 -3.338 -4.940 1.00 53.45 H new ATOM 0 HG21 ILE B 48 -7.285 -5.992 -2.461 1.00 22.21 H new ATOM 0 HG22 ILE B 48 -5.609 -6.456 -2.084 1.00 22.21 H new ATOM 0 HG23 ILE B 48 -6.239 -4.881 -1.546 1.00 22.21 H new ATOM 0 HD11 ILE B 48 -8.793 -3.489 -4.732 1.00 64.43 H new ATOM 0 HD12 ILE B 48 -8.122 -5.041 -5.288 1.00 64.43 H new ATOM 0 HD13 ILE B 48 -8.628 -4.846 -3.593 1.00 64.43 H new ATOM 1337 N ARG B 49 -3.058 -5.649 -1.801 1.00 42.24 N ATOM 1338 CA ARG B 49 -2.225 -6.703 -1.209 1.00 55.03 C ATOM 1339 C ARG B 49 -2.722 -6.881 0.215 1.00 25.24 C ATOM 1340 O ARG B 49 -2.774 -5.904 0.966 1.00 23.03 O ATOM 1341 CB ARG B 49 -0.692 -6.489 -1.245 1.00 63.34 C ATOM 1342 CG ARG B 49 -0.211 -5.073 -0.992 1.00 13.32 C ATOM 1343 CD ARG B 49 1.060 -5.016 -0.131 1.00 75.12 C ATOM 1344 NE ARG B 49 2.200 -5.649 -0.813 1.00 55.51 N ATOM 1345 CZ ARG B 49 3.498 -5.500 -0.535 1.00 34.14 C ATOM 1346 NH1 ARG B 49 3.894 -4.991 0.619 1.00 5.03 N ATOM 1347 NH2 ARG B 49 4.408 -5.858 -1.421 1.00 23.32 N ATOM 0 H ARG B 49 -3.366 -4.959 -1.116 1.00 42.24 H new ATOM 0 HA ARG B 49 -2.340 -7.594 -1.826 1.00 55.03 H new ATOM 0 HB2 ARG B 49 -0.236 -7.144 -0.503 1.00 63.34 H new ATOM 0 HB3 ARG B 49 -0.324 -6.808 -2.220 1.00 63.34 H new ATOM 0 HG2 ARG B 49 -0.018 -4.584 -1.947 1.00 13.32 H new ATOM 0 HG3 ARG B 49 -1.003 -4.509 -0.499 1.00 13.32 H new ATOM 0 HD2 ARG B 49 1.301 -3.978 0.096 1.00 75.12 H new ATOM 0 HD3 ARG B 49 0.880 -5.517 0.820 1.00 75.12 H new ATOM 0 HE ARG B 49 1.973 -6.273 -1.587 1.00 55.51 H new ATOM 0 HH11 ARG B 49 3.204 -4.705 1.314 1.00 5.03 H new ATOM 0 HH12 ARG B 49 4.889 -4.884 0.815 1.00 5.03 H new ATOM 0 HH21 ARG B 49 4.120 -6.249 -2.318 1.00 23.32 H new ATOM 0 HH22 ARG B 49 5.399 -5.744 -1.209 1.00 23.32 H new ATOM 1358 N VAL B 50 -3.149 -8.091 0.569 1.00 11.14 N ATOM 1359 CA VAL B 50 -3.666 -8.410 1.898 1.00 60.25 C ATOM 1360 C VAL B 50 -2.604 -9.163 2.694 1.00 5.15 C ATOM 1361 O VAL B 50 -1.603 -9.609 2.122 1.00 15.02 O ATOM 1362 CB VAL B 50 -5.014 -9.163 1.796 1.00 4.42 C ATOM 1363 CG1 VAL B 50 -5.977 -8.526 0.774 1.00 24.31 C ATOM 1364 CG2 VAL B 50 -4.842 -10.639 1.424 1.00 12.25 C ATOM 0 H VAL B 50 -3.146 -8.888 -0.067 1.00 11.14 H new ATOM 0 HA VAL B 50 -3.881 -7.492 2.445 1.00 60.25 H new ATOM 0 HB VAL B 50 -5.441 -9.087 2.796 1.00 4.42 H new ATOM 0 HG11 VAL B 50 -6.906 -9.096 0.745 1.00 24.31 H new ATOM 0 HG12 VAL B 50 -6.191 -7.498 1.067 1.00 24.31 H new ATOM 0 HG13 VAL B 50 -5.516 -8.533 -0.214 1.00 24.31 H new ATOM 0 HG21 VAL B 50 -5.820 -11.116 1.367 1.00 12.25 H new ATOM 0 HG22 VAL B 50 -4.344 -10.715 0.457 1.00 12.25 H new ATOM 0 HG23 VAL B 50 -4.239 -11.138 2.183 1.00 12.25 H new ATOM 1374 N GLY B 51 -2.804 -9.299 4.003 1.00 11.33 N ATOM 1375 CA GLY B 51 -1.873 -9.998 4.872 1.00 54.41 C ATOM 1376 C GLY B 51 -1.775 -11.471 4.483 1.00 25.01 C ATOM 1377 O GLY B 51 -2.794 -12.113 4.189 1.00 45.32 O ATOM 0 H GLY B 51 -3.620 -8.925 4.488 1.00 11.33 H new ATOM 0 HA2 GLY B 51 -0.889 -9.533 4.808 1.00 54.41 H new ATOM 0 HA3 GLY B 51 -2.200 -9.911 5.908 1.00 54.41 H new ATOM 1381 N ASN B 52 -0.550 -11.995 4.467 1.00 34.53 N ATOM 1382 CA ASN B 52 -0.196 -13.368 4.127 1.00 23.23 C ATOM 1383 C ASN B 52 0.210 -14.147 5.380 1.00 3.15 C ATOM 1384 O ASN B 52 -0.268 -15.271 5.584 1.00 45.05 O ATOM 1385 CB ASN B 52 0.945 -13.393 3.099 1.00 25.12 C ATOM 1386 CG ASN B 52 1.443 -14.815 2.887 1.00 62.30 C ATOM 1387 OD1 ASN B 52 2.376 -15.260 3.546 1.00 24.14 O ATOM 1388 ND2 ASN B 52 0.810 -15.565 2.005 1.00 23.43 N ATOM 0 H ASN B 52 0.269 -11.437 4.706 1.00 34.53 H new ATOM 0 HA ASN B 52 -1.073 -13.845 3.689 1.00 23.23 H new ATOM 0 HB2 ASN B 52 0.598 -12.978 2.152 1.00 25.12 H new ATOM 0 HB3 ASN B 52 1.765 -12.762 3.442 1.00 25.12 H new ATOM 0 HD21 ASN B 52 1.095 -16.534 1.862 1.00 23.43 H new ATOM 0 HD22 ASN B 52 0.036 -15.176 1.467 1.00 23.43 H new ATOM 1394 N THR B 53 1.108 -13.588 6.191 1.00 31.43 N ATOM 1395 CA THR B 53 1.573 -14.211 7.421 1.00 10.44 C ATOM 1396 C THR B 53 0.433 -14.190 8.460 1.00 22.15 C ATOM 1397 O THR B 53 -0.473 -13.358 8.372 1.00 4.04 O ATOM 1398 CB THR B 53 2.871 -13.510 7.881 1.00 61.24 C ATOM 1399 OG1 THR B 53 2.821 -12.111 7.678 1.00 2.41 O ATOM 1400 CG2 THR B 53 4.059 -14.025 7.065 1.00 32.21 C ATOM 0 H THR B 53 1.535 -12.680 6.007 1.00 31.43 H new ATOM 0 HA THR B 53 1.829 -15.260 7.273 1.00 10.44 H new ATOM 0 HB THR B 53 2.979 -13.727 8.944 1.00 61.24 H new ATOM 0 HG1 THR B 53 1.887 -11.814 7.674 1.00 2.41 H new ATOM 0 HG21 THR B 53 4.970 -13.526 7.395 1.00 32.21 H new ATOM 0 HG22 THR B 53 4.161 -15.101 7.210 1.00 32.21 H new ATOM 0 HG23 THR B 53 3.893 -13.815 6.008 1.00 32.21 H new ATOM 1408 N PRO B 54 0.454 -15.065 9.479 1.00 23.11 N ATOM 1409 CA PRO B 54 -0.578 -15.159 10.515 1.00 10.23 C ATOM 1410 C PRO B 54 -0.652 -13.963 11.483 1.00 13.14 C ATOM 1411 O PRO B 54 -1.292 -14.058 12.532 1.00 70.55 O ATOM 1412 CB PRO B 54 -0.313 -16.494 11.217 1.00 62.54 C ATOM 1413 CG PRO B 54 1.188 -16.698 11.047 1.00 4.43 C ATOM 1414 CD PRO B 54 1.466 -16.088 9.679 1.00 34.33 C ATOM 0 HA PRO B 54 -1.568 -15.122 10.061 1.00 10.23 H new ATOM 0 HB2 PRO B 54 -0.596 -16.457 12.269 1.00 62.54 H new ATOM 0 HB3 PRO B 54 -0.882 -17.305 10.763 1.00 62.54 H new ATOM 0 HG2 PRO B 54 1.754 -16.199 11.834 1.00 4.43 H new ATOM 0 HG3 PRO B 54 1.458 -17.754 11.080 1.00 4.43 H new ATOM 0 HD2 PRO B 54 2.467 -15.658 9.640 1.00 34.33 H new ATOM 0 HD3 PRO B 54 1.414 -16.845 8.897 1.00 34.33 H new ATOM 1419 N GLU B 55 -0.024 -12.840 11.154 1.00 73.14 N ATOM 1420 CA GLU B 55 0.021 -11.605 11.928 1.00 1.04 C ATOM 1421 C GLU B 55 -0.582 -10.465 11.103 1.00 42.52 C ATOM 1422 O GLU B 55 -1.442 -9.720 11.582 1.00 21.52 O ATOM 1423 CB GLU B 55 1.471 -11.368 12.367 1.00 32.25 C ATOM 1424 CG GLU B 55 2.468 -11.245 11.208 1.00 34.44 C ATOM 1425 CD GLU B 55 3.832 -11.796 11.598 1.00 22.41 C ATOM 1426 OE1 GLU B 55 4.629 -11.065 12.237 1.00 41.01 O ATOM 1427 OE2 GLU B 55 4.080 -12.994 11.337 1.00 63.34 O ATOM 0 H GLU B 55 0.501 -12.763 10.283 1.00 73.14 H new ATOM 0 HA GLU B 55 -0.582 -11.665 12.834 1.00 1.04 H new ATOM 0 HB2 GLU B 55 1.513 -10.458 12.966 1.00 32.25 H new ATOM 0 HB3 GLU B 55 1.782 -12.189 13.013 1.00 32.25 H new ATOM 0 HG2 GLU B 55 2.089 -11.784 10.340 1.00 34.44 H new ATOM 0 HG3 GLU B 55 2.565 -10.199 10.917 1.00 34.44 H new ATOM 1432 N THR B 56 -0.178 -10.343 9.837 1.00 31.13 N ATOM 1433 CA THR B 56 -0.670 -9.329 8.923 1.00 2.44 C ATOM 1434 C THR B 56 -2.105 -9.663 8.498 1.00 43.25 C ATOM 1435 O THR B 56 -2.899 -8.764 8.219 1.00 14.50 O ATOM 1436 CB THR B 56 0.272 -9.268 7.713 1.00 24.44 C ATOM 1437 OG1 THR B 56 0.368 -10.549 7.133 1.00 1.21 O ATOM 1438 CG2 THR B 56 1.687 -8.829 8.103 1.00 22.22 C ATOM 0 H THR B 56 0.515 -10.963 9.417 1.00 31.13 H new ATOM 0 HA THR B 56 -0.689 -8.353 9.408 1.00 2.44 H new ATOM 0 HB THR B 56 -0.144 -8.539 7.018 1.00 24.44 H new ATOM 0 HG1 THR B 56 1.035 -10.534 6.415 1.00 1.21 H new ATOM 0 HG21 THR B 56 2.317 -8.801 7.214 1.00 22.22 H new ATOM 0 HG22 THR B 56 1.649 -7.837 8.553 1.00 22.22 H new ATOM 0 HG23 THR B 56 2.103 -9.537 8.820 1.00 22.22 H new ATOM 1446 N ARG B 57 -2.455 -10.958 8.464 1.00 52.45 N ATOM 1447 CA ARG B 57 -3.776 -11.439 8.079 1.00 23.31 C ATOM 1448 C ARG B 57 -4.852 -10.695 8.851 1.00 73.21 C ATOM 1449 O ARG B 57 -4.845 -10.683 10.081 1.00 13.05 O ATOM 1450 CB ARG B 57 -3.876 -12.960 8.243 1.00 65.43 C ATOM 1451 CG ARG B 57 -3.314 -13.658 6.996 1.00 72.34 C ATOM 1452 CD ARG B 57 -3.124 -15.159 7.205 1.00 33.42 C ATOM 1453 NE ARG B 57 -4.397 -15.876 7.377 1.00 74.42 N ATOM 1454 CZ ARG B 57 -4.682 -16.749 8.348 1.00 20.22 C ATOM 1455 NH1 ARG B 57 -4.039 -16.706 9.509 1.00 12.22 N ATOM 1456 NH2 ARG B 57 -5.620 -17.667 8.153 1.00 73.41 N ATOM 0 H ARG B 57 -1.810 -11.709 8.709 1.00 52.45 H new ATOM 0 HA ARG B 57 -3.936 -11.232 7.021 1.00 23.31 H new ATOM 0 HB2 ARG B 57 -3.323 -13.276 9.128 1.00 65.43 H new ATOM 0 HB3 ARG B 57 -4.915 -13.251 8.396 1.00 65.43 H new ATOM 0 HG2 ARG B 57 -3.989 -13.493 6.156 1.00 72.34 H new ATOM 0 HG3 ARG B 57 -2.358 -13.207 6.730 1.00 72.34 H new ATOM 0 HD2 ARG B 57 -2.590 -15.575 6.351 1.00 33.42 H new ATOM 0 HD3 ARG B 57 -2.498 -15.323 8.083 1.00 33.42 H new ATOM 0 HE ARG B 57 -5.130 -15.690 6.692 1.00 74.42 H new ATOM 0 HH11 ARG B 57 -3.319 -16.001 9.667 1.00 12.22 H new ATOM 0 HH12 ARG B 57 -4.265 -17.378 10.243 1.00 12.22 H new ATOM 0 HH21 ARG B 57 -6.120 -17.704 7.265 1.00 73.41 H new ATOM 0 HH22 ARG B 57 -5.841 -18.335 8.891 1.00 73.41 H new ATOM 1467 N GLY B 58 -5.782 -10.097 8.113 1.00 72.35 N ATOM 1468 CA GLY B 58 -6.889 -9.317 8.646 1.00 42.41 C ATOM 1469 C GLY B 58 -6.774 -7.853 8.211 1.00 70.44 C ATOM 1470 O GLY B 58 -7.757 -7.115 8.322 1.00 60.13 O ATOM 0 H GLY B 58 -5.784 -10.145 7.094 1.00 72.35 H new ATOM 0 HA2 GLY B 58 -7.835 -9.732 8.298 1.00 42.41 H new ATOM 0 HA3 GLY B 58 -6.895 -9.380 9.734 1.00 42.41 H new ATOM 1474 N THR B 59 -5.625 -7.426 7.677 1.00 5.50 N ATOM 1475 CA THR B 59 -5.403 -6.067 7.204 1.00 41.53 C ATOM 1476 C THR B 59 -4.863 -6.126 5.767 1.00 21.42 C ATOM 1477 O THR B 59 -4.492 -7.196 5.265 1.00 32.10 O ATOM 1478 CB THR B 59 -4.521 -5.268 8.186 1.00 64.25 C ATOM 1479 OG1 THR B 59 -3.207 -5.770 8.221 1.00 54.13 O ATOM 1480 CG2 THR B 59 -5.048 -5.303 9.626 1.00 63.24 C ATOM 0 H THR B 59 -4.812 -8.031 7.562 1.00 5.50 H new ATOM 0 HA THR B 59 -6.342 -5.514 7.172 1.00 41.53 H new ATOM 0 HB THR B 59 -4.542 -4.244 7.813 1.00 64.25 H new ATOM 0 HG1 THR B 59 -3.231 -6.750 8.218 1.00 54.13 H new ATOM 0 HG21 THR B 59 -4.386 -4.724 10.270 1.00 63.24 H new ATOM 0 HG22 THR B 59 -6.050 -4.875 9.657 1.00 63.24 H new ATOM 0 HG23 THR B 59 -5.083 -6.335 9.976 1.00 63.24 H new ATOM 1488 N ALA B 60 -4.864 -4.995 5.059 1.00 50.22 N ATOM 1489 CA ALA B 60 -4.393 -4.906 3.684 1.00 74.25 C ATOM 1490 C ALA B 60 -4.109 -3.464 3.296 1.00 70.14 C ATOM 1491 O ALA B 60 -4.540 -2.536 3.979 1.00 40.11 O ATOM 1492 CB ALA B 60 -5.503 -5.408 2.758 1.00 20.15 C ATOM 0 H ALA B 60 -5.197 -4.106 5.433 1.00 50.22 H new ATOM 0 HA ALA B 60 -3.482 -5.497 3.595 1.00 74.25 H new ATOM 0 HB1 ALA B 60 -5.168 -5.349 1.723 1.00 20.15 H new ATOM 0 HB2 ALA B 60 -5.741 -6.443 3.003 1.00 20.15 H new ATOM 0 HB3 ALA B 60 -6.392 -4.791 2.887 1.00 20.15 H new ATOM 1498 N TYR B 61 -3.447 -3.286 2.156 1.00 61.43 N ATOM 1499 CA TYR B 61 -3.099 -1.989 1.603 1.00 62.12 C ATOM 1500 C TYR B 61 -3.744 -1.876 0.227 1.00 4.54 C ATOM 1501 O TYR B 61 -3.546 -2.750 -0.628 1.00 75.44 O ATOM 1502 CB TYR B 61 -1.579 -1.818 1.512 1.00 11.21 C ATOM 1503 CG TYR B 61 -0.871 -1.826 2.852 1.00 44.30 C ATOM 1504 CD1 TYR B 61 -0.949 -0.702 3.696 1.00 53.41 C ATOM 1505 CD2 TYR B 61 -0.151 -2.963 3.262 1.00 15.03 C ATOM 1506 CE1 TYR B 61 -0.312 -0.715 4.950 1.00 72.32 C ATOM 1507 CE2 TYR B 61 0.489 -2.978 4.512 1.00 51.13 C ATOM 1508 CZ TYR B 61 0.401 -1.861 5.368 1.00 14.42 C ATOM 1509 OH TYR B 61 0.978 -1.911 6.598 1.00 12.20 O ATOM 0 H TYR B 61 -3.131 -4.065 1.578 1.00 61.43 H new ATOM 0 HA TYR B 61 -3.468 -1.197 2.254 1.00 62.12 H new ATOM 0 HB2 TYR B 61 -1.171 -2.618 0.894 1.00 11.21 H new ATOM 0 HB3 TYR B 61 -1.360 -0.879 1.004 1.00 11.21 H new ATOM 0 HD1 TYR B 61 -1.499 0.172 3.380 1.00 53.41 H new ATOM 0 HD2 TYR B 61 -0.090 -3.825 2.615 1.00 15.03 H new ATOM 0 HE1 TYR B 61 -0.368 0.151 5.593 1.00 72.32 H new ATOM 0 HE2 TYR B 61 1.051 -3.848 4.819 1.00 51.13 H new ATOM 0 HH TYR B 61 1.213 -2.838 6.812 1.00 12.20 H new ATOM 1518 N VAL B 62 -4.544 -0.831 0.027 1.00 25.41 N ATOM 1519 CA VAL B 62 -5.236 -0.535 -1.222 1.00 24.14 C ATOM 1520 C VAL B 62 -4.564 0.730 -1.740 1.00 64.04 C ATOM 1521 O VAL B 62 -4.188 1.605 -0.950 1.00 20.12 O ATOM 1522 CB VAL B 62 -6.751 -0.370 -0.982 1.00 31.21 C ATOM 1523 CG1 VAL B 62 -7.532 -0.093 -2.275 1.00 55.32 C ATOM 1524 CG2 VAL B 62 -7.318 -1.647 -0.358 1.00 61.51 C ATOM 0 H VAL B 62 -4.734 -0.144 0.757 1.00 25.41 H new ATOM 0 HA VAL B 62 -5.164 -1.337 -1.956 1.00 24.14 H new ATOM 0 HB VAL B 62 -6.867 0.487 -0.318 1.00 31.21 H new ATOM 0 HG11 VAL B 62 -8.592 0.014 -2.044 1.00 55.32 H new ATOM 0 HG12 VAL B 62 -7.166 0.826 -2.732 1.00 55.32 H new ATOM 0 HG13 VAL B 62 -7.394 -0.923 -2.968 1.00 55.32 H new ATOM 0 HG21 VAL B 62 -8.388 -1.526 -0.190 1.00 61.51 H new ATOM 0 HG22 VAL B 62 -7.149 -2.487 -1.032 1.00 61.51 H new ATOM 0 HG23 VAL B 62 -6.821 -1.839 0.593 1.00 61.51 H new ATOM 1534 N VAL B 63 -4.383 0.822 -3.053 1.00 60.11 N ATOM 1535 CA VAL B 63 -3.751 1.959 -3.688 1.00 22.42 C ATOM 1536 C VAL B 63 -4.720 2.462 -4.751 1.00 22.04 C ATOM 1537 O VAL B 63 -5.113 1.714 -5.649 1.00 30.53 O ATOM 1538 CB VAL B 63 -2.365 1.545 -4.231 1.00 44.12 C ATOM 1539 CG1 VAL B 63 -1.636 2.754 -4.825 1.00 44.11 C ATOM 1540 CG2 VAL B 63 -1.464 0.950 -3.133 1.00 73.11 C ATOM 0 H VAL B 63 -4.676 0.098 -3.709 1.00 60.11 H new ATOM 0 HA VAL B 63 -3.552 2.778 -2.997 1.00 22.42 H new ATOM 0 HB VAL B 63 -2.550 0.789 -4.994 1.00 44.12 H new ATOM 0 HG11 VAL B 63 -0.662 2.442 -5.202 1.00 44.11 H new ATOM 0 HG12 VAL B 63 -2.226 3.169 -5.642 1.00 44.11 H new ATOM 0 HG13 VAL B 63 -1.501 3.512 -4.054 1.00 44.11 H new ATOM 0 HG21 VAL B 63 -0.501 0.674 -3.563 1.00 73.11 H new ATOM 0 HG22 VAL B 63 -1.312 1.689 -2.347 1.00 73.11 H new ATOM 0 HG23 VAL B 63 -1.940 0.065 -2.712 1.00 73.11 H new ATOM 1550 N TYR B 64 -5.090 3.737 -4.639 1.00 61.42 N ATOM 1551 CA TYR B 64 -5.997 4.414 -5.552 1.00 11.04 C ATOM 1552 C TYR B 64 -5.163 5.198 -6.573 1.00 20.21 C ATOM 1553 O TYR B 64 -3.945 5.380 -6.414 1.00 13.53 O ATOM 1554 CB TYR B 64 -6.935 5.325 -4.744 1.00 0.03 C ATOM 1555 CG TYR B 64 -8.152 4.615 -4.169 1.00 3.42 C ATOM 1556 CD1 TYR B 64 -8.058 3.854 -2.987 1.00 74.34 C ATOM 1557 CD2 TYR B 64 -9.383 4.680 -4.851 1.00 72.34 C ATOM 1558 CE1 TYR B 64 -9.174 3.125 -2.525 1.00 51.44 C ATOM 1559 CE2 TYR B 64 -10.505 3.984 -4.373 1.00 45.11 C ATOM 1560 CZ TYR B 64 -10.402 3.177 -3.223 1.00 12.40 C ATOM 1561 OH TYR B 64 -11.450 2.393 -2.837 1.00 24.54 O ATOM 0 H TYR B 64 -4.755 4.341 -3.888 1.00 61.42 H new ATOM 0 HA TYR B 64 -6.618 3.702 -6.096 1.00 11.04 H new ATOM 0 HB2 TYR B 64 -6.371 5.775 -3.927 1.00 0.03 H new ATOM 0 HB3 TYR B 64 -7.273 6.140 -5.385 1.00 0.03 H new ATOM 0 HD1 TYR B 64 -7.131 3.829 -2.434 1.00 74.34 H new ATOM 0 HD2 TYR B 64 -9.465 5.271 -5.751 1.00 72.34 H new ATOM 0 HE1 TYR B 64 -9.089 2.523 -1.632 1.00 51.44 H new ATOM 0 HE2 TYR B 64 -11.450 4.068 -4.889 1.00 45.11 H new ATOM 0 HH TYR B 64 -12.216 2.557 -3.426 1.00 24.54 H new ATOM 1570 N GLU B 65 -5.811 5.641 -7.652 1.00 35.05 N ATOM 1571 CA GLU B 65 -5.166 6.391 -8.722 1.00 52.15 C ATOM 1572 C GLU B 65 -5.281 7.890 -8.444 1.00 55.33 C ATOM 1573 O GLU B 65 -4.271 8.592 -8.350 1.00 4.24 O ATOM 1574 CB GLU B 65 -5.748 6.007 -10.093 1.00 71.30 C ATOM 1575 CG GLU B 65 -5.616 4.503 -10.382 1.00 75.23 C ATOM 1576 CD GLU B 65 -5.709 4.208 -11.878 1.00 74.23 C ATOM 1577 OE1 GLU B 65 -6.787 4.374 -12.498 1.00 21.11 O ATOM 1578 OE2 GLU B 65 -4.643 3.898 -12.456 1.00 31.30 O ATOM 0 H GLU B 65 -6.807 5.486 -7.805 1.00 35.05 H new ATOM 0 HA GLU B 65 -4.107 6.136 -8.751 1.00 52.15 H new ATOM 0 HB2 GLU B 65 -6.800 6.291 -10.131 1.00 71.30 H new ATOM 0 HB3 GLU B 65 -5.237 6.571 -10.873 1.00 71.30 H new ATOM 0 HG2 GLU B 65 -4.663 4.140 -9.998 1.00 75.23 H new ATOM 0 HG3 GLU B 65 -6.400 3.960 -9.854 1.00 75.23 H new ATOM 1583 N ASP B 66 -6.510 8.390 -8.336 1.00 41.20 N ATOM 1584 CA ASP B 66 -6.850 9.780 -8.061 1.00 40.41 C ATOM 1585 C ASP B 66 -6.994 9.920 -6.560 1.00 12.33 C ATOM 1586 O ASP B 66 -7.879 9.289 -5.975 1.00 31.14 O ATOM 1587 CB ASP B 66 -8.194 10.174 -8.698 1.00 11.41 C ATOM 1588 CG ASP B 66 -8.055 10.881 -10.031 1.00 73.44 C ATOM 1589 OD1 ASP B 66 -7.203 11.783 -10.129 1.00 32.30 O ATOM 1590 OD2 ASP B 66 -8.829 10.521 -10.954 1.00 61.01 O ATOM 0 H ASP B 66 -7.338 7.804 -8.444 1.00 41.20 H new ATOM 0 HA ASP B 66 -6.071 10.422 -8.473 1.00 40.41 H new ATOM 0 HB2 ASP B 66 -8.798 9.277 -8.834 1.00 11.41 H new ATOM 0 HB3 ASP B 66 -8.736 10.821 -8.009 1.00 11.41 H new ATOM 1594 N ILE B 67 -6.152 10.743 -5.930 1.00 61.04 N ATOM 1595 CA ILE B 67 -6.227 10.949 -4.486 1.00 24.11 C ATOM 1596 C ILE B 67 -7.600 11.501 -4.085 1.00 43.54 C ATOM 1597 O ILE B 67 -8.121 11.118 -3.047 1.00 21.43 O ATOM 1598 CB ILE B 67 -5.052 11.826 -4.002 1.00 70.11 C ATOM 1599 CG1 ILE B 67 -4.979 11.814 -2.458 1.00 4.32 C ATOM 1600 CG2 ILE B 67 -5.103 13.255 -4.567 1.00 30.22 C ATOM 1601 CD1 ILE B 67 -3.631 12.300 -1.912 1.00 32.42 C ATOM 0 H ILE B 67 -5.416 11.273 -6.396 1.00 61.04 H new ATOM 0 HA ILE B 67 -6.125 9.988 -3.981 1.00 24.11 H new ATOM 0 HB ILE B 67 -4.133 11.391 -4.393 1.00 70.11 H new ATOM 0 HG12 ILE B 67 -5.774 12.444 -2.058 1.00 4.32 H new ATOM 0 HG13 ILE B 67 -5.165 10.801 -2.100 1.00 4.32 H new ATOM 0 HG21 ILE B 67 -4.253 13.825 -4.193 1.00 30.22 H new ATOM 0 HG22 ILE B 67 -5.064 13.217 -5.656 1.00 30.22 H new ATOM 0 HG23 ILE B 67 -6.029 13.737 -4.254 1.00 30.22 H new ATOM 0 HD11 ILE B 67 -3.646 12.267 -0.823 1.00 32.42 H new ATOM 0 HD12 ILE B 67 -2.834 11.656 -2.284 1.00 32.42 H new ATOM 0 HD13 ILE B 67 -3.453 13.324 -2.241 1.00 32.42 H new ATOM 1612 N PHE B 68 -8.207 12.356 -4.916 1.00 22.41 N ATOM 1613 CA PHE B 68 -9.511 12.957 -4.656 1.00 31.51 C ATOM 1614 C PHE B 68 -10.574 11.867 -4.524 1.00 70.25 C ATOM 1615 O PHE B 68 -11.316 11.836 -3.544 1.00 1.44 O ATOM 1616 CB PHE B 68 -9.851 13.964 -5.764 1.00 73.43 C ATOM 1617 CG PHE B 68 -8.733 14.927 -6.120 1.00 60.01 C ATOM 1618 CD1 PHE B 68 -7.953 15.537 -5.116 1.00 1.34 C ATOM 1619 CD2 PHE B 68 -8.465 15.204 -7.474 1.00 22.22 C ATOM 1620 CE1 PHE B 68 -6.898 16.395 -5.471 1.00 12.32 C ATOM 1621 CE2 PHE B 68 -7.440 16.099 -7.821 1.00 4.11 C ATOM 1622 CZ PHE B 68 -6.643 16.683 -6.822 1.00 61.14 C ATOM 0 H PHE B 68 -7.795 12.652 -5.801 1.00 22.41 H new ATOM 0 HA PHE B 68 -9.484 13.501 -3.712 1.00 31.51 H new ATOM 0 HB2 PHE B 68 -10.135 13.413 -6.661 1.00 73.43 H new ATOM 0 HB3 PHE B 68 -10.723 14.541 -5.455 1.00 73.43 H new ATOM 0 HD1 PHE B 68 -8.166 15.345 -4.075 1.00 1.34 H new ATOM 0 HD2 PHE B 68 -9.049 14.727 -8.247 1.00 22.22 H new ATOM 0 HE1 PHE B 68 -6.281 16.835 -4.702 1.00 12.32 H new ATOM 0 HE2 PHE B 68 -7.264 16.339 -8.859 1.00 4.11 H new ATOM 0 HZ PHE B 68 -5.838 17.350 -7.092 1.00 61.14 H new ATOM 1631 N ASP B 69 -10.621 10.952 -5.497 1.00 53.31 N ATOM 1632 CA ASP B 69 -11.585 9.854 -5.487 1.00 2.21 C ATOM 1633 C ASP B 69 -11.293 8.926 -4.303 1.00 3.11 C ATOM 1634 O ASP B 69 -12.218 8.355 -3.731 1.00 33.12 O ATOM 1635 CB ASP B 69 -11.565 9.113 -6.835 1.00 51.30 C ATOM 1636 CG ASP B 69 -12.959 8.856 -7.413 1.00 1.14 C ATOM 1637 OD1 ASP B 69 -13.836 9.752 -7.355 1.00 41.33 O ATOM 1638 OD2 ASP B 69 -13.147 7.794 -8.043 1.00 74.50 O ATOM 0 H ASP B 69 -9.998 10.953 -6.305 1.00 53.31 H new ATOM 0 HA ASP B 69 -12.594 10.246 -5.358 1.00 2.21 H new ATOM 0 HB2 ASP B 69 -10.985 9.695 -7.552 1.00 51.30 H new ATOM 0 HB3 ASP B 69 -11.052 8.160 -6.709 1.00 51.30 H new ATOM 1642 N ALA B 70 -10.013 8.793 -3.919 1.00 11.42 N ATOM 1643 CA ALA B 70 -9.590 7.972 -2.789 1.00 64.03 C ATOM 1644 C ALA B 70 -10.159 8.573 -1.501 1.00 23.03 C ATOM 1645 O ALA B 70 -10.586 7.831 -0.620 1.00 1.43 O ATOM 1646 CB ALA B 70 -8.060 7.886 -2.707 1.00 72.22 C ATOM 0 H ALA B 70 -9.240 9.260 -4.394 1.00 11.42 H new ATOM 0 HA ALA B 70 -9.968 6.959 -2.925 1.00 64.03 H new ATOM 0 HB1 ALA B 70 -7.775 7.268 -1.855 1.00 72.22 H new ATOM 0 HB2 ALA B 70 -7.671 7.442 -3.623 1.00 72.22 H new ATOM 0 HB3 ALA B 70 -7.645 8.887 -2.584 1.00 72.22 H new ATOM 1652 N LYS B 71 -10.176 9.910 -1.381 1.00 43.12 N ATOM 1653 CA LYS B 71 -10.715 10.596 -0.206 1.00 43.22 C ATOM 1654 C LYS B 71 -12.182 10.216 -0.066 1.00 31.23 C ATOM 1655 O LYS B 71 -12.633 9.870 1.026 1.00 55.13 O ATOM 1656 CB LYS B 71 -10.601 12.130 -0.316 1.00 43.45 C ATOM 1657 CG LYS B 71 -9.178 12.644 -0.591 1.00 2.05 C ATOM 1658 CD LYS B 71 -8.792 13.850 0.269 1.00 21.25 C ATOM 1659 CE LYS B 71 -9.346 15.154 -0.293 1.00 52.55 C ATOM 1660 NZ LYS B 71 -9.246 16.246 0.695 1.00 54.23 N ATOM 0 H LYS B 71 -9.816 10.541 -2.097 1.00 43.12 H new ATOM 0 HA LYS B 71 -10.135 10.289 0.664 1.00 43.22 H new ATOM 0 HB2 LYS B 71 -11.259 12.475 -1.114 1.00 43.45 H new ATOM 0 HB3 LYS B 71 -10.963 12.576 0.610 1.00 43.45 H new ATOM 0 HG2 LYS B 71 -8.467 11.837 -0.413 1.00 2.05 H new ATOM 0 HG3 LYS B 71 -9.094 12.916 -1.643 1.00 2.05 H new ATOM 0 HD2 LYS B 71 -9.164 13.706 1.283 1.00 21.25 H new ATOM 0 HD3 LYS B 71 -7.706 13.916 0.334 1.00 21.25 H new ATOM 0 HE2 LYS B 71 -8.799 15.426 -1.196 1.00 52.55 H new ATOM 0 HE3 LYS B 71 -10.388 15.015 -0.581 1.00 52.55 H new ATOM 0 HZ1 LYS B 71 -9.630 17.121 0.285 1.00 54.23 H new ATOM 0 HZ2 LYS B 71 -9.788 15.995 1.546 1.00 54.23 H new ATOM 0 HZ3 LYS B 71 -8.249 16.392 0.951 1.00 54.23 H new ATOM 1670 N ASN B 72 -12.909 10.275 -1.187 1.00 14.11 N ATOM 1671 CA ASN B 72 -14.320 9.941 -1.221 1.00 74.04 C ATOM 1672 C ASN B 72 -14.525 8.500 -0.780 1.00 62.52 C ATOM 1673 O ASN B 72 -15.284 8.259 0.159 1.00 41.22 O ATOM 1674 CB ASN B 72 -14.937 10.189 -2.599 1.00 44.53 C ATOM 1675 CG ASN B 72 -16.436 10.362 -2.421 1.00 12.42 C ATOM 1676 OD1 ASN B 72 -17.171 9.410 -2.175 1.00 22.00 O ATOM 1677 ND2 ASN B 72 -16.912 11.592 -2.414 1.00 3.20 N ATOM 0 H ASN B 72 -12.528 10.556 -2.090 1.00 14.11 H new ATOM 0 HA ASN B 72 -14.836 10.600 -0.523 1.00 74.04 H new ATOM 0 HB2 ASN B 72 -14.503 11.078 -3.056 1.00 44.53 H new ATOM 0 HB3 ASN B 72 -14.727 9.353 -3.266 1.00 44.53 H new ATOM 0 HD21 ASN B 72 -17.896 11.757 -2.203 1.00 3.20 H new ATOM 0 HD22 ASN B 72 -16.296 12.378 -2.619 1.00 3.20 H new ATOM 1683 N ALA B 73 -13.812 7.557 -1.404 1.00 34.14 N ATOM 1684 CA ALA B 73 -13.921 6.147 -1.065 1.00 43.24 C ATOM 1685 C ALA B 73 -13.560 5.888 0.395 1.00 52.40 C ATOM 1686 O ALA B 73 -14.191 5.039 1.015 1.00 5.24 O ATOM 1687 CB ALA B 73 -13.021 5.292 -1.957 1.00 63.01 C ATOM 0 H ALA B 73 -13.149 7.755 -2.153 1.00 34.14 H new ATOM 0 HA ALA B 73 -14.962 5.869 -1.227 1.00 43.24 H new ATOM 0 HB1 ALA B 73 -13.124 4.243 -1.679 1.00 63.01 H new ATOM 0 HB2 ALA B 73 -13.312 5.422 -2.999 1.00 63.01 H new ATOM 0 HB3 ALA B 73 -11.983 5.600 -1.829 1.00 63.01 H new ATOM 1693 N CYS B 74 -12.557 6.579 0.947 1.00 1.12 N ATOM 1694 CA CYS B 74 -12.139 6.413 2.328 1.00 4.52 C ATOM 1695 C CYS B 74 -13.294 6.795 3.245 1.00 31.15 C ATOM 1696 O CYS B 74 -13.642 6.019 4.130 1.00 40.34 O ATOM 1697 CB CYS B 74 -10.879 7.245 2.621 1.00 54.44 C ATOM 1698 SG CYS B 74 -10.316 6.914 4.319 1.00 75.05 S ATOM 0 H CYS B 74 -12.012 7.274 0.436 1.00 1.12 H new ATOM 0 HA CYS B 74 -11.878 5.371 2.510 1.00 4.52 H new ATOM 0 HB2 CYS B 74 -10.092 6.995 1.910 1.00 54.44 H new ATOM 0 HB3 CYS B 74 -11.094 8.306 2.498 1.00 54.44 H new ATOM 0 HG CYS B 74 -9.263 7.633 4.575 1.00 75.05 H new ATOM 1703 N ASP B 75 -13.893 7.973 3.056 1.00 73.54 N ATOM 1704 CA ASP B 75 -15.003 8.389 3.913 1.00 72.45 C ATOM 1705 C ASP B 75 -16.219 7.501 3.731 1.00 1.34 C ATOM 1706 O ASP B 75 -16.899 7.184 4.708 1.00 1.03 O ATOM 1707 CB ASP B 75 -15.407 9.856 3.692 1.00 41.10 C ATOM 1708 CG ASP B 75 -14.533 10.888 4.396 1.00 74.41 C ATOM 1709 OD1 ASP B 75 -13.918 10.556 5.440 1.00 50.03 O ATOM 1710 OD2 ASP B 75 -14.494 12.047 3.919 1.00 13.30 O ATOM 0 H ASP B 75 -13.634 8.643 2.332 1.00 73.54 H new ATOM 0 HA ASP B 75 -14.636 8.288 4.934 1.00 72.45 H new ATOM 0 HB2 ASP B 75 -15.392 10.062 2.622 1.00 41.10 H new ATOM 0 HB3 ASP B 75 -16.436 9.986 4.028 1.00 41.10 H new ATOM 1714 N HIS B 76 -16.486 7.079 2.499 1.00 31.11 N ATOM 1715 CA HIS B 76 -17.617 6.220 2.203 1.00 43.10 C ATOM 1716 C HIS B 76 -17.418 4.837 2.834 1.00 51.42 C ATOM 1717 O HIS B 76 -18.390 4.202 3.242 1.00 75.32 O ATOM 1718 CB HIS B 76 -17.774 6.120 0.677 1.00 1.24 C ATOM 1719 CG HIS B 76 -19.096 5.574 0.197 1.00 62.41 C ATOM 1720 ND1 HIS B 76 -20.152 5.136 0.965 1.00 50.41 N ATOM 1721 CD2 HIS B 76 -19.502 5.548 -1.109 1.00 12.12 C ATOM 1722 CE1 HIS B 76 -21.181 4.876 0.150 1.00 62.42 C ATOM 1723 NE2 HIS B 76 -20.835 5.111 -1.131 1.00 40.23 N ATOM 0 H HIS B 76 -15.924 7.324 1.684 1.00 31.11 H new ATOM 0 HA HIS B 76 -18.527 6.643 2.628 1.00 43.10 H new ATOM 0 HB2 HIS B 76 -17.633 7.112 0.248 1.00 1.24 H new ATOM 0 HB3 HIS B 76 -16.976 5.488 0.287 1.00 1.24 H new ATOM 0 HD1 HIS B 76 -20.150 5.028 1.979 1.00 50.41 H new ATOM 0 HD2 HIS B 76 -18.904 5.816 -1.968 1.00 12.12 H new ATOM 0 HE1 HIS B 76 -22.151 4.527 0.473 1.00 62.42 H new ATOM 1730 N LEU B 77 -16.168 4.376 2.951 1.00 34.11 N ATOM 1731 CA LEU B 77 -15.864 3.056 3.499 1.00 12.24 C ATOM 1732 C LEU B 77 -15.630 3.080 5.011 1.00 50.41 C ATOM 1733 O LEU B 77 -15.822 2.065 5.674 1.00 55.33 O ATOM 1734 CB LEU B 77 -14.694 2.453 2.701 1.00 2.12 C ATOM 1735 CG LEU B 77 -14.492 0.934 2.844 1.00 44.11 C ATOM 1736 CD1 LEU B 77 -15.735 0.113 2.484 1.00 23.14 C ATOM 1737 CD2 LEU B 77 -13.366 0.506 1.892 1.00 74.30 C ATOM 0 H LEU B 77 -15.344 4.907 2.669 1.00 34.11 H new ATOM 0 HA LEU B 77 -16.732 2.407 3.382 1.00 12.24 H new ATOM 0 HB2 LEU B 77 -14.844 2.682 1.646 1.00 2.12 H new ATOM 0 HB3 LEU B 77 -13.775 2.952 3.008 1.00 2.12 H new ATOM 0 HG LEU B 77 -14.261 0.743 3.892 1.00 44.11 H new ATOM 0 HD11 LEU B 77 -15.519 -0.948 2.608 1.00 23.14 H new ATOM 0 HD12 LEU B 77 -16.559 0.394 3.139 1.00 23.14 H new ATOM 0 HD13 LEU B 77 -16.012 0.308 1.448 1.00 23.14 H new ATOM 0 HD21 LEU B 77 -13.206 -0.569 1.978 1.00 74.30 H new ATOM 0 HD22 LEU B 77 -13.643 0.751 0.867 1.00 74.30 H new ATOM 0 HD23 LEU B 77 -12.448 1.031 2.155 1.00 74.30 H new ATOM 1748 N SER B 78 -15.236 4.219 5.583 1.00 41.04 N ATOM 1749 CA SER B 78 -14.999 4.372 7.010 1.00 72.25 C ATOM 1750 C SER B 78 -16.323 4.270 7.773 1.00 31.33 C ATOM 1751 O SER B 78 -17.065 5.249 7.864 1.00 63.25 O ATOM 1752 CB SER B 78 -14.335 5.727 7.296 1.00 55.23 C ATOM 1753 OG SER B 78 -12.930 5.667 7.187 1.00 13.21 O ATOM 0 H SER B 78 -15.071 5.074 5.053 1.00 41.04 H new ATOM 0 HA SER B 78 -14.332 3.576 7.342 1.00 72.25 H new ATOM 0 HB2 SER B 78 -14.720 6.472 6.600 1.00 55.23 H new ATOM 0 HB3 SER B 78 -14.606 6.058 8.299 1.00 55.23 H new ATOM 0 HG SER B 78 -12.671 5.749 6.245 1.00 13.21 H new ATOM 1758 N GLY B 79 -16.544 3.155 8.460 1.00 44.24 N ATOM 1759 CA GLY B 79 -17.740 2.857 9.238 1.00 71.11 C ATOM 1760 C GLY B 79 -18.763 2.012 8.467 1.00 2.22 C ATOM 1761 O GLY B 79 -19.881 1.819 8.956 1.00 71.14 O ATOM 0 H GLY B 79 -15.861 2.398 8.491 1.00 44.24 H new ATOM 0 HA2 GLY B 79 -17.453 2.329 10.147 1.00 71.11 H new ATOM 0 HA3 GLY B 79 -18.208 3.792 9.546 1.00 71.11 H new ATOM 1765 N PHE B 80 -18.389 1.491 7.294 1.00 71.52 N ATOM 1766 CA PHE B 80 -19.219 0.631 6.469 1.00 61.45 C ATOM 1767 C PHE B 80 -19.302 -0.733 7.175 1.00 4.31 C ATOM 1768 O PHE B 80 -18.303 -1.191 7.754 1.00 12.03 O ATOM 1769 CB PHE B 80 -18.594 0.500 5.077 1.00 24.21 C ATOM 1770 CG PHE B 80 -19.522 -0.016 3.998 1.00 4.34 C ATOM 1771 CD1 PHE B 80 -20.588 0.787 3.546 1.00 51.32 C ATOM 1772 CD2 PHE B 80 -19.293 -1.274 3.407 1.00 30.53 C ATOM 1773 CE1 PHE B 80 -21.438 0.319 2.526 1.00 33.44 C ATOM 1774 CE2 PHE B 80 -20.128 -1.727 2.370 1.00 52.22 C ATOM 1775 CZ PHE B 80 -21.207 -0.936 1.934 1.00 72.45 C ATOM 0 H PHE B 80 -17.470 1.666 6.887 1.00 71.52 H new ATOM 0 HA PHE B 80 -20.220 1.042 6.341 1.00 61.45 H new ATOM 0 HB2 PHE B 80 -18.217 1.476 4.773 1.00 24.21 H new ATOM 0 HB3 PHE B 80 -17.735 -0.167 5.144 1.00 24.21 H new ATOM 0 HD1 PHE B 80 -20.753 1.761 3.982 1.00 51.32 H new ATOM 0 HD2 PHE B 80 -18.476 -1.891 3.750 1.00 30.53 H new ATOM 0 HE1 PHE B 80 -22.269 0.925 2.197 1.00 33.44 H new ATOM 0 HE2 PHE B 80 -19.941 -2.685 1.907 1.00 52.22 H new ATOM 0 HZ PHE B 80 -21.856 -1.291 1.147 1.00 72.45 H new ATOM 1784 N ASN B 81 -20.473 -1.370 7.143 1.00 21.04 N ATOM 1785 CA ASN B 81 -20.760 -2.663 7.764 1.00 3.31 C ATOM 1786 C ASN B 81 -20.978 -3.741 6.701 1.00 20.11 C ATOM 1787 O ASN B 81 -21.675 -3.497 5.714 1.00 24.54 O ATOM 1788 CB ASN B 81 -22.010 -2.521 8.651 1.00 22.40 C ATOM 1789 CG ASN B 81 -22.683 -3.860 8.951 1.00 4.03 C ATOM 1790 OD1 ASN B 81 -23.581 -4.272 8.225 1.00 40.31 O ATOM 1791 ND2 ASN B 81 -22.276 -4.557 9.992 1.00 60.25 N ATOM 0 H ASN B 81 -21.284 -0.981 6.662 1.00 21.04 H new ATOM 0 HA ASN B 81 -19.909 -2.967 8.373 1.00 3.31 H new ATOM 0 HB2 ASN B 81 -21.731 -2.042 9.590 1.00 22.40 H new ATOM 0 HB3 ASN B 81 -22.726 -1.863 8.158 1.00 22.40 H new ATOM 0 HD21 ASN B 81 -22.709 -5.455 10.205 1.00 60.25 H new ATOM 0 HD22 ASN B 81 -21.527 -4.198 10.585 1.00 60.25 H new ATOM 1797 N VAL B 82 -20.375 -4.916 6.893 1.00 52.31 N ATOM 1798 CA VAL B 82 -20.445 -6.102 6.041 1.00 71.04 C ATOM 1799 C VAL B 82 -20.100 -7.314 6.915 1.00 24.20 C ATOM 1800 O VAL B 82 -19.311 -7.187 7.848 1.00 11.25 O ATOM 1801 CB VAL B 82 -19.461 -6.028 4.846 1.00 64.31 C ATOM 1802 CG1 VAL B 82 -19.992 -5.155 3.701 1.00 75.32 C ATOM 1803 CG2 VAL B 82 -18.043 -5.558 5.223 1.00 72.33 C ATOM 0 H VAL B 82 -19.782 -5.074 7.708 1.00 52.31 H new ATOM 0 HA VAL B 82 -21.447 -6.178 5.620 1.00 71.04 H new ATOM 0 HB VAL B 82 -19.385 -7.062 4.509 1.00 64.31 H new ATOM 0 HG11 VAL B 82 -19.264 -5.137 2.890 1.00 75.32 H new ATOM 0 HG12 VAL B 82 -20.933 -5.567 3.336 1.00 75.32 H new ATOM 0 HG13 VAL B 82 -20.156 -4.140 4.063 1.00 75.32 H new ATOM 0 HG21 VAL B 82 -17.418 -5.534 4.330 1.00 72.33 H new ATOM 0 HG22 VAL B 82 -18.094 -4.559 5.657 1.00 72.33 H new ATOM 0 HG23 VAL B 82 -17.612 -6.247 5.949 1.00 72.33 H new ATOM 1813 N CYS B 83 -20.647 -8.492 6.605 1.00 60.52 N ATOM 1814 CA CYS B 83 -20.400 -9.742 7.331 1.00 33.51 C ATOM 1815 C CYS B 83 -20.443 -9.587 8.864 1.00 75.54 C ATOM 1816 O CYS B 83 -19.518 -10.018 9.564 1.00 20.41 O ATOM 1817 CB CYS B 83 -19.070 -10.347 6.851 1.00 75.31 C ATOM 1818 SG CYS B 83 -19.037 -10.524 5.043 1.00 14.41 S ATOM 0 H CYS B 83 -21.291 -8.607 5.822 1.00 60.52 H new ATOM 0 HA CYS B 83 -21.217 -10.426 7.102 1.00 33.51 H new ATOM 0 HB2 CYS B 83 -18.243 -9.713 7.171 1.00 75.31 H new ATOM 0 HB3 CYS B 83 -18.923 -11.322 7.316 1.00 75.31 H new ATOM 0 HG CYS B 83 -17.899 -11.035 4.678 1.00 14.41 H new ATOM 1823 N ASN B 84 -21.514 -8.961 9.379 1.00 45.23 N ATOM 1824 CA ASN B 84 -21.759 -8.710 10.810 1.00 44.11 C ATOM 1825 C ASN B 84 -20.607 -7.944 11.501 1.00 25.20 C ATOM 1826 O ASN B 84 -20.470 -7.952 12.726 1.00 44.05 O ATOM 1827 CB ASN B 84 -22.114 -10.051 11.484 1.00 22.52 C ATOM 1828 CG ASN B 84 -22.540 -9.908 12.938 1.00 74.34 C ATOM 1829 OD1 ASN B 84 -23.552 -9.299 13.262 1.00 74.20 O ATOM 1830 ND2 ASN B 84 -21.834 -10.535 13.861 1.00 10.41 N ATOM 0 H ASN B 84 -22.263 -8.601 8.787 1.00 45.23 H new ATOM 0 HA ASN B 84 -22.606 -8.033 10.919 1.00 44.11 H new ATOM 0 HB2 ASN B 84 -22.918 -10.528 10.924 1.00 22.52 H new ATOM 0 HB3 ASN B 84 -21.251 -10.715 11.431 1.00 22.52 H new ATOM 0 HD21 ASN B 84 -22.133 -10.510 14.836 1.00 10.41 H new ATOM 0 HD22 ASN B 84 -20.990 -11.044 13.599 1.00 10.41 H new ATOM 1836 N ARG B 85 -19.748 -7.272 10.728 1.00 45.15 N ATOM 1837 CA ARG B 85 -18.585 -6.509 11.173 1.00 73.34 C ATOM 1838 C ARG B 85 -18.523 -5.171 10.465 1.00 41.12 C ATOM 1839 O ARG B 85 -19.259 -4.902 9.521 1.00 10.54 O ATOM 1840 CB ARG B 85 -17.321 -7.301 10.801 1.00 50.42 C ATOM 1841 CG ARG B 85 -17.135 -8.544 11.664 1.00 54.14 C ATOM 1842 CD ARG B 85 -16.207 -9.510 10.931 1.00 72.32 C ATOM 1843 NE ARG B 85 -15.974 -10.704 11.738 1.00 31.34 N ATOM 1844 CZ ARG B 85 -16.884 -11.641 12.010 1.00 43.22 C ATOM 1845 NH1 ARG B 85 -18.074 -11.672 11.409 1.00 33.15 N ATOM 1846 NH2 ARG B 85 -16.583 -12.542 12.929 1.00 21.50 N ATOM 0 H ARG B 85 -19.856 -7.247 9.714 1.00 45.15 H new ATOM 0 HA ARG B 85 -18.656 -6.345 12.248 1.00 73.34 H new ATOM 0 HB2 ARG B 85 -17.376 -7.595 9.753 1.00 50.42 H new ATOM 0 HB3 ARG B 85 -16.448 -6.656 10.906 1.00 50.42 H new ATOM 0 HG2 ARG B 85 -16.712 -8.273 12.631 1.00 54.14 H new ATOM 0 HG3 ARG B 85 -18.097 -9.017 11.858 1.00 54.14 H new ATOM 0 HD2 ARG B 85 -16.646 -9.791 9.974 1.00 72.32 H new ATOM 0 HD3 ARG B 85 -15.258 -9.019 10.714 1.00 72.32 H new ATOM 0 HE ARG B 85 -15.039 -10.832 12.126 1.00 31.34 H new ATOM 0 HH11 ARG B 85 -18.314 -10.964 10.715 1.00 33.15 H new ATOM 0 HH12 ARG B 85 -18.745 -12.404 11.643 1.00 33.15 H new ATOM 0 HH21 ARG B 85 -15.681 -12.505 13.403 1.00 21.50 H new ATOM 0 HH22 ARG B 85 -17.253 -13.274 13.164 1.00 21.50 H new ATOM 1857 N TYR B 86 -17.576 -4.349 10.891 1.00 22.55 N ATOM 1858 CA TYR B 86 -17.303 -3.043 10.346 1.00 74.04 C ATOM 1859 C TYR B 86 -15.805 -3.005 10.097 1.00 51.10 C ATOM 1860 O TYR B 86 -15.014 -3.465 10.927 1.00 31.02 O ATOM 1861 CB TYR B 86 -17.762 -1.932 11.295 1.00 32.45 C ATOM 1862 CG TYR B 86 -17.108 -1.963 12.665 1.00 61.23 C ATOM 1863 CD1 TYR B 86 -17.660 -2.753 13.688 1.00 50.03 C ATOM 1864 CD2 TYR B 86 -15.946 -1.206 12.918 1.00 74.35 C ATOM 1865 CE1 TYR B 86 -17.077 -2.782 14.964 1.00 62.54 C ATOM 1866 CE2 TYR B 86 -15.377 -1.201 14.202 1.00 72.32 C ATOM 1867 CZ TYR B 86 -15.948 -1.983 15.231 1.00 12.35 C ATOM 1868 OH TYR B 86 -15.395 -1.988 16.471 1.00 11.11 O ATOM 0 H TYR B 86 -16.953 -4.592 11.661 1.00 22.55 H new ATOM 0 HA TYR B 86 -17.854 -2.870 9.422 1.00 74.04 H new ATOM 0 HB2 TYR B 86 -17.557 -0.967 10.831 1.00 32.45 H new ATOM 0 HB3 TYR B 86 -18.842 -2.002 11.421 1.00 32.45 H new ATOM 0 HD1 TYR B 86 -18.542 -3.344 13.490 1.00 50.03 H new ATOM 0 HD2 TYR B 86 -15.493 -0.630 12.124 1.00 74.35 H new ATOM 0 HE1 TYR B 86 -17.491 -3.413 15.737 1.00 62.54 H new ATOM 0 HE2 TYR B 86 -14.503 -0.599 14.403 1.00 72.32 H new ATOM 0 HH TYR B 86 -14.623 -1.384 16.487 1.00 11.11 H new ATOM 1877 N LEU B 87 -15.419 -2.534 8.917 1.00 10.11 N ATOM 1878 CA LEU B 87 -14.016 -2.403 8.542 1.00 44.31 C ATOM 1879 C LEU B 87 -13.460 -1.150 9.217 1.00 31.30 C ATOM 1880 O LEU B 87 -14.201 -0.395 9.855 1.00 43.14 O ATOM 1881 CB LEU B 87 -13.899 -2.219 7.014 1.00 2.11 C ATOM 1882 CG LEU B 87 -14.416 -3.402 6.180 1.00 44.11 C ATOM 1883 CD1 LEU B 87 -14.462 -2.992 4.705 1.00 42.34 C ATOM 1884 CD2 LEU B 87 -13.523 -4.632 6.372 1.00 42.42 C ATOM 0 H LEU B 87 -16.070 -2.232 8.193 1.00 10.11 H new ATOM 0 HA LEU B 87 -13.468 -3.294 8.847 1.00 44.31 H new ATOM 0 HB2 LEU B 87 -14.449 -1.323 6.727 1.00 2.11 H new ATOM 0 HB3 LEU B 87 -12.853 -2.045 6.762 1.00 2.11 H new ATOM 0 HG LEU B 87 -15.420 -3.667 6.513 1.00 44.11 H new ATOM 0 HD11 LEU B 87 -14.828 -3.826 4.107 1.00 42.34 H new ATOM 0 HD12 LEU B 87 -15.130 -2.139 4.585 1.00 42.34 H new ATOM 0 HD13 LEU B 87 -13.461 -2.718 4.372 1.00 42.34 H new ATOM 0 HD21 LEU B 87 -13.907 -5.458 5.773 1.00 42.42 H new ATOM 0 HD22 LEU B 87 -12.507 -4.397 6.056 1.00 42.42 H new ATOM 0 HD23 LEU B 87 -13.519 -4.918 7.424 1.00 42.42 H new ATOM 1895 N VAL B 88 -12.156 -0.932 9.137 1.00 22.11 N ATOM 1896 CA VAL B 88 -11.526 0.268 9.667 1.00 63.32 C ATOM 1897 C VAL B 88 -10.591 0.708 8.552 1.00 72.03 C ATOM 1898 O VAL B 88 -9.817 -0.113 8.053 1.00 13.24 O ATOM 1899 CB VAL B 88 -10.859 0.094 11.041 1.00 61.41 C ATOM 1900 CG1 VAL B 88 -10.563 1.471 11.643 1.00 42.11 C ATOM 1901 CG2 VAL B 88 -11.726 -0.686 12.034 1.00 5.43 C ATOM 0 H VAL B 88 -11.503 -1.584 8.702 1.00 22.11 H new ATOM 0 HA VAL B 88 -12.258 1.038 9.909 1.00 63.32 H new ATOM 0 HB VAL B 88 -9.945 -0.476 10.874 1.00 61.41 H new ATOM 0 HG11 VAL B 88 -10.090 1.348 12.617 1.00 42.11 H new ATOM 0 HG12 VAL B 88 -9.894 2.021 10.982 1.00 42.11 H new ATOM 0 HG13 VAL B 88 -11.494 2.025 11.759 1.00 42.11 H new ATOM 0 HG21 VAL B 88 -11.200 -0.775 12.985 1.00 5.43 H new ATOM 0 HG22 VAL B 88 -12.667 -0.158 12.188 1.00 5.43 H new ATOM 0 HG23 VAL B 88 -11.929 -1.681 11.637 1.00 5.43 H new ATOM 1911 N VAL B 89 -10.703 1.961 8.127 1.00 32.33 N ATOM 1912 CA VAL B 89 -9.890 2.531 7.068 1.00 11.53 C ATOM 1913 C VAL B 89 -9.037 3.616 7.714 1.00 73.30 C ATOM 1914 O VAL B 89 -9.513 4.370 8.573 1.00 2.43 O ATOM 1915 CB VAL B 89 -10.783 3.063 5.927 1.00 14.54 C ATOM 1916 CG1 VAL B 89 -9.947 3.392 4.683 1.00 73.23 C ATOM 1917 CG2 VAL B 89 -11.887 2.070 5.525 1.00 3.31 C ATOM 0 H VAL B 89 -11.376 2.620 8.519 1.00 32.33 H new ATOM 0 HA VAL B 89 -9.242 1.787 6.604 1.00 11.53 H new ATOM 0 HB VAL B 89 -11.255 3.966 6.314 1.00 14.54 H new ATOM 0 HG11 VAL B 89 -10.600 3.765 3.894 1.00 73.23 H new ATOM 0 HG12 VAL B 89 -9.208 4.153 4.932 1.00 73.23 H new ATOM 0 HG13 VAL B 89 -9.438 2.492 4.338 1.00 73.23 H new ATOM 0 HG21 VAL B 89 -12.484 2.496 4.719 1.00 3.31 H new ATOM 0 HG22 VAL B 89 -11.433 1.139 5.187 1.00 3.31 H new ATOM 0 HG23 VAL B 89 -12.527 1.870 6.384 1.00 3.31 H new ATOM 1927 N LEU B 90 -7.767 3.674 7.333 1.00 45.40 N ATOM 1928 CA LEU B 90 -6.782 4.629 7.813 1.00 71.24 C ATOM 1929 C LEU B 90 -5.830 4.918 6.651 1.00 50.13 C ATOM 1930 O LEU B 90 -5.728 4.113 5.724 1.00 4.30 O ATOM 1931 CB LEU B 90 -6.074 3.997 9.026 1.00 31.24 C ATOM 1932 CG LEU B 90 -5.038 4.895 9.724 1.00 74.41 C ATOM 1933 CD1 LEU B 90 -5.643 6.217 10.207 1.00 11.04 C ATOM 1934 CD2 LEU B 90 -4.463 4.144 10.929 1.00 23.23 C ATOM 0 H LEU B 90 -7.380 3.025 6.648 1.00 45.40 H new ATOM 0 HA LEU B 90 -7.217 5.574 8.138 1.00 71.24 H new ATOM 0 HB2 LEU B 90 -6.829 3.707 9.756 1.00 31.24 H new ATOM 0 HB3 LEU B 90 -5.577 3.083 8.700 1.00 31.24 H new ATOM 0 HG LEU B 90 -4.261 5.132 8.997 1.00 74.41 H new ATOM 0 HD11 LEU B 90 -4.871 6.814 10.692 1.00 11.04 H new ATOM 0 HD12 LEU B 90 -6.045 6.766 9.355 1.00 11.04 H new ATOM 0 HD13 LEU B 90 -6.444 6.013 10.917 1.00 11.04 H new ATOM 0 HD21 LEU B 90 -3.727 4.772 11.432 1.00 23.23 H new ATOM 0 HD22 LEU B 90 -5.267 3.901 11.623 1.00 23.23 H new ATOM 0 HD23 LEU B 90 -3.985 3.225 10.591 1.00 23.23 H new ATOM 1945 N TYR B 91 -5.166 6.071 6.654 1.00 51.34 N ATOM 1946 CA TYR B 91 -4.226 6.438 5.602 1.00 61.25 C ATOM 1947 C TYR B 91 -2.841 5.897 5.953 1.00 1.44 C ATOM 1948 O TYR B 91 -2.577 5.519 7.099 1.00 22.44 O ATOM 1949 CB TYR B 91 -4.182 7.966 5.448 1.00 23.53 C ATOM 1950 CG TYR B 91 -5.530 8.592 5.160 1.00 13.22 C ATOM 1951 CD1 TYR B 91 -6.214 8.261 3.979 1.00 3.31 C ATOM 1952 CD2 TYR B 91 -6.122 9.465 6.093 1.00 33.23 C ATOM 1953 CE1 TYR B 91 -7.498 8.777 3.737 1.00 11.14 C ATOM 1954 CE2 TYR B 91 -7.393 10.009 5.844 1.00 44.10 C ATOM 1955 CZ TYR B 91 -8.087 9.666 4.661 1.00 0.12 C ATOM 1956 OH TYR B 91 -9.314 10.194 4.410 1.00 55.35 O ATOM 0 H TYR B 91 -5.265 6.775 7.385 1.00 51.34 H new ATOM 0 HA TYR B 91 -4.549 6.006 4.655 1.00 61.25 H new ATOM 0 HB2 TYR B 91 -3.777 8.402 6.361 1.00 23.53 H new ATOM 0 HB3 TYR B 91 -3.494 8.221 4.642 1.00 23.53 H new ATOM 0 HD1 TYR B 91 -5.751 7.607 3.254 1.00 3.31 H new ATOM 0 HD2 TYR B 91 -5.597 9.717 7.003 1.00 33.23 H new ATOM 0 HE1 TYR B 91 -8.034 8.493 2.844 1.00 11.14 H new ATOM 0 HE2 TYR B 91 -7.839 10.688 6.555 1.00 44.10 H new ATOM 0 HH TYR B 91 -9.963 9.470 4.290 1.00 55.35 H new ATOM 1965 N TYR B 92 -1.952 5.837 4.964 1.00 51.31 N ATOM 1966 CA TYR B 92 -0.586 5.376 5.182 1.00 54.11 C ATOM 1967 C TYR B 92 0.247 6.550 5.718 1.00 21.12 C ATOM 1968 O TYR B 92 -0.226 7.695 5.732 1.00 50.30 O ATOM 1969 CB TYR B 92 -0.040 4.801 3.873 1.00 44.23 C ATOM 1970 CG TYR B 92 1.130 3.855 4.047 1.00 32.22 C ATOM 1971 CD1 TYR B 92 0.982 2.705 4.848 1.00 5.35 C ATOM 1972 CD2 TYR B 92 2.355 4.102 3.399 1.00 41.21 C ATOM 1973 CE1 TYR B 92 2.059 1.821 5.023 1.00 13.24 C ATOM 1974 CE2 TYR B 92 3.440 3.225 3.585 1.00 62.44 C ATOM 1975 CZ TYR B 92 3.297 2.084 4.406 1.00 0.31 C ATOM 1976 OH TYR B 92 4.328 1.220 4.599 1.00 41.14 O ATOM 0 H TYR B 92 -2.156 6.103 4.001 1.00 51.31 H new ATOM 0 HA TYR B 92 -0.543 4.579 5.924 1.00 54.11 H new ATOM 0 HB2 TYR B 92 -0.844 4.275 3.358 1.00 44.23 H new ATOM 0 HB3 TYR B 92 0.267 5.625 3.228 1.00 44.23 H new ATOM 0 HD1 TYR B 92 0.037 2.503 5.329 1.00 5.35 H new ATOM 0 HD2 TYR B 92 2.462 4.965 2.759 1.00 41.21 H new ATOM 0 HE1 TYR B 92 1.937 0.938 5.632 1.00 13.24 H new ATOM 0 HE2 TYR B 92 4.384 3.425 3.099 1.00 62.44 H new ATOM 0 HH TYR B 92 5.041 1.413 3.955 1.00 41.14 H new ATOM 1985 N ASN B 93 1.473 6.311 6.178 1.00 32.44 N ATOM 1986 CA ASN B 93 2.366 7.340 6.710 1.00 45.43 C ATOM 1987 C ASN B 93 3.803 6.965 6.404 1.00 31.33 C ATOM 1988 O ASN B 93 4.681 7.849 6.375 1.00 75.40 O ATOM 1989 CB ASN B 93 2.170 7.497 8.222 1.00 3.32 C ATOM 1990 CG ASN B 93 3.036 8.637 8.733 1.00 43.30 C ATOM 1991 OD1 ASN B 93 3.939 8.430 9.534 1.00 22.40 O ATOM 1992 ND2 ASN B 93 2.748 9.866 8.339 1.00 71.45 N ATOM 0 H ASN B 93 1.883 5.377 6.192 1.00 32.44 H new ATOM 0 HA ASN B 93 2.131 8.293 6.237 1.00 45.43 H new ATOM 0 HB2 ASN B 93 1.122 7.696 8.444 1.00 3.32 H new ATOM 0 HB3 ASN B 93 2.434 6.570 8.731 1.00 3.32 H new ATOM 0 HD21 ASN B 93 3.281 10.656 8.703 1.00 71.45 H new ATOM 0 HD22 ASN B 93 1.993 10.024 7.671 1.00 71.45 H new