USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 547 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: A 44 GLN : amide:sc= -4.86! C(o=-5.2!,f=-8.4!) USER MOD Set 1.2: A 45 GLN : amide:sc= -0.388 K(o=-5.2,f=-15!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-5.6!) USER MOD Single : A 26 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.9!) USER MOD Single : A 29 GLN : amide:sc=-0.00879 X(o=-0.0088,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 143:sc= -3.48! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= -0.0684 (180deg=-0.493) USER MOD Single : A 76 TYR OH : rot 15:sc= -2.73! USER MOD Single : A 85 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 11.653 36.592 36.184 1.00 0.00 N ATOM 313 CA THR A 21 11.903 38.009 36.381 1.00 0.00 C ATOM 314 C THR A 21 12.307 38.668 35.061 1.00 0.00 C ATOM 315 O THR A 21 11.961 39.821 34.807 1.00 0.00 O ATOM 316 CB THR A 21 12.958 38.155 37.480 1.00 0.00 C ATOM 317 OG1 THR A 21 12.209 38.522 38.635 1.00 0.00 O ATOM 318 CG2 THR A 21 13.887 39.347 37.245 1.00 0.00 C ATOM 0 HA THR A 21 11.001 38.528 36.705 1.00 0.00 H new ATOM 0 HB THR A 21 13.548 37.241 37.539 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.816 38.635 39.396 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.616 39.405 38.053 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.407 39.221 36.295 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.301 40.266 37.219 1.00 0.00 H new ATOM 326 N HIS A 22 13.031 37.907 34.254 1.00 0.00 N ATOM 327 CA HIS A 22 13.485 38.403 32.965 1.00 0.00 C ATOM 328 C HIS A 22 12.277 38.795 32.113 1.00 0.00 C ATOM 329 O HIS A 22 12.239 39.888 31.548 1.00 0.00 O ATOM 330 CB HIS A 22 14.389 37.379 32.277 1.00 0.00 C ATOM 331 CG HIS A 22 15.419 37.989 31.356 1.00 0.00 C ATOM 332 ND1 HIS A 22 15.366 37.857 29.979 1.00 0.00 N ATOM 333 CD2 HIS A 22 16.526 38.737 31.628 1.00 0.00 C ATOM 334 CE1 HIS A 22 16.400 38.499 29.457 1.00 0.00 C ATOM 335 NE2 HIS A 22 17.118 39.043 30.481 1.00 0.00 N ATOM 0 H HIS A 22 13.315 36.951 34.467 1.00 0.00 H new ATOM 0 HA HIS A 22 14.091 39.298 33.108 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.901 36.791 33.039 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.769 36.688 31.705 1.00 0.00 H new ATOM 0 HD2 HIS A 22 16.864 39.031 32.611 1.00 0.00 H new ATOM 0 HE1 HIS A 22 16.634 38.578 28.406 1.00 0.00 H new ATOM 0 HE2 HIS A 22 17.970 39.595 30.381 1.00 0.00 H new ATOM 343 N HIS A 23 11.319 37.882 32.044 1.00 0.00 N ATOM 344 CA HIS A 23 10.114 38.118 31.269 1.00 0.00 C ATOM 345 C HIS A 23 9.390 39.354 31.810 1.00 0.00 C ATOM 346 O HIS A 23 8.921 40.190 31.040 1.00 0.00 O ATOM 347 CB HIS A 23 9.226 36.872 31.250 1.00 0.00 C ATOM 348 CG HIS A 23 8.089 36.913 32.243 1.00 0.00 C ATOM 349 ND1 HIS A 23 7.147 37.927 32.263 1.00 0.00 N ATOM 350 CD2 HIS A 23 7.752 36.055 33.249 1.00 0.00 C ATOM 351 CE1 HIS A 23 6.287 37.681 33.240 1.00 0.00 C ATOM 352 NE2 HIS A 23 6.664 36.520 33.851 1.00 0.00 N ATOM 0 H HIS A 23 11.354 36.977 32.513 1.00 0.00 H new ATOM 0 HA HIS A 23 10.379 38.319 30.231 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.815 36.746 30.248 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.842 35.996 31.454 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.281 35.151 33.511 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.437 38.292 33.506 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.188 36.082 34.640 1.00 0.00 H new ATOM 360 N TRP A 24 9.323 39.430 33.131 1.00 0.00 N ATOM 361 CA TRP A 24 8.665 40.548 33.784 1.00 0.00 C ATOM 362 C TRP A 24 9.491 41.807 33.513 1.00 0.00 C ATOM 363 O TRP A 24 8.941 42.858 33.193 1.00 0.00 O ATOM 364 CB TRP A 24 8.467 40.272 35.276 1.00 0.00 C ATOM 365 CG TRP A 24 8.074 41.507 36.090 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.677 42.003 37.179 1.00 0.00 C ATOM 367 CD2 TRP A 24 6.960 42.387 35.833 1.00 0.00 C ATOM 368 NE1 TRP A 24 8.036 43.135 37.641 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.958 43.375 36.797 1.00 0.00 C ATOM 370 CE3 TRP A 24 5.985 42.350 34.821 1.00 0.00 C ATOM 371 CZ2 TRP A 24 6.004 44.400 36.844 1.00 0.00 C ATOM 372 CZ3 TRP A 24 5.039 43.381 34.881 1.00 0.00 C ATOM 373 CH2 TRP A 24 5.024 44.383 35.845 1.00 0.00 C ATOM 0 H TRP A 24 9.714 38.735 33.767 1.00 0.00 H new ATOM 0 HA TRP A 24 7.663 40.696 33.380 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.696 39.510 35.395 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.389 39.859 35.684 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.554 41.571 37.638 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.304 43.692 38.452 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.967 41.587 34.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 6.024 45.162 37.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.267 43.399 34.126 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.259 45.145 35.823 1.00 0.00 H new ATOM 384 N LEU A 25 10.801 41.657 33.652 1.00 0.00 N ATOM 385 CA LEU A 25 11.709 42.769 33.426 1.00 0.00 C ATOM 386 C LEU A 25 11.419 43.388 32.056 1.00 0.00 C ATOM 387 O LEU A 25 11.536 44.600 31.883 1.00 0.00 O ATOM 388 CB LEU A 25 13.160 42.319 33.604 1.00 0.00 C ATOM 389 CG LEU A 25 14.167 43.420 33.945 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.556 44.442 34.906 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.466 42.825 34.493 1.00 0.00 C ATOM 0 H LEU A 25 11.254 40.783 33.918 1.00 0.00 H new ATOM 0 HA LEU A 25 11.549 43.550 34.169 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.192 41.568 34.393 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.483 41.830 32.685 1.00 0.00 H new ATOM 0 HG LEU A 25 14.418 43.950 33.026 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.292 45.214 35.133 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.681 44.899 34.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.259 43.942 35.828 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.164 43.629 34.727 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.252 42.255 35.397 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.908 42.167 33.745 1.00 0.00 H new ATOM 403 N ASN A 26 11.048 42.527 31.121 1.00 0.00 N ATOM 404 CA ASN A 26 10.742 42.976 29.773 1.00 0.00 C ATOM 405 C ASN A 26 9.506 43.877 29.808 1.00 0.00 C ATOM 406 O ASN A 26 9.274 44.656 28.884 1.00 0.00 O ATOM 407 CB ASN A 26 10.435 41.790 28.855 1.00 0.00 C ATOM 408 CG ASN A 26 10.324 42.240 27.397 1.00 0.00 C ATOM 409 OD1 ASN A 26 11.079 43.070 26.917 1.00 0.00 O ATOM 410 ND2 ASN A 26 9.344 41.648 26.721 1.00 0.00 N ATOM 0 H ASN A 26 10.952 41.522 31.269 1.00 0.00 H new ATOM 0 HA ASN A 26 11.610 43.514 29.392 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.220 41.040 28.949 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.503 41.317 29.165 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.188 41.880 25.740 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.748 40.961 27.183 1.00 0.00 H new ATOM 417 N PHE A 27 8.745 43.742 30.884 1.00 0.00 N ATOM 418 CA PHE A 27 7.539 44.535 31.053 1.00 0.00 C ATOM 419 C PHE A 27 7.802 45.753 31.940 1.00 0.00 C ATOM 420 O PHE A 27 7.225 46.817 31.727 1.00 0.00 O ATOM 421 CB PHE A 27 6.504 43.636 31.733 1.00 0.00 C ATOM 422 CG PHE A 27 5.060 43.931 31.325 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.746 45.119 30.742 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.088 43.004 31.544 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.405 45.392 30.363 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.748 43.277 31.165 1.00 0.00 C ATOM 427 CZ PHE A 27 2.434 44.466 30.581 1.00 0.00 C ATOM 0 H PHE A 27 8.940 43.095 31.648 1.00 0.00 H new ATOM 0 HA PHE A 27 7.192 44.894 30.084 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.732 42.596 31.499 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.595 43.747 32.813 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.517 45.855 30.567 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.337 42.060 32.006 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.156 46.336 29.901 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.977 42.541 31.340 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.414 44.673 30.291 1.00 0.00 H new ATOM 437 N LEU A 28 8.675 45.555 32.917 1.00 0.00 N ATOM 438 CA LEU A 28 9.023 46.623 33.838 1.00 0.00 C ATOM 439 C LEU A 28 9.927 47.631 33.125 1.00 0.00 C ATOM 440 O LEU A 28 9.961 48.806 33.488 1.00 0.00 O ATOM 441 CB LEU A 28 9.631 46.050 35.119 1.00 0.00 C ATOM 442 CG LEU A 28 9.787 47.031 36.284 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.496 47.818 36.515 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.252 46.307 37.550 1.00 0.00 C ATOM 0 H LEU A 28 9.152 44.670 33.091 1.00 0.00 H new ATOM 0 HA LEU A 28 8.129 47.162 34.151 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.011 45.218 35.451 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.613 45.641 34.880 1.00 0.00 H new ATOM 0 HG LEU A 28 10.561 47.753 36.022 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.634 48.507 37.348 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.247 48.381 35.615 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.685 47.127 36.747 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.355 47.026 38.363 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.518 45.550 37.826 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.214 45.829 37.364 1.00 0.00 H new ATOM 456 N GLN A 29 10.640 47.134 32.125 1.00 0.00 N ATOM 457 CA GLN A 29 11.543 47.976 31.358 1.00 0.00 C ATOM 458 C GLN A 29 10.750 49.000 30.543 1.00 0.00 C ATOM 459 O GLN A 29 10.980 50.203 30.658 1.00 0.00 O ATOM 460 CB GLN A 29 12.442 47.133 30.453 1.00 0.00 C ATOM 461 CG GLN A 29 13.734 47.881 30.113 1.00 0.00 C ATOM 462 CD GLN A 29 14.364 47.333 28.832 1.00 0.00 C ATOM 463 OE1 GLN A 29 15.363 46.634 28.849 1.00 0.00 O ATOM 464 NE2 GLN A 29 13.725 47.689 27.720 1.00 0.00 N ATOM 0 H GLN A 29 10.611 46.159 31.828 1.00 0.00 H new ATOM 0 HA GLN A 29 12.186 48.514 32.054 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.682 46.192 30.948 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.909 46.884 29.535 1.00 0.00 H new ATOM 0 HG2 GLN A 29 13.522 48.943 29.993 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.440 47.788 30.938 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.893 48.277 27.776 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.067 47.374 26.812 1.00 0.00 H new ATOM 473 N ALA A 30 9.833 48.485 29.737 1.00 0.00 N ATOM 474 CA ALA A 30 9.005 49.340 28.904 1.00 0.00 C ATOM 475 C ALA A 30 8.274 50.353 29.786 1.00 0.00 C ATOM 476 O ALA A 30 8.180 51.530 29.439 1.00 0.00 O ATOM 477 CB ALA A 30 8.041 48.477 28.086 1.00 0.00 C ATOM 0 H ALA A 30 9.645 47.487 29.643 1.00 0.00 H new ATOM 0 HA ALA A 30 9.620 49.900 28.200 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.420 49.118 27.461 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.610 47.795 27.454 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.406 47.902 28.760 1.00 0.00 H new ATOM 483 N ALA A 31 7.776 49.860 30.911 1.00 0.00 N ATOM 484 CA ALA A 31 7.057 50.709 31.846 1.00 0.00 C ATOM 485 C ALA A 31 7.981 51.830 32.325 1.00 0.00 C ATOM 486 O ALA A 31 7.538 52.960 32.530 1.00 0.00 O ATOM 487 CB ALA A 31 6.524 49.859 33.001 1.00 0.00 C ATOM 0 H ALA A 31 7.856 48.884 31.196 1.00 0.00 H new ATOM 0 HA ALA A 31 6.199 51.174 31.360 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.985 50.496 33.702 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.850 49.097 32.611 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.357 49.379 33.514 1.00 0.00 H new ATOM 493 N TYR A 32 9.249 51.480 32.490 1.00 0.00 N ATOM 494 CA TYR A 32 10.238 52.442 32.942 1.00 0.00 C ATOM 495 C TYR A 32 10.640 53.388 31.808 1.00 0.00 C ATOM 496 O TYR A 32 11.225 54.442 32.052 1.00 0.00 O ATOM 497 CB TYR A 32 11.461 51.624 33.364 1.00 0.00 C ATOM 498 CG TYR A 32 11.996 51.977 34.753 1.00 0.00 C ATOM 499 CD1 TYR A 32 11.304 51.582 35.880 1.00 0.00 C ATOM 500 CD2 TYR A 32 13.171 52.690 34.879 1.00 0.00 C ATOM 501 CE1 TYR A 32 11.809 51.914 37.187 1.00 0.00 C ATOM 502 CE2 TYR A 32 13.676 53.022 36.186 1.00 0.00 C ATOM 503 CZ TYR A 32 12.970 52.618 37.276 1.00 0.00 C ATOM 504 OH TYR A 32 13.446 52.931 38.510 1.00 0.00 O ATOM 0 H TYR A 32 9.613 50.543 32.318 1.00 0.00 H new ATOM 0 HA TYR A 32 9.839 53.048 33.755 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.202 50.565 33.344 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.255 51.772 32.632 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.384 51.024 35.782 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.712 52.999 33.997 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.278 51.611 38.077 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.594 53.579 36.298 1.00 0.00 H new ATOM 0 HH TYR A 32 14.282 53.434 38.420 1.00 0.00 H new ATOM 514 N ARG A 33 10.309 52.978 30.593 1.00 0.00 N ATOM 515 CA ARG A 33 10.628 53.776 29.421 1.00 0.00 C ATOM 516 C ARG A 33 9.554 54.843 29.198 1.00 0.00 C ATOM 517 O ARG A 33 9.780 55.813 28.477 1.00 0.00 O ATOM 518 CB ARG A 33 10.734 52.900 28.171 1.00 0.00 C ATOM 519 CG ARG A 33 11.245 53.710 26.977 1.00 0.00 C ATOM 520 CD ARG A 33 11.197 52.880 25.692 1.00 0.00 C ATOM 521 NE ARG A 33 12.283 53.300 24.777 1.00 0.00 N ATOM 522 CZ ARG A 33 13.597 53.174 25.055 1.00 0.00 C ATOM 523 NH1 ARG A 33 14.002 52.637 26.225 1.00 0.00 N ATOM 524 NH2 ARG A 33 14.481 53.583 24.165 1.00 0.00 N ATOM 0 H ARG A 33 9.823 52.104 30.394 1.00 0.00 H new ATOM 0 HA ARG A 33 11.591 54.255 29.598 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.407 52.065 28.364 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.758 52.475 27.936 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.640 54.609 26.857 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.268 54.037 27.165 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.299 51.821 25.929 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.230 53.005 25.204 1.00 0.00 H new ATOM 0 HE ARG A 33 12.021 53.710 23.881 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.312 52.322 26.908 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.998 52.546 26.427 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.167 53.987 23.283 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.478 53.495 24.359 1.00 0.00 H new ATOM 537 N LEU A 34 8.410 54.627 29.830 1.00 0.00 N ATOM 538 CA LEU A 34 7.302 55.559 29.710 1.00 0.00 C ATOM 539 C LEU A 34 7.366 56.572 30.855 1.00 0.00 C ATOM 540 O LEU A 34 8.422 56.774 31.451 1.00 0.00 O ATOM 541 CB LEU A 34 5.974 54.804 29.631 1.00 0.00 C ATOM 542 CG LEU A 34 5.881 53.720 28.555 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.653 52.834 28.771 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.905 54.334 27.154 1.00 0.00 C ATOM 0 H LEU A 34 8.226 53.820 30.427 1.00 0.00 H new ATOM 0 HA LEU A 34 7.378 56.123 28.781 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.783 54.343 30.600 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.177 55.528 29.459 1.00 0.00 H new ATOM 0 HG LEU A 34 6.758 53.079 28.641 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.612 52.073 27.992 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.719 52.352 29.746 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.751 53.445 28.729 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.838 53.542 26.408 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.060 55.013 27.040 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.835 54.886 27.014 1.00 0.00 H new ATOM 665 N PHE A 43 1.578 49.872 38.567 1.00 0.00 N ATOM 666 CA PHE A 43 1.698 48.425 38.621 1.00 0.00 C ATOM 667 C PHE A 43 0.343 47.773 38.906 1.00 0.00 C ATOM 668 O PHE A 43 0.163 46.579 38.671 1.00 0.00 O ATOM 669 CB PHE A 43 2.658 48.098 39.767 1.00 0.00 C ATOM 670 CG PHE A 43 4.106 48.515 39.503 1.00 0.00 C ATOM 671 CD1 PHE A 43 4.471 49.820 39.625 1.00 0.00 C ATOM 672 CD2 PHE A 43 5.030 47.582 39.148 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.815 50.208 39.380 1.00 0.00 C ATOM 674 CE2 PHE A 43 6.373 47.969 38.903 1.00 0.00 C ATOM 675 CZ PHE A 43 6.738 49.273 39.024 1.00 0.00 C ATOM 0 HA PHE A 43 2.060 48.046 37.665 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.308 48.592 40.673 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.628 47.025 39.957 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.738 50.561 39.908 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.741 46.546 39.053 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.105 51.244 39.476 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.105 47.227 38.620 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.760 49.567 38.838 1.00 0.00 H new ATOM 685 N GLN A 44 -0.574 48.587 39.409 1.00 0.00 N ATOM 686 CA GLN A 44 -1.908 48.104 39.727 1.00 0.00 C ATOM 687 C GLN A 44 -2.616 47.623 38.460 1.00 0.00 C ATOM 688 O GLN A 44 -3.179 46.530 38.436 1.00 0.00 O ATOM 689 CB GLN A 44 -2.727 49.184 40.437 1.00 0.00 C ATOM 690 CG GLN A 44 -2.854 50.436 39.566 1.00 0.00 C ATOM 691 CD GLN A 44 -4.072 50.339 38.645 1.00 0.00 C ATOM 692 OE1 GLN A 44 -4.771 49.341 38.599 1.00 0.00 O ATOM 693 NE2 GLN A 44 -4.287 51.432 37.916 1.00 0.00 N ATOM 0 H GLN A 44 -0.420 49.576 39.604 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.814 47.259 40.409 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.719 48.798 40.672 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.253 49.442 41.384 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.942 51.318 40.200 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.951 50.562 38.969 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.663 52.234 38.003 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.076 51.468 37.271 1.00 0.00 H new ATOM 702 N GLN A 45 -2.564 48.463 37.436 1.00 0.00 N ATOM 703 CA GLN A 45 -3.193 48.137 36.168 1.00 0.00 C ATOM 704 C GLN A 45 -2.468 46.966 35.501 1.00 0.00 C ATOM 705 O GLN A 45 -3.055 46.248 34.694 1.00 0.00 O ATOM 706 CB GLN A 45 -3.229 49.357 35.245 1.00 0.00 C ATOM 707 CG GLN A 45 -1.817 49.756 34.809 1.00 0.00 C ATOM 708 CD GLN A 45 -1.343 51.001 35.563 1.00 0.00 C ATOM 709 OE1 GLN A 45 -1.748 51.273 36.681 1.00 0.00 O ATOM 710 NE2 GLN A 45 -0.464 51.737 34.890 1.00 0.00 N ATOM 0 H GLN A 45 -2.096 49.369 37.459 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.223 47.838 36.362 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.836 49.136 34.367 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.705 50.192 35.759 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.129 48.931 34.993 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.804 49.949 33.736 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.168 51.451 33.957 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.086 52.588 35.307 1.00 0.00 H new ATOM 719 N LEU A 46 -1.204 46.809 35.864 1.00 0.00 N ATOM 720 CA LEU A 46 -0.393 45.739 35.311 1.00 0.00 C ATOM 721 C LEU A 46 -0.743 44.425 36.015 1.00 0.00 C ATOM 722 O LEU A 46 -1.089 43.441 35.363 1.00 0.00 O ATOM 723 CB LEU A 46 1.093 46.098 35.384 1.00 0.00 C ATOM 724 CG LEU A 46 1.789 46.345 34.044 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.885 47.404 34.184 1.00 0.00 C ATOM 726 CD2 LEU A 46 2.324 45.040 33.454 1.00 0.00 C ATOM 0 H LEU A 46 -0.721 47.406 36.535 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.612 45.604 34.252 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.201 46.993 35.997 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.616 45.293 35.900 1.00 0.00 H new ATOM 0 HG LEU A 46 1.051 46.735 33.342 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.364 47.561 33.218 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.445 48.340 34.527 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.628 47.066 34.907 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.814 45.245 32.502 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.042 44.597 34.144 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.498 44.347 33.295 1.00 0.00 H new ATOM 738 N ARG A 47 -0.642 44.453 37.335 1.00 0.00 N ATOM 739 CA ARG A 47 -0.943 43.277 38.133 1.00 0.00 C ATOM 740 C ARG A 47 -2.328 42.734 37.776 1.00 0.00 C ATOM 741 O ARG A 47 -2.631 41.571 38.041 1.00 0.00 O ATOM 742 CB ARG A 47 -0.900 43.600 39.629 1.00 0.00 C ATOM 743 CG ARG A 47 -0.523 42.363 40.447 1.00 0.00 C ATOM 744 CD ARG A 47 -0.749 42.604 41.940 1.00 0.00 C ATOM 745 NE ARG A 47 -2.124 42.206 42.316 1.00 0.00 N ATOM 746 CZ ARG A 47 -2.499 40.935 42.576 1.00 0.00 C ATOM 747 NH1 ARG A 47 -1.604 39.928 42.503 1.00 0.00 N ATOM 748 NH2 ARG A 47 -3.755 40.694 42.902 1.00 0.00 N ATOM 0 H ARG A 47 -0.356 45.271 37.872 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.186 42.525 37.913 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.178 44.395 39.812 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.872 43.972 39.952 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.117 41.510 40.119 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.522 42.110 40.270 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.025 42.034 42.522 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.589 43.656 42.175 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.832 42.937 42.383 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.636 40.124 42.250 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.896 38.971 42.701 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.425 41.462 42.954 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.056 39.740 43.102 1.00 0.00 H new ATOM 761 N ARG A 48 -3.133 43.601 37.179 1.00 0.00 N ATOM 762 CA ARG A 48 -4.478 43.223 36.783 1.00 0.00 C ATOM 763 C ARG A 48 -4.443 42.425 35.478 1.00 0.00 C ATOM 764 O ARG A 48 -5.240 41.507 35.285 1.00 0.00 O ATOM 765 CB ARG A 48 -5.365 44.456 36.595 1.00 0.00 C ATOM 766 CG ARG A 48 -6.102 44.804 37.889 1.00 0.00 C ATOM 767 CD ARG A 48 -6.626 46.240 37.852 1.00 0.00 C ATOM 768 NE ARG A 48 -8.090 46.250 38.069 1.00 0.00 N ATOM 769 CZ ARG A 48 -8.996 45.897 37.134 1.00 0.00 C ATOM 770 NH1 ARG A 48 -8.596 45.503 35.906 1.00 0.00 N ATOM 771 NH2 ARG A 48 -10.281 45.944 37.436 1.00 0.00 N ATOM 0 H ARG A 48 -2.879 44.564 36.960 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.896 42.607 37.579 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.755 45.303 36.281 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.087 44.271 35.800 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.933 44.114 38.035 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.431 44.680 38.739 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.132 46.836 38.619 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.389 46.698 36.892 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.436 46.542 38.983 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.602 45.471 35.679 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.288 45.238 35.205 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.576 46.244 38.365 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.978 45.680 36.740 1.00 0.00 H new ATOM 784 N PHE A 49 -3.511 42.802 34.616 1.00 0.00 N ATOM 785 CA PHE A 49 -3.361 42.133 33.335 1.00 0.00 C ATOM 786 C PHE A 49 -2.518 40.864 33.474 1.00 0.00 C ATOM 787 O PHE A 49 -2.750 39.880 32.773 1.00 0.00 O ATOM 788 CB PHE A 49 -2.640 43.109 32.402 1.00 0.00 C ATOM 789 CG PHE A 49 -2.213 42.495 31.068 1.00 0.00 C ATOM 790 CD1 PHE A 49 -3.128 41.863 30.286 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.917 42.580 30.664 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.732 41.292 29.048 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.521 42.009 29.426 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.437 41.378 28.644 1.00 0.00 C ATOM 0 H PHE A 49 -2.852 43.563 34.779 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.339 41.847 32.949 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.294 43.959 32.206 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.757 43.497 32.911 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.157 41.795 30.607 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.189 43.082 31.285 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.459 40.790 28.428 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.508 42.076 29.105 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.136 40.945 27.702 1.00 0.00 H new ATOM 804 N LEU A 50 -1.557 40.927 34.385 1.00 0.00 N ATOM 805 CA LEU A 50 -0.679 39.794 34.625 1.00 0.00 C ATOM 806 C LEU A 50 -1.476 38.667 35.284 1.00 0.00 C ATOM 807 O LEU A 50 -1.452 37.530 34.816 1.00 0.00 O ATOM 808 CB LEU A 50 0.549 40.229 35.428 1.00 0.00 C ATOM 809 CG LEU A 50 1.379 41.363 34.822 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.056 42.191 35.915 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.387 40.821 33.806 1.00 0.00 C ATOM 0 H LEU A 50 -1.367 41.744 34.965 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.294 39.404 33.683 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.219 40.537 36.420 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.197 39.363 35.562 1.00 0.00 H new ATOM 0 HG LEU A 50 0.706 42.030 34.284 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.639 42.990 35.457 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.297 42.624 36.567 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.715 41.550 36.501 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.964 41.647 33.390 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.060 40.120 34.300 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.856 40.309 33.004 1.00 0.00 H new ATOM 823 N LYS A 51 -2.164 39.021 36.359 1.00 0.00 N ATOM 824 CA LYS A 51 -2.967 38.054 37.087 1.00 0.00 C ATOM 825 C LYS A 51 -3.963 37.399 36.127 1.00 0.00 C ATOM 826 O LYS A 51 -4.387 36.265 36.346 1.00 0.00 O ATOM 827 CB LYS A 51 -3.625 38.710 38.303 1.00 0.00 C ATOM 828 CG LYS A 51 -4.902 39.451 37.902 1.00 0.00 C ATOM 829 CD LYS A 51 -5.421 40.312 39.055 1.00 0.00 C ATOM 830 CE LYS A 51 -6.308 39.494 39.995 1.00 0.00 C ATOM 831 NZ LYS A 51 -7.738 39.736 39.700 1.00 0.00 N ATOM 0 H LYS A 51 -2.182 39.965 36.744 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.337 37.259 37.485 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.860 37.950 39.048 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.927 39.406 38.767 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.704 40.080 37.034 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.667 38.732 37.607 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.580 40.726 39.611 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.986 41.155 38.658 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.083 38.433 39.886 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.094 39.760 41.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.326 39.173 40.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.953 40.746 39.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.942 39.460 38.718 1.00 0.00 H new ATOM 844 N LEU A 52 -4.307 38.141 35.085 1.00 0.00 N ATOM 845 CA LEU A 52 -5.244 37.647 34.091 1.00 0.00 C ATOM 846 C LEU A 52 -4.598 36.499 33.313 1.00 0.00 C ATOM 847 O LEU A 52 -5.168 35.415 33.213 1.00 0.00 O ATOM 848 CB LEU A 52 -5.736 38.792 33.203 1.00 0.00 C ATOM 849 CG LEU A 52 -6.480 38.381 31.930 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.233 39.569 31.328 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.526 37.736 30.922 1.00 0.00 C ATOM 0 H LEU A 52 -3.953 39.081 34.908 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.134 37.244 34.574 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.394 39.428 33.795 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.877 39.399 32.918 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.224 37.630 32.196 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.753 39.250 30.425 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.958 39.944 32.051 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.525 40.360 31.079 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.080 37.453 30.027 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.743 38.446 30.656 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.075 36.848 31.365 1.00 0.00 H new ATOM 863 N ALA A 53 -3.416 36.778 32.782 1.00 0.00 N ATOM 864 CA ALA A 53 -2.686 35.782 32.016 1.00 0.00 C ATOM 865 C ALA A 53 -2.378 34.580 32.913 1.00 0.00 C ATOM 866 O ALA A 53 -2.319 33.447 32.439 1.00 0.00 O ATOM 867 CB ALA A 53 -1.421 36.413 31.433 1.00 0.00 C ATOM 0 H ALA A 53 -2.946 37.679 32.867 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.287 35.424 31.180 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.873 35.666 30.858 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.695 37.243 30.781 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.791 36.781 32.243 1.00 0.00 H new ATOM 873 N LEU A 54 -2.192 34.869 34.192 1.00 0.00 N ATOM 874 CA LEU A 54 -1.892 33.826 35.158 1.00 0.00 C ATOM 875 C LEU A 54 -2.950 32.726 35.060 1.00 0.00 C ATOM 876 O LEU A 54 -2.654 31.553 35.286 1.00 0.00 O ATOM 877 CB LEU A 54 -1.752 34.421 36.562 1.00 0.00 C ATOM 878 CG LEU A 54 -0.399 34.214 37.246 1.00 0.00 C ATOM 879 CD1 LEU A 54 0.747 34.320 36.238 1.00 0.00 C ATOM 880 CD2 LEU A 54 -0.223 35.181 38.418 1.00 0.00 C ATOM 0 H LEU A 54 -2.243 35.810 34.582 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.930 33.365 34.934 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.947 35.492 36.502 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.527 33.991 37.196 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.375 33.204 37.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.697 34.169 36.750 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.625 33.559 35.467 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.736 35.308 35.777 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.747 35.012 38.886 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.277 36.207 38.054 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.013 35.013 39.150 1.00 0.00 H new ATOM 892 N LYS A 55 -4.162 33.142 34.723 1.00 0.00 N ATOM 893 CA LYS A 55 -5.265 32.206 34.592 1.00 0.00 C ATOM 894 C LYS A 55 -5.011 31.290 33.393 1.00 0.00 C ATOM 895 O LYS A 55 -5.719 30.303 33.200 1.00 0.00 O ATOM 896 CB LYS A 55 -6.598 32.956 34.521 1.00 0.00 C ATOM 897 CG LYS A 55 -6.995 33.231 33.069 1.00 0.00 C ATOM 898 CD LYS A 55 -8.075 34.312 32.992 1.00 0.00 C ATOM 899 CE LYS A 55 -9.281 33.827 32.185 1.00 0.00 C ATOM 900 NZ LYS A 55 -9.037 34.000 30.735 1.00 0.00 N ATOM 0 H LYS A 55 -4.404 34.115 34.537 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.330 31.568 35.473 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.376 32.369 35.010 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.519 33.897 35.065 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.119 33.546 32.502 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.360 32.313 32.608 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.393 34.586 33.998 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.663 35.210 32.532 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.475 32.777 32.405 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.171 34.384 32.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.865 33.666 30.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.874 35.006 30.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.200 33.449 30.456 1.00 0.00 H new ATOM 913 N THR A 56 -3.997 31.649 32.619 1.00 0.00 N ATOM 914 CA THR A 56 -3.640 30.870 31.444 1.00 0.00 C ATOM 915 C THR A 56 -2.193 30.384 31.547 1.00 0.00 C ATOM 916 O THR A 56 -1.287 31.000 30.988 1.00 0.00 O ATOM 917 CB THR A 56 -3.906 31.731 30.209 1.00 0.00 C ATOM 918 OG1 THR A 56 -5.146 32.374 30.494 1.00 0.00 O ATOM 919 CG2 THR A 56 -4.200 30.892 28.963 1.00 0.00 C ATOM 0 H THR A 56 -3.411 32.468 32.782 1.00 0.00 H new ATOM 0 HA THR A 56 -4.248 29.968 31.366 1.00 0.00 H new ATOM 0 HB THR A 56 -3.044 32.372 30.021 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.393 32.955 29.744 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.382 31.552 28.115 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.346 30.250 28.747 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.082 30.276 29.139 1.00 0.00 H new ATOM 927 N PRO A 57 -2.017 29.254 32.284 1.00 0.00 N ATOM 928 CA PRO A 57 -0.696 28.679 32.466 1.00 0.00 C ATOM 929 C PRO A 57 -0.229 27.965 31.195 1.00 0.00 C ATOM 930 O PRO A 57 0.151 26.795 31.241 1.00 0.00 O ATOM 931 CB PRO A 57 -0.834 27.745 33.656 1.00 0.00 C ATOM 932 CG PRO A 57 -2.323 27.478 33.805 1.00 0.00 C ATOM 933 CD PRO A 57 -3.067 28.499 32.960 1.00 0.00 C ATOM 0 HA PRO A 57 0.069 29.432 32.655 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.285 26.818 33.490 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.426 28.200 34.559 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.564 26.466 33.480 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.622 27.557 34.850 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.730 28.013 32.244 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.687 29.149 33.578 1.00 0.00 H new ATOM 941 N ILE A 58 -0.272 28.698 30.093 1.00 0.00 N ATOM 942 CA ILE A 58 0.142 28.149 28.812 1.00 0.00 C ATOM 943 C ILE A 58 1.339 28.943 28.285 1.00 0.00 C ATOM 944 O ILE A 58 2.095 28.450 27.449 1.00 0.00 O ATOM 945 CB ILE A 58 -1.041 28.100 27.843 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.601 28.462 26.423 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.187 28.989 28.331 1.00 0.00 C ATOM 948 CD1 ILE A 58 0.349 27.404 25.858 1.00 0.00 C ATOM 0 H ILE A 58 -0.587 29.668 30.060 1.00 0.00 H new ATOM 0 HA ILE A 58 0.471 27.116 28.927 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.417 27.077 27.814 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.476 28.552 25.779 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.108 29.434 26.428 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.015 28.936 27.624 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.523 28.646 29.310 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.841 30.020 28.407 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.647 27.685 24.848 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.234 27.334 26.491 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.156 26.438 25.832 1.00 0.00 H new ATOM 960 N TRP A 59 1.471 30.160 28.794 1.00 0.00 N ATOM 961 CA TRP A 59 2.562 31.027 28.384 1.00 0.00 C ATOM 962 C TRP A 59 3.691 30.881 29.406 1.00 0.00 C ATOM 963 O TRP A 59 4.852 31.150 29.098 1.00 0.00 O ATOM 964 CB TRP A 59 2.084 32.471 28.223 1.00 0.00 C ATOM 965 CG TRP A 59 1.247 32.983 29.396 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.053 32.765 29.640 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.706 33.814 30.483 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.463 33.392 30.799 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.641 34.050 31.329 1.00 0.00 C ATOM 970 CE3 TRP A 59 2.980 34.349 30.744 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.740 34.825 32.490 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.063 35.122 31.909 1.00 0.00 C ATOM 973 CH2 TRP A 59 2.000 35.368 32.770 1.00 0.00 C ATOM 0 H TRP A 59 0.841 30.565 29.486 1.00 0.00 H new ATOM 0 HA TRP A 59 2.940 30.735 27.404 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.952 33.119 28.099 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.496 32.548 27.309 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.699 32.173 29.009 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.403 33.376 31.194 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.828 34.177 30.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.109 34.995 33.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.020 35.557 32.156 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.145 35.975 33.651 1.00 0.00 H new ATOM 984 N LEU A 60 3.313 30.455 30.602 1.00 0.00 N ATOM 985 CA LEU A 60 4.279 30.269 31.671 1.00 0.00 C ATOM 986 C LEU A 60 5.199 29.096 31.324 1.00 0.00 C ATOM 987 O LEU A 60 6.421 29.241 31.320 1.00 0.00 O ATOM 988 CB LEU A 60 3.567 30.116 33.017 1.00 0.00 C ATOM 989 CG LEU A 60 3.773 31.254 34.018 1.00 0.00 C ATOM 990 CD1 LEU A 60 3.921 32.597 33.300 1.00 0.00 C ATOM 991 CD2 LEU A 60 2.649 31.280 35.057 1.00 0.00 C ATOM 0 H LEU A 60 2.350 30.233 30.855 1.00 0.00 H new ATOM 0 HA LEU A 60 4.911 31.151 31.770 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.498 30.012 32.830 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.902 29.187 33.479 1.00 0.00 H new ATOM 0 HG LEU A 60 4.704 31.072 34.555 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.066 33.389 34.035 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.782 32.560 32.632 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.021 32.801 32.720 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.819 32.098 35.757 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.693 31.425 34.555 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.634 30.335 35.600 1.00 0.00 H new ATOM 1003 N ASN A 61 4.576 27.961 31.042 1.00 0.00 N ATOM 1004 CA ASN A 61 5.324 26.765 30.696 1.00 0.00 C ATOM 1005 C ASN A 61 6.389 27.117 29.658 1.00 0.00 C ATOM 1006 O ASN A 61 7.581 26.937 29.901 1.00 0.00 O ATOM 1007 CB ASN A 61 4.407 25.700 30.090 1.00 0.00 C ATOM 1008 CG ASN A 61 4.364 24.449 30.970 1.00 0.00 C ATOM 1009 OD1 ASN A 61 5.256 23.616 30.955 1.00 0.00 O ATOM 1010 ND2 ASN A 61 3.280 24.362 31.735 1.00 0.00 N ATOM 0 H ASN A 61 3.563 27.845 31.046 1.00 0.00 H new ATOM 0 HA ASN A 61 5.778 26.375 31.607 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.401 26.103 29.976 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.760 25.436 29.093 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.158 23.563 32.357 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.571 25.094 31.700 1.00 0.00 H new ATOM 1017 N PRO A 62 5.910 27.626 28.491 1.00 0.00 N ATOM 1018 CA PRO A 62 6.808 28.006 27.414 1.00 0.00 C ATOM 1019 C PRO A 62 7.523 29.320 27.734 1.00 0.00 C ATOM 1020 O PRO A 62 8.453 29.712 27.030 1.00 0.00 O ATOM 1021 CB PRO A 62 5.927 28.093 26.179 1.00 0.00 C ATOM 1022 CG PRO A 62 4.502 28.217 26.692 1.00 0.00 C ATOM 1023 CD PRO A 62 4.504 27.853 28.168 1.00 0.00 C ATOM 0 HA PRO A 62 7.612 27.286 27.262 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.198 28.953 25.566 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.042 27.207 25.554 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.132 29.232 26.550 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.837 27.555 26.137 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.083 28.655 28.774 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.905 26.962 28.357 1.00 0.00 H new ATOM 1031 N ILE A 63 7.061 29.964 28.795 1.00 0.00 N ATOM 1032 CA ILE A 63 7.644 31.227 29.217 1.00 0.00 C ATOM 1033 C ILE A 63 8.040 32.038 27.982 1.00 0.00 C ATOM 1034 O ILE A 63 9.173 31.948 27.510 1.00 0.00 O ATOM 1035 CB ILE A 63 8.801 30.984 30.189 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.304 32.302 30.783 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.925 30.192 29.518 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.134 33.208 31.174 1.00 0.00 C ATOM 0 H ILE A 63 6.289 29.635 29.376 1.00 0.00 H new ATOM 0 HA ILE A 63 6.913 31.819 29.768 1.00 0.00 H new ATOM 0 HB ILE A 63 8.430 30.378 31.016 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.920 32.099 31.659 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.938 32.813 30.059 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.734 30.033 30.231 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.542 29.228 29.184 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.301 30.750 28.660 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.518 34.138 31.593 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.534 33.429 30.291 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.515 32.704 31.916 1.00 0.00 H new ATOM 1050 N ASP A 64 7.083 32.813 27.492 1.00 0.00 N ATOM 1051 CA ASP A 64 7.318 33.641 26.321 1.00 0.00 C ATOM 1052 C ASP A 64 6.269 34.753 26.269 1.00 0.00 C ATOM 1053 O ASP A 64 5.078 34.483 26.120 1.00 0.00 O ATOM 1054 CB ASP A 64 7.201 32.821 25.034 1.00 0.00 C ATOM 1055 CG ASP A 64 8.492 32.134 24.585 1.00 0.00 C ATOM 1056 OD1 ASP A 64 8.481 30.966 24.168 1.00 0.00 O ATOM 1057 OD2 ASP A 64 9.555 32.857 24.678 1.00 0.00 O ATOM 0 H ASP A 64 6.144 32.885 27.884 1.00 0.00 H new ATOM 0 HA ASP A 64 8.324 34.053 26.396 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.433 32.061 25.174 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.859 33.477 24.233 1.00 0.00 H new ATOM 1063 N TYR A 65 6.749 35.982 26.396 1.00 0.00 N ATOM 1064 CA TYR A 65 5.868 37.137 26.366 1.00 0.00 C ATOM 1065 C TYR A 65 5.153 37.246 25.017 1.00 0.00 C ATOM 1066 O TYR A 65 4.208 38.021 24.872 1.00 0.00 O ATOM 1067 CB TYR A 65 6.767 38.360 26.554 1.00 0.00 C ATOM 1068 CG TYR A 65 6.069 39.552 27.210 1.00 0.00 C ATOM 1069 CD1 TYR A 65 5.135 40.280 26.502 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.374 39.899 28.511 1.00 0.00 C ATOM 1071 CE1 TYR A 65 4.477 41.402 27.121 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.715 41.020 29.129 1.00 0.00 C ATOM 1073 CZ TYR A 65 4.800 41.717 28.404 1.00 0.00 C ATOM 1074 OH TYR A 65 4.178 42.777 28.988 1.00 0.00 O ATOM 0 H TYR A 65 7.737 36.203 26.520 1.00 0.00 H new ATOM 0 HA TYR A 65 5.105 37.057 27.140 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.626 38.076 27.162 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.152 38.668 25.582 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.897 40.009 25.484 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.106 39.330 29.065 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.744 41.980 26.578 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.943 41.301 30.147 1.00 0.00 H new ATOM 0 HH TYR A 65 4.015 42.580 29.934 1.00 0.00 H new ATOM 1084 N SER A 66 5.632 36.460 24.065 1.00 0.00 N ATOM 1085 CA SER A 66 5.051 36.460 22.732 1.00 0.00 C ATOM 1086 C SER A 66 3.590 36.010 22.799 1.00 0.00 C ATOM 1087 O SER A 66 2.793 36.344 21.924 1.00 0.00 O ATOM 1088 CB SER A 66 5.843 35.554 21.787 1.00 0.00 C ATOM 1089 OG SER A 66 5.156 35.337 20.557 1.00 0.00 O ATOM 0 H SER A 66 6.415 35.819 24.189 1.00 0.00 H new ATOM 0 HA SER A 66 5.094 37.476 22.339 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.816 36.002 21.585 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.028 34.596 22.273 1.00 0.00 H new ATOM 0 HG SER A 66 5.694 34.755 19.980 1.00 0.00 H new ATOM 1095 N LEU A 67 3.283 35.257 23.845 1.00 0.00 N ATOM 1096 CA LEU A 67 1.932 34.758 24.038 1.00 0.00 C ATOM 1097 C LEU A 67 1.146 35.746 24.902 1.00 0.00 C ATOM 1098 O LEU A 67 -0.083 35.717 24.922 1.00 0.00 O ATOM 1099 CB LEU A 67 1.962 33.336 24.602 1.00 0.00 C ATOM 1100 CG LEU A 67 0.603 32.653 24.771 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.771 31.153 25.018 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.215 33.327 25.875 1.00 0.00 C ATOM 0 H LEU A 67 3.947 34.980 24.568 1.00 0.00 H new ATOM 0 HA LEU A 67 1.412 34.687 23.083 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.577 32.719 23.947 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.457 33.362 25.573 1.00 0.00 H new ATOM 0 HG LEU A 67 0.045 32.766 23.841 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.210 30.691 25.135 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.287 30.700 24.171 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.356 30.997 25.925 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.176 32.823 25.975 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.327 33.265 26.819 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.379 34.374 25.619 1.00 0.00 H new ATOM 1114 N LEU A 68 1.888 36.598 25.595 1.00 0.00 N ATOM 1115 CA LEU A 68 1.276 37.593 26.458 1.00 0.00 C ATOM 1116 C LEU A 68 0.469 38.575 25.606 1.00 0.00 C ATOM 1117 O LEU A 68 -0.743 38.695 25.771 1.00 0.00 O ATOM 1118 CB LEU A 68 2.334 38.265 27.335 1.00 0.00 C ATOM 1119 CG LEU A 68 2.394 37.797 28.791 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.287 38.717 29.626 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.990 37.669 29.384 1.00 0.00 C ATOM 0 H LEU A 68 2.908 36.619 25.576 1.00 0.00 H new ATOM 0 HA LEU A 68 0.577 37.120 27.148 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.311 38.101 26.881 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.155 39.340 27.327 1.00 0.00 H new ATOM 0 HG LEU A 68 2.844 36.805 28.813 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.312 38.362 30.656 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.297 38.714 29.216 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.889 39.731 29.601 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.061 37.335 30.419 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.490 38.637 29.349 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.416 36.943 28.807 1.00 0.00 H new ATOM 1133 N ALA A 69 1.177 39.253 24.714 1.00 0.00 N ATOM 1134 CA ALA A 69 0.542 40.221 23.835 1.00 0.00 C ATOM 1135 C ALA A 69 -0.629 39.555 23.111 1.00 0.00 C ATOM 1136 O ALA A 69 -1.526 40.235 22.615 1.00 0.00 O ATOM 1137 CB ALA A 69 1.581 40.787 22.865 1.00 0.00 C ATOM 0 H ALA A 69 2.183 39.151 24.581 1.00 0.00 H new ATOM 0 HA ALA A 69 0.142 41.057 24.409 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.106 41.513 22.205 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.377 41.275 23.428 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.002 39.977 22.269 1.00 0.00 H new ATOM 1143 N SER A 70 -0.585 38.231 23.073 1.00 0.00 N ATOM 1144 CA SER A 70 -1.632 37.465 22.419 1.00 0.00 C ATOM 1145 C SER A 70 -2.895 37.460 23.282 1.00 0.00 C ATOM 1146 O SER A 70 -4.001 37.626 22.770 1.00 0.00 O ATOM 1147 CB SER A 70 -1.174 36.032 22.140 1.00 0.00 C ATOM 1148 OG SER A 70 -1.963 35.405 21.134 1.00 0.00 O ATOM 0 H SER A 70 0.160 37.669 23.485 1.00 0.00 H new ATOM 0 HA SER A 70 -1.855 37.939 21.463 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.129 36.040 21.829 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.229 35.449 23.059 1.00 0.00 H new ATOM 0 HG SER A 70 -1.638 34.493 20.984 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.688 37.270 24.576 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.796 37.241 25.515 1.00 0.00 C ATOM 1156 C LEU A 71 -4.615 38.526 25.370 1.00 0.00 C ATOM 1157 O LEU A 71 -5.844 38.490 25.409 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.288 36.993 26.936 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.743 35.687 27.593 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.586 34.691 27.690 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.386 35.953 28.955 1.00 0.00 C ATOM 0 H LEU A 71 -1.769 37.134 24.997 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.464 36.409 25.291 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.198 37.007 26.919 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.608 37.824 27.565 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.506 35.234 26.960 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.936 33.772 28.160 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.213 34.468 26.690 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.784 35.122 28.289 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.700 35.009 29.400 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.663 36.440 29.610 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.254 36.600 28.828 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.901 39.629 25.207 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.545 40.923 25.055 1.00 0.00 C ATOM 1175 C ILE A 72 -5.637 40.822 23.990 1.00 0.00 C ATOM 1176 O ILE A 72 -5.342 40.757 22.797 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.506 42.009 24.771 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.429 42.036 25.857 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -4.174 43.373 24.593 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.544 43.276 25.721 1.00 0.00 C ATOM 0 H ILE A 72 -2.882 39.654 25.177 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.033 41.217 25.984 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.009 41.768 23.831 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.899 42.026 26.840 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.815 41.138 25.788 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.413 44.127 24.392 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.872 43.330 23.757 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.714 43.635 25.503 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.787 43.270 26.505 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.057 43.270 24.746 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.157 44.172 25.815 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.910 40.811 24.469 1.00 0.00 N ATOM 1193 CA PRO A 73 -8.048 40.720 23.571 1.00 0.00 C ATOM 1194 C PRO A 73 -8.292 42.050 22.856 1.00 0.00 C ATOM 1195 O PRO A 73 -8.748 43.014 23.470 1.00 0.00 O ATOM 1196 CB PRO A 73 -9.212 40.297 24.453 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.793 40.617 25.878 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.297 40.886 25.875 1.00 0.00 C ATOM 0 HA PRO A 73 -7.892 40.001 22.767 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.121 40.834 24.183 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.423 39.234 24.337 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.336 41.486 26.250 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.030 39.785 26.541 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.070 41.865 26.297 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.761 40.149 26.473 1.00 0.00 H new ATOM 1206 N LYS A 74 -7.977 42.061 21.570 1.00 0.00 N ATOM 1207 CA LYS A 74 -8.156 43.258 20.765 1.00 0.00 C ATOM 1208 C LYS A 74 -7.784 44.486 21.598 1.00 0.00 C ATOM 1209 O LYS A 74 -8.624 45.348 21.849 1.00 0.00 O ATOM 1210 CB LYS A 74 -9.573 43.310 20.191 1.00 0.00 C ATOM 1211 CG LYS A 74 -9.786 44.585 19.372 1.00 0.00 C ATOM 1212 CD LYS A 74 -10.232 44.253 17.947 1.00 0.00 C ATOM 1213 CE LYS A 74 -10.702 45.511 17.212 1.00 0.00 C ATOM 1214 NZ LYS A 74 -11.932 46.046 17.838 1.00 0.00 N ATOM 0 H LYS A 74 -7.599 41.260 21.065 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.489 43.242 19.903 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.747 42.436 19.563 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.300 43.269 21.002 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.536 45.211 19.855 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.861 45.161 19.343 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.407 43.796 17.401 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.039 43.521 17.976 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.917 46.267 17.234 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.891 45.278 16.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.424 46.666 17.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.557 45.258 18.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.681 46.590 18.688 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.522 44.528 22.002 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.028 45.637 22.800 1.00 0.00 C ATOM 1229 C GLY A 75 -6.745 45.703 24.150 1.00 0.00 C ATOM 1230 O GLY A 75 -7.866 45.213 24.287 1.00 0.00 O ATOM 0 H GLY A 75 -5.827 43.812 21.791 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.955 45.526 22.959 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.175 46.572 22.260 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.069 46.312 25.113 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.628 46.448 26.447 1.00 0.00 C ATOM 1236 C TYR A 76 -6.626 47.911 26.896 1.00 0.00 C ATOM 1237 O TYR A 76 -6.042 48.766 26.233 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.713 45.642 27.371 1.00 0.00 C ATOM 1239 CG TYR A 76 -6.442 44.582 28.199 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.511 43.898 27.657 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -6.030 44.308 29.487 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -8.196 42.899 28.434 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -6.716 43.310 30.267 1.00 0.00 C ATOM 1244 CZ TYR A 76 -7.765 42.654 29.701 1.00 0.00 C ATOM 1245 OH TYR A 76 -8.414 41.711 30.436 1.00 0.00 O ATOM 0 H TYR A 76 -5.140 46.717 24.996 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.659 46.096 26.469 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.945 45.154 26.770 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.201 46.327 28.047 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.834 44.113 26.649 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.192 44.842 29.911 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.033 42.356 28.021 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.405 43.088 31.277 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.974 41.165 29.846 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.304 48.160 28.049 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.385 49.504 28.595 1.00 0.00 C ATOM 1257 C PRO A 77 -6.062 49.914 29.243 1.00 0.00 C ATOM 1258 O PRO A 77 -5.046 49.245 29.064 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.542 49.459 29.580 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.764 47.988 29.895 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.007 47.171 28.861 1.00 0.00 C ATOM 0 HA PRO A 77 -7.561 50.259 27.829 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.307 50.021 30.484 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.438 49.906 29.150 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.410 47.755 30.899 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.827 47.748 29.868 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.310 46.480 29.335 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.687 46.572 28.255 1.00 0.00 H new ATOM 1269 N GLY A 78 -6.117 51.011 29.983 1.00 0.00 N ATOM 1270 CA GLY A 78 -4.937 51.518 30.660 1.00 0.00 C ATOM 1271 C GLY A 78 -3.746 51.595 29.701 1.00 0.00 C ATOM 1272 O GLY A 78 -3.907 51.431 28.492 1.00 0.00 O ATOM 0 H GLY A 78 -6.962 51.563 30.129 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.144 52.507 31.068 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.690 50.871 31.502 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.579 51.846 30.275 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.362 51.948 29.487 1.00 0.00 C ATOM 1278 C ARG A 79 -0.553 50.654 29.593 1.00 0.00 C ATOM 1279 O ARG A 79 0.638 50.636 29.286 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.499 53.120 29.955 1.00 0.00 C ATOM 1281 CG ARG A 79 -0.554 53.271 31.476 1.00 0.00 C ATOM 1282 CD ARG A 79 -1.752 54.123 31.900 1.00 0.00 C ATOM 1283 NE ARG A 79 -1.293 55.469 32.315 1.00 0.00 N ATOM 1284 CZ ARG A 79 -0.930 55.789 33.575 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -0.969 54.863 34.556 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -0.536 57.023 33.833 1.00 0.00 N ATOM 0 H ARG A 79 -2.450 51.982 31.278 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.651 52.117 28.450 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.533 52.965 29.639 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.843 54.040 29.482 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.621 52.287 31.940 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.368 53.730 31.833 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.458 54.209 31.074 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.280 53.640 32.722 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.249 56.199 31.604 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.275 53.912 34.348 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.693 55.114 35.505 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.510 57.717 33.086 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.258 57.282 34.780 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.232 49.602 30.029 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.589 48.307 30.179 1.00 0.00 C ATOM 1301 C VAL A 80 -0.084 47.832 28.816 1.00 0.00 C ATOM 1302 O VAL A 80 1.064 47.408 28.688 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.554 47.319 30.837 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.755 46.082 29.959 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -1.068 46.925 32.234 1.00 0.00 C ATOM 0 H VAL A 80 -2.220 49.620 30.283 1.00 0.00 H new ATOM 0 HA VAL A 80 0.277 48.383 30.837 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.519 47.815 30.945 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.445 45.396 30.450 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.166 46.383 28.995 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.797 45.585 29.806 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.772 46.222 32.679 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.086 46.457 32.159 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.999 47.815 32.860 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.965 47.919 27.830 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.624 47.503 26.481 1.00 0.00 C ATOM 1317 C VAL A 81 0.447 48.441 25.919 1.00 0.00 C ATOM 1318 O VAL A 81 1.362 48.000 25.226 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.883 47.448 25.614 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.571 46.884 24.227 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.985 46.637 26.301 1.00 0.00 C ATOM 0 H VAL A 81 -1.916 48.272 27.939 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.206 46.496 26.487 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.246 48.468 25.486 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.484 46.856 23.632 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.835 47.519 23.733 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.172 45.875 24.326 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.870 46.613 25.664 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.634 45.620 26.474 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.237 47.100 27.255 1.00 0.00 H new ATOM 1331 N GLU A 82 0.296 49.719 26.238 1.00 0.00 N ATOM 1332 CA GLU A 82 1.238 50.723 25.773 1.00 0.00 C ATOM 1333 C GLU A 82 2.663 50.340 26.177 1.00 0.00 C ATOM 1334 O GLU A 82 3.615 50.621 25.450 1.00 0.00 O ATOM 1335 CB GLU A 82 0.870 52.108 26.308 1.00 0.00 C ATOM 1336 CG GLU A 82 1.832 53.173 25.778 1.00 0.00 C ATOM 1337 CD GLU A 82 1.430 54.567 26.263 1.00 0.00 C ATOM 1338 OE1 GLU A 82 1.294 55.492 25.449 1.00 0.00 O ATOM 1339 OE2 GLU A 82 1.254 54.670 27.537 1.00 0.00 O ATOM 0 H GLU A 82 -0.465 50.082 26.813 1.00 0.00 H new ATOM 0 HA GLU A 82 1.188 50.765 24.685 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.150 52.356 26.015 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.895 52.100 27.398 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.846 52.948 26.108 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.839 53.151 24.688 1.00 0.00 H new ATOM 1347 N ILE A 83 2.765 49.704 27.335 1.00 0.00 N ATOM 1348 CA ILE A 83 4.059 49.280 27.845 1.00 0.00 C ATOM 1349 C ILE A 83 4.503 48.016 27.106 1.00 0.00 C ATOM 1350 O ILE A 83 5.685 47.675 27.108 1.00 0.00 O ATOM 1351 CB ILE A 83 4.010 49.119 29.365 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.435 50.372 30.031 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.386 48.754 29.923 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.621 50.007 31.275 1.00 0.00 C ATOM 0 H ILE A 83 1.973 49.472 27.935 1.00 0.00 H new ATOM 0 HA ILE A 83 4.813 50.044 27.654 1.00 0.00 H new ATOM 0 HB ILE A 83 3.339 48.293 29.599 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.246 51.046 30.307 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.803 50.907 29.322 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.322 48.646 31.006 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.719 47.814 29.483 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.098 49.542 29.678 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.224 50.915 31.729 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.797 49.353 30.991 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.262 49.493 31.992 1.00 0.00 H new ATOM 1366 N ILE A 84 3.532 47.355 26.494 1.00 0.00 N ATOM 1367 CA ILE A 84 3.808 46.135 25.753 1.00 0.00 C ATOM 1368 C ILE A 84 4.148 46.490 24.304 1.00 0.00 C ATOM 1369 O ILE A 84 5.010 45.861 23.693 1.00 0.00 O ATOM 1370 CB ILE A 84 2.644 45.152 25.889 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.372 44.824 27.358 1.00 0.00 C ATOM 1372 CG2 ILE A 84 2.893 43.892 25.057 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.139 43.931 27.502 1.00 0.00 C ATOM 0 H ILE A 84 2.553 47.641 26.496 1.00 0.00 H new ATOM 0 HA ILE A 84 4.677 45.624 26.168 1.00 0.00 H new ATOM 0 HB ILE A 84 1.746 45.628 25.494 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.239 44.324 27.789 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.224 45.747 27.919 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.051 43.209 25.170 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.000 44.165 24.007 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.805 43.404 25.400 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.969 43.713 28.556 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.269 44.443 27.092 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.300 42.999 26.960 1.00 0.00 H new ATOM 1385 N ASN A 85 3.452 47.497 23.796 1.00 0.00 N ATOM 1386 CA ASN A 85 3.670 47.942 22.430 1.00 0.00 C ATOM 1387 C ASN A 85 5.154 48.252 22.229 1.00 0.00 C ATOM 1388 O ASN A 85 5.676 48.120 21.122 1.00 0.00 O ATOM 1389 CB ASN A 85 2.877 49.217 22.135 1.00 0.00 C ATOM 1390 CG ASN A 85 1.485 48.884 21.595 1.00 0.00 C ATOM 1391 OD1 ASN A 85 1.242 47.823 21.044 1.00 0.00 O ATOM 1392 ND2 ASN A 85 0.588 49.847 21.781 1.00 0.00 N ATOM 0 H ASN A 85 2.737 48.017 24.305 1.00 0.00 H new ATOM 0 HA ASN A 85 3.341 47.148 21.760 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.786 49.811 23.044 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.417 49.825 21.409 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.370 49.721 21.455 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.858 50.712 22.250 1.00 0.00 H new ATOM 1399 N ILE A 86 5.795 48.657 23.317 1.00 0.00 N ATOM 1400 CA ILE A 86 7.209 48.986 23.274 1.00 0.00 C ATOM 1401 C ILE A 86 8.018 47.708 23.049 1.00 0.00 C ATOM 1402 O ILE A 86 9.089 47.745 22.444 1.00 0.00 O ATOM 1403 CB ILE A 86 7.617 49.761 24.528 1.00 0.00 C ATOM 1404 CG1 ILE A 86 7.172 51.221 24.440 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.120 49.633 24.786 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.925 51.805 25.832 1.00 0.00 C ATOM 0 H ILE A 86 5.360 48.764 24.233 1.00 0.00 H new ATOM 0 HA ILE A 86 7.421 49.649 22.436 1.00 0.00 H new ATOM 0 HB ILE A 86 7.105 49.321 25.384 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.934 51.807 23.926 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.261 51.292 23.845 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.384 50.193 25.683 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.377 48.583 24.925 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.671 50.032 23.934 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.610 52.844 25.740 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.145 51.232 26.334 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.844 51.755 26.416 1.00 0.00 H new ATOM 1418 N LEU A 87 7.477 46.607 23.550 1.00 0.00 N ATOM 1419 CA LEU A 87 8.136 45.319 23.412 1.00 0.00 C ATOM 1420 C LEU A 87 7.973 44.818 21.976 1.00 0.00 C ATOM 1421 O LEU A 87 8.925 44.323 21.374 1.00 0.00 O ATOM 1422 CB LEU A 87 7.621 44.338 24.467 1.00 0.00 C ATOM 1423 CG LEU A 87 7.494 44.888 25.890 1.00 0.00 C ATOM 1424 CD1 LEU A 87 6.862 43.854 26.823 1.00 0.00 C ATOM 1425 CD2 LEU A 87 8.846 45.380 26.411 1.00 0.00 C ATOM 0 H LEU A 87 6.590 46.580 24.052 1.00 0.00 H new ATOM 0 HA LEU A 87 9.206 45.417 23.596 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.643 43.975 24.150 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.288 43.477 24.490 1.00 0.00 H new ATOM 0 HG LEU A 87 6.826 45.749 25.865 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.783 44.270 27.827 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.868 43.595 26.459 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.484 42.959 26.849 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.727 45.766 27.424 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.556 44.553 26.419 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.219 46.173 25.762 1.00 0.00 H new ATOM 1437 N VAL A 88 6.758 44.964 21.466 1.00 0.00 N ATOM 1438 CA VAL A 88 6.457 44.533 20.112 1.00 0.00 C ATOM 1439 C VAL A 88 7.274 45.367 19.123 1.00 0.00 C ATOM 1440 O VAL A 88 7.940 44.820 18.245 1.00 0.00 O ATOM 1441 CB VAL A 88 4.950 44.612 19.860 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.646 44.642 18.361 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.218 43.458 20.546 1.00 0.00 C ATOM 0 H VAL A 88 5.971 45.375 21.967 1.00 0.00 H new ATOM 0 HA VAL A 88 6.742 43.490 19.971 1.00 0.00 H new ATOM 0 HB VAL A 88 4.586 45.543 20.294 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.568 44.698 18.209 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.122 45.513 17.911 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.031 43.736 17.893 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.149 43.538 20.351 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.588 42.510 20.156 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.395 43.502 21.621 1.00 0.00 H new ATOM 1453 N LYS A 89 7.195 46.678 19.298 1.00 0.00 N ATOM 1454 CA LYS A 89 7.919 47.593 18.432 1.00 0.00 C ATOM 1455 C LYS A 89 9.406 47.231 18.442 1.00 0.00 C ATOM 1456 O LYS A 89 10.127 47.530 17.492 1.00 0.00 O ATOM 1457 CB LYS A 89 7.637 49.043 18.829 1.00 0.00 C ATOM 1458 CG LYS A 89 7.694 49.967 17.611 1.00 0.00 C ATOM 1459 CD LYS A 89 7.693 51.437 18.036 1.00 0.00 C ATOM 1460 CE LYS A 89 7.131 52.328 16.927 1.00 0.00 C ATOM 1461 NZ LYS A 89 6.323 53.425 17.502 1.00 0.00 N ATOM 0 H LYS A 89 6.641 47.128 20.026 1.00 0.00 H new ATOM 0 HA LYS A 89 7.574 47.495 17.403 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.654 49.111 19.296 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.366 49.369 19.571 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.591 49.754 17.030 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.840 49.772 16.962 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.097 51.557 18.941 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.709 51.750 18.279 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.948 52.742 16.336 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.518 51.733 16.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.949 54.020 16.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.532 53.025 18.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.918 54.003 18.129 1.00 0.00 H new ATOM 1474 N ASN A 90 9.819 46.591 19.526 1.00 0.00 N ATOM 1475 CA ASN A 90 11.206 46.185 19.673 1.00 0.00 C ATOM 1476 C ASN A 90 11.499 45.031 18.712 1.00 0.00 C ATOM 1477 O ASN A 90 12.622 44.890 18.230 1.00 0.00 O ATOM 1478 CB ASN A 90 11.490 45.700 21.096 1.00 0.00 C ATOM 1479 CG ASN A 90 12.992 45.702 21.386 1.00 0.00 C ATOM 1480 OD1 ASN A 90 13.540 46.635 21.951 1.00 0.00 O ATOM 1481 ND2 ASN A 90 13.626 44.609 20.969 1.00 0.00 N ATOM 0 H ASN A 90 9.217 46.344 20.311 1.00 0.00 H new ATOM 0 HA ASN A 90 11.835 47.048 19.454 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.977 46.342 21.812 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.092 44.694 21.227 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.631 44.515 21.116 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.107 43.865 20.503 1.00 0.00 H new