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 Single : A 21 THR OG1 : rot 36:sc= 0.28 USER MOD Single : A 22 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.35) USER MOD Single : A 23 HIS : no HD1:sc= -3.22! K(o=-3.2!,f=-2.1) USER MOD Single : A 26 ASN : amide:sc= -2 K(o=-2,f=-2.7) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0728 X(o=-0.073,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -1.16 (180deg=-1.38) USER MOD Single : A 56 THR OG1 : rot -160:sc= -0.0306 USER MOD Single : A 61 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 65 TYR OH : rot -70:sc= -2.6! USER MOD Single : A 66 SER OG : rot 86:sc= 0.705 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 15:sc= -0.141 USER MOD Single : A 85 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc=-0.00832 X(o=-0.0083,f=0) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 12.102 35.739 36.170 1.00 0.00 N ATOM 313 CA THR A 21 12.706 37.049 35.992 1.00 0.00 C ATOM 314 C THR A 21 13.157 37.236 34.542 1.00 0.00 C ATOM 315 O THR A 21 13.094 36.302 33.744 1.00 0.00 O ATOM 316 CB THR A 21 13.845 37.185 37.005 1.00 0.00 C ATOM 317 OG1 THR A 21 13.205 37.035 38.269 1.00 0.00 O ATOM 318 CG2 THR A 21 14.426 38.599 37.045 1.00 0.00 C ATOM 0 HA THR A 21 11.986 37.846 36.181 1.00 0.00 H new ATOM 0 HB THR A 21 14.635 36.475 36.761 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.480 36.380 38.193 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.230 38.641 37.779 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.818 38.859 36.062 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.644 39.306 37.322 1.00 0.00 H new ATOM 326 N HIS A 22 13.600 38.448 34.246 1.00 0.00 N ATOM 327 CA HIS A 22 14.061 38.770 32.906 1.00 0.00 C ATOM 328 C HIS A 22 12.860 39.090 32.013 1.00 0.00 C ATOM 329 O HIS A 22 12.822 40.138 31.370 1.00 0.00 O ATOM 330 CB HIS A 22 14.932 37.643 32.346 1.00 0.00 C ATOM 331 CG HIS A 22 16.253 38.111 31.786 1.00 0.00 C ATOM 332 ND1 HIS A 22 16.398 39.307 31.105 1.00 0.00 N ATOM 333 CD2 HIS A 22 17.488 37.531 31.811 1.00 0.00 C ATOM 334 CE1 HIS A 22 17.667 39.431 30.742 1.00 0.00 C ATOM 335 NE2 HIS A 22 18.340 38.328 31.180 1.00 0.00 N ATOM 0 H HIS A 22 13.650 39.220 34.911 1.00 0.00 H new ATOM 0 HA HIS A 22 14.693 39.658 32.938 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.121 36.916 33.136 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.379 37.125 31.562 1.00 0.00 H new ATOM 0 HD2 HIS A 22 17.731 36.583 32.268 1.00 0.00 H new ATOM 0 HE1 HIS A 22 18.093 40.259 30.196 1.00 0.00 H new ATOM 0 HE2 HIS A 22 19.334 38.146 31.045 1.00 0.00 H new ATOM 343 N HIS A 23 11.907 38.169 32.004 1.00 0.00 N ATOM 344 CA HIS A 23 10.709 38.340 31.201 1.00 0.00 C ATOM 345 C HIS A 23 9.917 39.546 31.712 1.00 0.00 C ATOM 346 O HIS A 23 9.528 40.413 30.932 1.00 0.00 O ATOM 347 CB HIS A 23 9.881 37.054 31.179 1.00 0.00 C ATOM 348 CG HIS A 23 8.653 37.099 32.055 1.00 0.00 C ATOM 349 ND1 HIS A 23 7.368 37.158 31.543 1.00 0.00 N ATOM 350 CD2 HIS A 23 8.525 37.092 33.414 1.00 0.00 C ATOM 351 CE1 HIS A 23 6.515 37.185 32.556 1.00 0.00 C ATOM 352 NE2 HIS A 23 7.234 37.146 33.715 1.00 0.00 N ATOM 0 H HIS A 23 11.941 37.302 32.540 1.00 0.00 H new ATOM 0 HA HIS A 23 10.986 38.542 30.166 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.575 36.848 30.153 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.511 36.223 31.497 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.337 37.050 34.124 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.439 37.230 32.478 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.843 37.157 34.657 1.00 0.00 H new ATOM 360 N TRP A 24 9.703 39.561 33.019 1.00 0.00 N ATOM 361 CA TRP A 24 8.964 40.646 33.643 1.00 0.00 C ATOM 362 C TRP A 24 9.822 41.911 33.559 1.00 0.00 C ATOM 363 O TRP A 24 9.318 42.985 33.233 1.00 0.00 O ATOM 364 CB TRP A 24 8.569 40.286 35.077 1.00 0.00 C ATOM 365 CG TRP A 24 8.058 41.472 35.898 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.593 42.000 37.007 1.00 0.00 C ATOM 367 CD2 TRP A 24 6.880 42.262 35.626 1.00 0.00 C ATOM 368 NE1 TRP A 24 7.849 43.067 37.469 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.775 43.231 36.603 1.00 0.00 C ATOM 370 CE3 TRP A 24 5.936 42.160 34.591 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.740 44.172 36.639 1.00 0.00 C ATOM 372 CZ3 TRP A 24 4.907 43.109 34.641 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.787 44.090 35.617 1.00 0.00 C ATOM 0 H TRP A 24 10.028 38.840 33.663 1.00 0.00 H new ATOM 0 HA TRP A 24 8.025 40.826 33.119 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.797 39.518 35.048 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.432 39.852 35.583 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.493 41.637 37.480 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.051 43.631 38.294 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.999 41.409 33.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.680 44.922 37.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.155 43.076 33.867 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.962 44.786 35.587 1.00 0.00 H new ATOM 384 N LEU A 25 11.101 41.741 33.858 1.00 0.00 N ATOM 385 CA LEU A 25 12.033 42.856 33.820 1.00 0.00 C ATOM 386 C LEU A 25 11.939 43.547 32.458 1.00 0.00 C ATOM 387 O LEU A 25 12.185 44.747 32.348 1.00 0.00 O ATOM 388 CB LEU A 25 13.444 42.387 34.177 1.00 0.00 C ATOM 389 CG LEU A 25 14.394 43.463 34.707 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.679 44.388 35.694 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.648 42.834 35.317 1.00 0.00 C ATOM 0 H LEU A 25 11.514 40.848 34.128 1.00 0.00 H new ATOM 0 HA LEU A 25 11.770 43.599 34.573 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.365 41.599 34.926 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.892 41.940 33.290 1.00 0.00 H new ATOM 0 HG LEU A 25 14.717 44.077 33.867 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.377 45.143 36.055 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.842 44.876 35.194 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.308 43.804 36.536 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.307 43.620 35.686 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.363 42.182 36.143 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.169 42.251 34.557 1.00 0.00 H new ATOM 403 N ASN A 26 11.584 42.758 31.453 1.00 0.00 N ATOM 404 CA ASN A 26 11.455 43.279 30.103 1.00 0.00 C ATOM 405 C ASN A 26 10.240 44.206 30.032 1.00 0.00 C ATOM 406 O ASN A 26 10.158 45.061 29.152 1.00 0.00 O ATOM 407 CB ASN A 26 11.248 42.147 29.094 1.00 0.00 C ATOM 408 CG ASN A 26 11.264 42.681 27.661 1.00 0.00 C ATOM 409 OD1 ASN A 26 11.959 43.627 27.330 1.00 0.00 O ATOM 410 ND2 ASN A 26 10.460 42.024 26.830 1.00 0.00 N ATOM 0 H ASN A 26 11.382 41.763 31.547 1.00 0.00 H new ATOM 0 HA ASN A 26 12.372 43.816 29.859 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.031 41.399 29.216 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.298 41.649 29.290 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.399 42.304 25.851 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.904 41.240 27.171 1.00 0.00 H new ATOM 417 N PHE A 27 9.325 44.003 30.969 1.00 0.00 N ATOM 418 CA PHE A 27 8.118 44.809 31.023 1.00 0.00 C ATOM 419 C PHE A 27 8.311 46.024 31.932 1.00 0.00 C ATOM 420 O PHE A 27 7.809 47.108 31.640 1.00 0.00 O ATOM 421 CB PHE A 27 7.014 43.923 31.603 1.00 0.00 C ATOM 422 CG PHE A 27 5.600 44.340 31.191 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.970 45.347 31.851 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.975 43.702 30.165 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.658 45.734 31.468 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.663 44.089 29.782 1.00 0.00 C ATOM 427 CZ PHE A 27 3.033 45.097 30.443 1.00 0.00 C ATOM 0 H PHE A 27 9.396 43.292 31.697 1.00 0.00 H new ATOM 0 HA PHE A 27 7.867 45.171 30.026 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.185 42.894 31.287 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.084 43.938 32.691 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.466 45.853 32.666 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.476 42.901 29.642 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.157 46.535 31.992 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.166 43.583 28.967 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.035 45.391 30.153 1.00 0.00 H new ATOM 437 N LEU A 28 9.038 45.802 33.017 1.00 0.00 N ATOM 438 CA LEU A 28 9.303 46.866 33.971 1.00 0.00 C ATOM 439 C LEU A 28 10.209 47.914 33.321 1.00 0.00 C ATOM 440 O LEU A 28 10.129 49.097 33.649 1.00 0.00 O ATOM 441 CB LEU A 28 9.866 46.289 35.272 1.00 0.00 C ATOM 442 CG LEU A 28 9.644 47.133 36.529 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.213 47.672 36.582 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.006 46.344 37.789 1.00 0.00 C ATOM 0 H LEU A 28 9.452 44.901 33.257 1.00 0.00 H new ATOM 0 HA LEU A 28 8.377 47.371 34.246 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.421 45.307 35.434 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.938 46.136 35.145 1.00 0.00 H new ATOM 0 HG LEU A 28 10.311 47.994 36.485 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.082 48.268 37.485 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.026 48.294 35.706 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.510 46.839 36.592 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.839 46.966 38.668 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.382 45.452 37.852 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.055 46.051 37.746 1.00 0.00 H new ATOM 456 N GLN A 29 11.047 47.443 32.410 1.00 0.00 N ATOM 457 CA GLN A 29 11.966 48.325 31.712 1.00 0.00 C ATOM 458 C GLN A 29 11.195 49.271 30.788 1.00 0.00 C ATOM 459 O GLN A 29 11.389 50.484 30.835 1.00 0.00 O ATOM 460 CB GLN A 29 13.008 47.524 30.928 1.00 0.00 C ATOM 461 CG GLN A 29 14.389 47.636 31.578 1.00 0.00 C ATOM 462 CD GLN A 29 15.311 46.512 31.103 1.00 0.00 C ATOM 463 OE1 GLN A 29 15.656 45.603 31.840 1.00 0.00 O ATOM 464 NE2 GLN A 29 15.692 46.626 29.834 1.00 0.00 N ATOM 0 H GLN A 29 11.109 46.462 32.139 1.00 0.00 H new ATOM 0 HA GLN A 29 12.497 48.923 32.453 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.708 46.477 30.882 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.055 47.888 29.902 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.832 48.602 31.335 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.289 47.595 32.663 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.366 47.413 29.272 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.310 45.927 29.422 1.00 0.00 H new ATOM 473 N ALA A 30 10.337 48.679 29.972 1.00 0.00 N ATOM 474 CA ALA A 30 9.536 49.453 29.039 1.00 0.00 C ATOM 475 C ALA A 30 8.675 50.450 29.818 1.00 0.00 C ATOM 476 O ALA A 30 8.584 51.620 29.447 1.00 0.00 O ATOM 477 CB ALA A 30 8.696 48.507 28.178 1.00 0.00 C ATOM 0 H ALA A 30 10.178 47.672 29.937 1.00 0.00 H new ATOM 0 HA ALA A 30 10.176 50.024 28.366 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.095 49.088 27.478 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.355 47.839 27.623 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.039 47.919 28.819 1.00 0.00 H new ATOM 483 N ALA A 31 8.066 49.951 30.883 1.00 0.00 N ATOM 484 CA ALA A 31 7.216 50.784 31.718 1.00 0.00 C ATOM 485 C ALA A 31 8.058 51.896 32.346 1.00 0.00 C ATOM 486 O ALA A 31 7.516 52.865 32.877 1.00 0.00 O ATOM 487 CB ALA A 31 6.523 49.914 32.769 1.00 0.00 C ATOM 0 H ALA A 31 8.144 48.981 31.187 1.00 0.00 H new ATOM 0 HA ALA A 31 6.437 51.257 31.121 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.886 50.538 33.395 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.915 49.158 32.272 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.274 49.425 33.389 1.00 0.00 H new ATOM 493 N TYR A 32 9.369 51.720 32.266 1.00 0.00 N ATOM 494 CA TYR A 32 10.290 52.696 32.821 1.00 0.00 C ATOM 495 C TYR A 32 10.770 53.672 31.742 1.00 0.00 C ATOM 496 O TYR A 32 11.238 54.765 32.053 1.00 0.00 O ATOM 497 CB TYR A 32 11.489 51.899 33.339 1.00 0.00 C ATOM 498 CG TYR A 32 11.755 52.077 34.835 1.00 0.00 C ATOM 499 CD1 TYR A 32 12.219 53.285 35.315 1.00 0.00 C ATOM 500 CD2 TYR A 32 11.529 51.030 35.704 1.00 0.00 C ATOM 501 CE1 TYR A 32 12.470 53.452 36.722 1.00 0.00 C ATOM 502 CE2 TYR A 32 11.778 51.197 37.113 1.00 0.00 C ATOM 503 CZ TYR A 32 12.237 52.400 37.552 1.00 0.00 C ATOM 504 OH TYR A 32 12.473 52.558 38.882 1.00 0.00 O ATOM 0 H TYR A 32 9.815 50.916 31.825 1.00 0.00 H new ATOM 0 HA TYR A 32 9.805 53.278 33.605 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.326 50.841 33.133 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.378 52.198 32.784 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.394 54.105 34.634 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.165 50.085 35.328 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.835 54.391 37.110 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.604 50.386 37.805 1.00 0.00 H new ATOM 0 HH TYR A 32 12.262 51.725 39.353 1.00 0.00 H new ATOM 514 N ARG A 33 10.636 53.239 30.497 1.00 0.00 N ATOM 515 CA ARG A 33 11.049 54.060 29.372 1.00 0.00 C ATOM 516 C ARG A 33 9.942 55.049 29.001 1.00 0.00 C ATOM 517 O ARG A 33 10.218 56.126 28.475 1.00 0.00 O ATOM 518 CB ARG A 33 11.381 53.196 28.153 1.00 0.00 C ATOM 519 CG ARG A 33 11.621 54.063 26.915 1.00 0.00 C ATOM 520 CD ARG A 33 12.868 54.934 27.090 1.00 0.00 C ATOM 521 NE ARG A 33 12.474 56.322 27.419 1.00 0.00 N ATOM 522 CZ ARG A 33 13.317 57.251 27.915 1.00 0.00 C ATOM 523 NH1 ARG A 33 14.613 56.947 28.145 1.00 0.00 N ATOM 524 NH2 ARG A 33 12.858 58.462 28.172 1.00 0.00 N ATOM 0 H ARG A 33 10.247 52.331 30.243 1.00 0.00 H new ATOM 0 HA ARG A 33 11.943 54.607 29.671 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.268 52.596 28.359 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.563 52.501 27.962 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.737 53.427 26.038 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.752 54.697 26.736 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.497 54.528 27.883 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.461 54.923 26.175 1.00 0.00 H new ATOM 0 HE ARG A 33 11.504 56.593 27.261 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.960 56.009 27.943 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.244 57.655 28.520 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.878 58.684 27.995 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.483 59.175 28.547 1.00 0.00 H new ATOM 537 N LEU A 34 8.712 54.647 29.289 1.00 0.00 N ATOM 538 CA LEU A 34 7.563 55.485 28.992 1.00 0.00 C ATOM 539 C LEU A 34 7.478 56.611 30.024 1.00 0.00 C ATOM 540 O LEU A 34 8.467 56.931 30.682 1.00 0.00 O ATOM 541 CB LEU A 34 6.292 54.637 28.901 1.00 0.00 C ATOM 542 CG LEU A 34 6.358 53.428 27.965 1.00 0.00 C ATOM 543 CD1 LEU A 34 5.118 52.545 28.121 1.00 0.00 C ATOM 544 CD2 LEU A 34 6.571 53.868 26.515 1.00 0.00 C ATOM 0 H LEU A 34 8.487 53.753 29.725 1.00 0.00 H new ATOM 0 HA LEU A 34 7.676 55.955 28.015 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.042 54.284 29.901 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.473 55.279 28.576 1.00 0.00 H new ATOM 0 HG LEU A 34 7.220 52.824 28.248 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.190 51.693 27.445 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.053 52.188 29.149 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.226 53.124 27.881 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.614 52.990 25.871 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.744 54.506 26.203 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.507 54.422 26.437 1.00 0.00 H new ATOM 665 N PHE A 43 0.607 49.991 38.743 1.00 0.00 N ATOM 666 CA PHE A 43 0.974 48.591 38.613 1.00 0.00 C ATOM 667 C PHE A 43 -0.233 47.683 38.858 1.00 0.00 C ATOM 668 O PHE A 43 -0.155 46.472 38.654 1.00 0.00 O ATOM 669 CB PHE A 43 2.036 48.306 39.676 1.00 0.00 C ATOM 670 CG PHE A 43 3.456 48.693 39.257 1.00 0.00 C ATOM 671 CD1 PHE A 43 4.061 48.046 38.226 1.00 0.00 C ATOM 672 CD2 PHE A 43 4.112 49.685 39.917 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.379 48.405 37.836 1.00 0.00 C ATOM 674 CE2 PHE A 43 5.431 50.043 39.528 1.00 0.00 C ATOM 675 CZ PHE A 43 6.036 49.396 38.496 1.00 0.00 C ATOM 0 HA PHE A 43 1.344 48.395 37.606 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.777 48.846 40.587 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.017 47.243 39.918 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.539 47.258 37.703 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.631 50.200 40.736 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.859 47.891 37.016 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.953 50.829 40.052 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.038 49.669 38.201 1.00 0.00 H new ATOM 685 N GLN A 44 -1.321 48.302 39.291 1.00 0.00 N ATOM 686 CA GLN A 44 -2.543 47.565 39.566 1.00 0.00 C ATOM 687 C GLN A 44 -3.131 47.009 38.267 1.00 0.00 C ATOM 688 O GLN A 44 -3.355 45.806 38.149 1.00 0.00 O ATOM 689 CB GLN A 44 -3.560 48.443 40.298 1.00 0.00 C ATOM 690 CG GLN A 44 -4.091 47.741 41.549 1.00 0.00 C ATOM 691 CD GLN A 44 -3.323 48.188 42.795 1.00 0.00 C ATOM 692 OE1 GLN A 44 -2.595 47.428 43.413 1.00 0.00 O ATOM 693 NE2 GLN A 44 -3.525 49.459 43.128 1.00 0.00 N ATOM 0 H GLN A 44 -1.382 49.306 39.458 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.300 46.727 40.219 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.095 49.389 40.577 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.388 48.680 39.630 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.151 47.962 41.672 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.002 46.661 41.430 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.148 50.040 42.567 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.057 49.853 43.945 1.00 0.00 H new ATOM 702 N GLN A 45 -3.363 47.913 37.326 1.00 0.00 N ATOM 703 CA GLN A 45 -3.922 47.528 36.041 1.00 0.00 C ATOM 704 C GLN A 45 -3.006 46.517 35.347 1.00 0.00 C ATOM 705 O GLN A 45 -3.435 45.811 34.435 1.00 0.00 O ATOM 706 CB GLN A 45 -4.156 48.753 35.156 1.00 0.00 C ATOM 707 CG GLN A 45 -5.311 48.514 34.183 1.00 0.00 C ATOM 708 CD GLN A 45 -6.373 49.608 34.312 1.00 0.00 C ATOM 709 OE1 GLN A 45 -6.203 50.731 33.867 1.00 0.00 O ATOM 710 NE2 GLN A 45 -7.477 49.219 34.945 1.00 0.00 N ATOM 0 H GLN A 45 -3.174 48.910 37.428 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.889 47.056 36.213 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.375 49.620 35.779 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.248 48.982 34.599 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.931 48.490 33.162 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.761 47.541 34.379 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.555 48.263 35.293 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.245 49.876 35.082 1.00 0.00 H new ATOM 719 N LEU A 46 -1.764 46.480 35.805 1.00 0.00 N ATOM 720 CA LEU A 46 -0.785 45.567 35.239 1.00 0.00 C ATOM 721 C LEU A 46 -0.924 44.198 35.907 1.00 0.00 C ATOM 722 O LEU A 46 -1.130 43.191 35.232 1.00 0.00 O ATOM 723 CB LEU A 46 0.622 46.161 35.339 1.00 0.00 C ATOM 724 CG LEU A 46 1.377 46.322 34.018 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.557 47.284 34.176 1.00 0.00 C ATOM 726 CD2 LEU A 46 1.816 44.963 33.468 1.00 0.00 C ATOM 0 H LEU A 46 -1.413 47.067 36.561 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.970 45.422 34.175 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.549 47.139 35.815 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.216 45.529 35.999 1.00 0.00 H new ATOM 0 HG LEU A 46 0.698 46.761 33.287 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.077 47.381 33.223 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.190 48.261 34.491 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.245 46.896 34.927 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.350 45.106 32.529 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.472 44.474 34.188 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.939 44.340 33.295 1.00 0.00 H new ATOM 738 N ARG A 47 -0.806 44.205 37.227 1.00 0.00 N ATOM 739 CA ARG A 47 -0.916 42.976 37.996 1.00 0.00 C ATOM 740 C ARG A 47 -2.242 42.278 37.692 1.00 0.00 C ATOM 741 O ARG A 47 -2.364 41.066 37.866 1.00 0.00 O ATOM 742 CB ARG A 47 -0.826 43.255 39.497 1.00 0.00 C ATOM 743 CG ARG A 47 -0.204 42.070 40.239 1.00 0.00 C ATOM 744 CD ARG A 47 0.852 42.542 41.239 1.00 0.00 C ATOM 745 NE ARG A 47 1.695 41.400 41.661 1.00 0.00 N ATOM 746 CZ ARG A 47 2.937 41.526 42.174 1.00 0.00 C ATOM 747 NH1 ARG A 47 3.493 42.745 42.332 1.00 0.00 N ATOM 748 NH2 ARG A 47 3.599 40.437 42.518 1.00 0.00 N ATOM 0 H ARG A 47 -0.635 45.042 37.784 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.087 42.330 37.709 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.229 44.150 39.669 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.821 43.455 39.894 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.983 41.515 40.762 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.249 41.385 39.522 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.473 43.316 40.787 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.368 42.988 42.108 1.00 0.00 H new ATOM 0 HE ARG A 47 1.313 40.460 41.558 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.974 43.581 42.063 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.432 42.831 42.721 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.171 39.520 42.394 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.539 40.513 42.907 1.00 0.00 H new ATOM 761 N ARG A 48 -3.204 43.072 37.243 1.00 0.00 N ATOM 762 CA ARG A 48 -4.517 42.545 36.914 1.00 0.00 C ATOM 763 C ARG A 48 -4.472 41.806 35.575 1.00 0.00 C ATOM 764 O ARG A 48 -5.191 40.828 35.377 1.00 0.00 O ATOM 765 CB ARG A 48 -5.556 43.664 36.836 1.00 0.00 C ATOM 766 CG ARG A 48 -6.716 43.404 37.799 1.00 0.00 C ATOM 767 CD ARG A 48 -7.073 44.670 38.581 1.00 0.00 C ATOM 768 NE ARG A 48 -6.255 44.751 39.812 1.00 0.00 N ATOM 769 CZ ARG A 48 -6.538 44.087 40.954 1.00 0.00 C ATOM 770 NH1 ARG A 48 -7.622 43.286 41.031 1.00 0.00 N ATOM 771 NH2 ARG A 48 -5.738 44.234 41.994 1.00 0.00 N ATOM 0 H ARG A 48 -3.100 44.076 37.100 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.804 41.853 37.706 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.087 44.618 37.076 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.935 43.742 35.817 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.587 43.059 37.241 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.446 42.608 38.493 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.902 45.551 37.962 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.132 44.662 38.838 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.426 45.345 39.797 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.235 43.178 40.223 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.828 42.788 41.897 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.921 44.841 41.927 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.937 43.740 42.864 1.00 0.00 H new ATOM 784 N PHE A 49 -3.619 42.302 34.691 1.00 0.00 N ATOM 785 CA PHE A 49 -3.471 41.700 33.376 1.00 0.00 C ATOM 786 C PHE A 49 -2.597 40.447 33.442 1.00 0.00 C ATOM 787 O PHE A 49 -2.865 39.461 32.756 1.00 0.00 O ATOM 788 CB PHE A 49 -2.787 42.739 32.484 1.00 0.00 C ATOM 789 CG PHE A 49 -2.234 42.168 31.176 1.00 0.00 C ATOM 790 CD1 PHE A 49 -3.032 41.413 30.373 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.946 42.415 30.817 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.519 40.884 29.159 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.434 41.885 29.602 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.231 41.131 28.799 1.00 0.00 C ATOM 0 H PHE A 49 -3.024 43.113 34.859 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.447 41.409 32.987 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.501 43.529 32.251 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.971 43.201 33.041 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.055 41.216 30.659 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.313 43.014 31.455 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.152 40.285 28.521 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.589 42.081 29.316 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.841 40.728 27.876 1.00 0.00 H new ATOM 804 N LEU A 50 -1.569 40.523 34.275 1.00 0.00 N ATOM 805 CA LEU A 50 -0.654 39.407 34.439 1.00 0.00 C ATOM 806 C LEU A 50 -1.392 38.242 35.103 1.00 0.00 C ATOM 807 O LEU A 50 -1.294 37.102 34.651 1.00 0.00 O ATOM 808 CB LEU A 50 0.602 39.849 35.193 1.00 0.00 C ATOM 809 CG LEU A 50 1.387 41.004 34.568 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.137 41.799 35.638 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.323 40.499 33.468 1.00 0.00 C ATOM 0 H LEU A 50 -1.350 41.341 34.844 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.306 39.054 33.468 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.313 40.137 36.204 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.268 38.991 35.285 1.00 0.00 H new ATOM 0 HG LEU A 50 0.677 41.685 34.099 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.687 42.614 35.167 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.424 42.208 36.354 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.835 41.142 36.157 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.869 41.340 33.040 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.030 39.785 33.891 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.738 40.012 32.688 1.00 0.00 H new ATOM 823 N LYS A 51 -2.113 38.569 36.165 1.00 0.00 N ATOM 824 CA LYS A 51 -2.867 37.564 36.896 1.00 0.00 C ATOM 825 C LYS A 51 -3.890 36.920 35.959 1.00 0.00 C ATOM 826 O LYS A 51 -4.239 35.752 36.125 1.00 0.00 O ATOM 827 CB LYS A 51 -3.484 38.170 38.158 1.00 0.00 C ATOM 828 CG LYS A 51 -4.283 37.122 38.936 1.00 0.00 C ATOM 829 CD LYS A 51 -5.756 37.521 39.040 1.00 0.00 C ATOM 830 CE LYS A 51 -6.669 36.329 38.749 1.00 0.00 C ATOM 831 NZ LYS A 51 -6.613 35.350 39.858 1.00 0.00 N ATOM 0 H LYS A 51 -2.191 39.515 36.537 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.207 36.769 37.243 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.697 38.577 38.793 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.135 39.001 37.886 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.199 36.154 38.441 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.862 37.007 39.935 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.962 37.906 40.039 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.969 38.327 38.337 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.694 36.673 38.612 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.366 35.850 37.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.239 34.547 39.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.637 35.008 39.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.924 35.806 40.740 1.00 0.00 H new ATOM 844 N LEU A 52 -4.343 37.709 34.996 1.00 0.00 N ATOM 845 CA LEU A 52 -5.319 37.229 34.033 1.00 0.00 C ATOM 846 C LEU A 52 -4.698 36.107 33.198 1.00 0.00 C ATOM 847 O LEU A 52 -5.278 35.030 33.069 1.00 0.00 O ATOM 848 CB LEU A 52 -5.861 38.390 33.197 1.00 0.00 C ATOM 849 CG LEU A 52 -6.616 38.003 31.923 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.457 39.173 31.407 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.656 37.474 30.856 1.00 0.00 C ATOM 0 H LEU A 52 -4.052 38.677 34.862 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.182 36.804 34.545 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.526 38.984 33.824 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.026 39.033 32.920 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.304 37.194 32.167 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.983 38.871 30.501 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.182 39.464 32.168 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.806 40.018 31.184 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.218 37.206 29.961 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.926 38.245 30.609 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.139 36.593 31.236 1.00 0.00 H new ATOM 863 N ALA A 53 -3.525 36.398 32.654 1.00 0.00 N ATOM 864 CA ALA A 53 -2.819 35.427 31.836 1.00 0.00 C ATOM 865 C ALA A 53 -2.498 34.191 32.679 1.00 0.00 C ATOM 866 O ALA A 53 -2.408 33.083 32.155 1.00 0.00 O ATOM 867 CB ALA A 53 -1.563 36.072 31.246 1.00 0.00 C ATOM 0 H ALA A 53 -3.046 37.292 32.764 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.442 35.104 31.002 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.034 35.343 30.632 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.847 36.926 30.631 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.912 36.407 32.054 1.00 0.00 H new ATOM 873 N LEU A 54 -2.335 34.425 33.974 1.00 0.00 N ATOM 874 CA LEU A 54 -2.027 33.345 34.895 1.00 0.00 C ATOM 875 C LEU A 54 -3.078 32.242 34.752 1.00 0.00 C ATOM 876 O LEU A 54 -2.825 31.090 35.098 1.00 0.00 O ATOM 877 CB LEU A 54 -1.888 33.881 36.321 1.00 0.00 C ATOM 878 CG LEU A 54 -0.609 33.488 37.064 1.00 0.00 C ATOM 879 CD1 LEU A 54 0.610 33.591 36.148 1.00 0.00 C ATOM 880 CD2 LEU A 54 -0.440 34.317 38.339 1.00 0.00 C ATOM 0 H LEU A 54 -2.411 35.346 34.406 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.063 32.900 34.651 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.944 34.969 36.286 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.743 33.536 36.903 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.696 32.445 37.367 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.505 33.306 36.701 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.482 32.924 35.296 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.713 34.617 35.794 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.476 34.018 38.848 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.383 35.374 38.081 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.292 34.150 38.997 1.00 0.00 H new ATOM 892 N LYS A 55 -4.236 32.635 34.243 1.00 0.00 N ATOM 893 CA LYS A 55 -5.326 31.695 34.049 1.00 0.00 C ATOM 894 C LYS A 55 -5.038 30.831 32.819 1.00 0.00 C ATOM 895 O LYS A 55 -5.784 29.899 32.523 1.00 0.00 O ATOM 896 CB LYS A 55 -6.665 32.433 33.983 1.00 0.00 C ATOM 897 CG LYS A 55 -7.800 31.562 34.528 1.00 0.00 C ATOM 898 CD LYS A 55 -7.680 31.391 36.044 1.00 0.00 C ATOM 899 CE LYS A 55 -7.703 29.912 36.432 1.00 0.00 C ATOM 900 NZ LYS A 55 -6.386 29.288 36.176 1.00 0.00 N ATOM 0 H LYS A 55 -4.443 33.592 33.959 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.402 31.020 34.901 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.603 33.357 34.557 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.880 32.712 32.952 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.761 32.016 34.284 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.778 30.585 34.045 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.754 31.848 36.393 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.499 31.913 36.538 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.961 29.811 37.486 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.475 29.393 35.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.346 28.358 36.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.251 29.169 35.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.633 29.897 36.555 1.00 0.00 H new ATOM 913 N THR A 56 -3.954 31.173 32.137 1.00 0.00 N ATOM 914 CA THR A 56 -3.559 30.441 30.947 1.00 0.00 C ATOM 915 C THR A 56 -2.093 30.012 31.047 1.00 0.00 C ATOM 916 O THR A 56 -1.204 30.713 30.569 1.00 0.00 O ATOM 917 CB THR A 56 -3.853 31.321 29.730 1.00 0.00 C ATOM 918 OG1 THR A 56 -5.096 31.943 30.044 1.00 0.00 O ATOM 919 CG2 THR A 56 -4.151 30.503 28.473 1.00 0.00 C ATOM 0 H THR A 56 -3.338 31.947 32.386 1.00 0.00 H new ATOM 0 HA THR A 56 -4.129 29.518 30.843 1.00 0.00 H new ATOM 0 HB THR A 56 -3.002 31.976 29.542 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.517 32.267 29.220 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.353 31.176 27.640 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.291 29.877 28.234 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.022 29.871 28.648 1.00 0.00 H new ATOM 927 N PRO A 57 -1.883 28.831 31.688 1.00 0.00 N ATOM 928 CA PRO A 57 -0.541 28.300 31.858 1.00 0.00 C ATOM 929 C PRO A 57 -0.011 27.721 30.544 1.00 0.00 C ATOM 930 O PRO A 57 0.422 26.570 30.499 1.00 0.00 O ATOM 931 CB PRO A 57 -0.666 27.260 32.958 1.00 0.00 C ATOM 932 CG PRO A 57 -2.145 26.915 33.041 1.00 0.00 C ATOM 933 CD PRO A 57 -2.913 27.974 32.267 1.00 0.00 C ATOM 0 HA PRO A 57 0.183 29.066 32.134 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.071 26.376 32.729 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.302 27.651 33.908 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.331 25.926 32.622 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.473 26.888 34.080 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.535 27.525 31.493 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.576 28.539 32.921 1.00 0.00 H new ATOM 941 N ILE A 58 -0.063 28.545 29.508 1.00 0.00 N ATOM 942 CA ILE A 58 0.407 28.128 28.197 1.00 0.00 C ATOM 943 C ILE A 58 1.587 29.008 27.780 1.00 0.00 C ATOM 944 O ILE A 58 2.391 28.615 26.936 1.00 0.00 O ATOM 945 CB ILE A 58 -0.745 28.129 27.191 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.279 28.636 25.824 1.00 0.00 C ATOM 947 CG2 ILE A 58 -1.938 28.925 27.721 1.00 0.00 C ATOM 948 CD1 ILE A 58 0.734 27.675 25.199 1.00 0.00 C ATOM 0 H ILE A 58 -0.423 29.498 29.549 1.00 0.00 H new ATOM 0 HA ILE A 58 0.770 27.101 28.231 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.080 27.101 27.057 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.137 28.747 25.161 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.170 29.623 25.932 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.742 28.909 26.985 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.289 28.479 28.652 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.635 29.956 27.905 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.049 28.059 24.229 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.602 27.585 25.853 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.274 26.695 25.070 1.00 0.00 H new ATOM 960 N TRP A 59 1.655 30.181 28.392 1.00 0.00 N ATOM 961 CA TRP A 59 2.723 31.120 28.095 1.00 0.00 C ATOM 962 C TRP A 59 3.828 30.923 29.135 1.00 0.00 C ATOM 963 O TRP A 59 4.979 31.288 28.901 1.00 0.00 O ATOM 964 CB TRP A 59 2.196 32.555 28.047 1.00 0.00 C ATOM 965 CG TRP A 59 1.306 32.930 29.234 1.00 0.00 C ATOM 966 CD1 TRP A 59 0.006 32.651 29.412 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.703 33.670 30.408 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.460 33.154 30.609 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.604 33.793 31.234 1.00 0.00 C ATOM 970 CE3 TRP A 59 2.949 34.216 30.760 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.642 34.460 32.465 1.00 0.00 C ATOM 972 CZ3 TRP A 59 2.971 34.878 31.993 1.00 0.00 C ATOM 973 CH2 TRP A 59 1.873 35.011 32.837 1.00 0.00 C ATOM 0 H TRP A 59 0.987 30.503 29.093 1.00 0.00 H new ATOM 0 HA TRP A 59 3.138 30.931 27.105 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.042 33.241 28.009 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.632 32.694 27.125 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.600 32.102 28.707 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.411 33.072 30.969 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.821 34.131 30.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.232 34.544 33.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 3.905 35.316 32.311 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.970 35.537 33.775 1.00 0.00 H new ATOM 984 N LEU A 60 3.439 30.347 30.264 1.00 0.00 N ATOM 985 CA LEU A 60 4.382 30.098 31.340 1.00 0.00 C ATOM 986 C LEU A 60 5.346 28.986 30.920 1.00 0.00 C ATOM 987 O LEU A 60 6.563 29.156 30.993 1.00 0.00 O ATOM 988 CB LEU A 60 3.639 29.805 32.646 1.00 0.00 C ATOM 989 CG LEU A 60 3.850 30.814 33.777 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.009 32.231 33.226 1.00 0.00 C ATOM 991 CD2 LEU A 60 2.724 30.723 34.809 1.00 0.00 C ATOM 0 H LEU A 60 2.484 30.046 30.456 1.00 0.00 H new ATOM 0 HA LEU A 60 4.983 30.987 31.533 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.572 29.749 32.430 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.944 28.821 33.002 1.00 0.00 H new ATOM 0 HG LEU A 60 4.779 30.563 34.290 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.157 32.928 34.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.871 32.268 32.560 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.112 32.509 32.673 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.898 31.450 35.602 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.770 30.934 34.326 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.701 29.720 35.235 1.00 0.00 H new ATOM 1003 N ASN A 61 4.768 27.875 30.490 1.00 0.00 N ATOM 1004 CA ASN A 61 5.562 26.737 30.058 1.00 0.00 C ATOM 1005 C ASN A 61 6.660 27.218 29.109 1.00 0.00 C ATOM 1006 O ASN A 61 7.845 27.031 29.379 1.00 0.00 O ATOM 1007 CB ASN A 61 4.701 25.718 29.310 1.00 0.00 C ATOM 1008 CG ASN A 61 4.666 24.380 30.050 1.00 0.00 C ATOM 1009 OD1 ASN A 61 4.240 24.283 31.190 1.00 0.00 O ATOM 1010 ND2 ASN A 61 5.134 23.357 29.342 1.00 0.00 N ATOM 0 H ASN A 61 3.759 27.738 30.431 1.00 0.00 H new ATOM 0 HA ASN A 61 5.988 26.267 30.944 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.687 26.104 29.201 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.096 25.571 28.305 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.151 22.421 29.748 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.476 23.508 28.393 1.00 0.00 H new ATOM 1017 N PRO A 62 6.216 27.844 27.985 1.00 0.00 N ATOM 1018 CA PRO A 62 7.148 28.352 26.995 1.00 0.00 C ATOM 1019 C PRO A 62 7.823 29.636 27.484 1.00 0.00 C ATOM 1020 O PRO A 62 8.714 30.165 26.820 1.00 0.00 O ATOM 1021 CB PRO A 62 6.314 28.562 25.741 1.00 0.00 C ATOM 1022 CG PRO A 62 4.867 28.606 26.206 1.00 0.00 C ATOM 1023 CD PRO A 62 4.820 28.082 27.632 1.00 0.00 C ATOM 0 HA PRO A 62 7.971 27.664 26.801 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.591 29.489 25.238 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.471 27.753 25.028 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.482 29.625 26.161 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.238 27.999 25.555 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.359 28.805 28.305 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.233 27.166 27.698 1.00 0.00 H new ATOM 1031 N ILE A 63 7.373 30.098 28.641 1.00 0.00 N ATOM 1032 CA ILE A 63 7.924 31.308 29.227 1.00 0.00 C ATOM 1033 C ILE A 63 8.255 32.304 28.113 1.00 0.00 C ATOM 1034 O ILE A 63 9.373 32.315 27.599 1.00 0.00 O ATOM 1035 CB ILE A 63 9.114 30.975 30.128 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.574 32.209 30.907 1.00 0.00 C ATOM 1037 CG2 ILE A 63 10.254 30.348 29.322 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.377 32.989 31.454 1.00 0.00 C ATOM 0 H ILE A 63 6.634 29.657 29.188 1.00 0.00 H new ATOM 0 HA ILE A 63 7.189 31.786 29.875 1.00 0.00 H new ATOM 0 HB ILE A 63 8.792 30.234 30.859 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.221 31.904 31.730 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.167 32.853 30.258 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.088 30.121 29.987 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.904 29.429 28.851 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.583 31.047 28.553 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.731 33.861 32.003 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.745 33.313 30.627 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.800 32.349 32.122 1.00 0.00 H new ATOM 1050 N ASP A 64 7.265 33.116 27.774 1.00 0.00 N ATOM 1051 CA ASP A 64 7.437 34.112 26.731 1.00 0.00 C ATOM 1052 C ASP A 64 6.271 35.101 26.778 1.00 0.00 C ATOM 1053 O ASP A 64 5.127 34.731 26.519 1.00 0.00 O ATOM 1054 CB ASP A 64 7.450 33.463 25.346 1.00 0.00 C ATOM 1055 CG ASP A 64 8.474 34.045 24.369 1.00 0.00 C ATOM 1056 OD1 ASP A 64 8.951 33.354 23.456 1.00 0.00 O ATOM 1057 OD2 ASP A 64 8.784 35.280 24.575 1.00 0.00 O ATOM 0 H ASP A 64 6.340 33.104 28.204 1.00 0.00 H new ATOM 0 HA ASP A 64 8.388 34.617 26.902 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.646 32.397 25.463 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.457 33.558 24.907 1.00 0.00 H new ATOM 1063 N TYR A 65 6.601 36.341 27.111 1.00 0.00 N ATOM 1064 CA TYR A 65 5.595 37.386 27.196 1.00 0.00 C ATOM 1065 C TYR A 65 4.983 37.670 25.822 1.00 0.00 C ATOM 1066 O TYR A 65 4.008 38.412 25.715 1.00 0.00 O ATOM 1067 CB TYR A 65 6.327 38.637 27.684 1.00 0.00 C ATOM 1068 CG TYR A 65 5.487 39.533 28.597 1.00 0.00 C ATOM 1069 CD1 TYR A 65 4.425 40.245 28.077 1.00 0.00 C ATOM 1070 CD2 TYR A 65 5.791 39.629 29.939 1.00 0.00 C ATOM 1071 CE1 TYR A 65 3.635 41.089 28.935 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.001 40.473 30.798 1.00 0.00 C ATOM 1073 CZ TYR A 65 3.961 41.161 30.254 1.00 0.00 C ATOM 1074 OH TYR A 65 3.215 41.958 31.064 1.00 0.00 O ATOM 0 H TYR A 65 7.551 36.645 27.325 1.00 0.00 H new ATOM 0 HA TYR A 65 4.787 37.088 27.864 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.227 38.334 28.218 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.650 39.217 26.819 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.187 40.169 27.026 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.622 39.071 30.346 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.802 41.652 28.541 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.229 40.558 31.850 1.00 0.00 H new ATOM 0 HH TYR A 65 3.383 42.898 30.843 1.00 0.00 H new ATOM 1084 N SER A 66 5.582 37.066 24.807 1.00 0.00 N ATOM 1085 CA SER A 66 5.108 37.245 23.445 1.00 0.00 C ATOM 1086 C SER A 66 3.681 36.708 23.312 1.00 0.00 C ATOM 1087 O SER A 66 2.957 37.081 22.390 1.00 0.00 O ATOM 1088 CB SER A 66 6.032 36.549 22.444 1.00 0.00 C ATOM 1089 OG SER A 66 7.394 36.929 22.621 1.00 0.00 O ATOM 0 H SER A 66 6.391 36.452 24.900 1.00 0.00 H new ATOM 0 HA SER A 66 5.111 38.312 23.220 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.940 35.469 22.556 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.717 36.793 21.429 1.00 0.00 H new ATOM 0 HG SER A 66 7.808 36.356 23.299 1.00 0.00 H new ATOM 1095 N LEU A 67 3.320 35.842 24.247 1.00 0.00 N ATOM 1096 CA LEU A 67 1.993 35.250 24.246 1.00 0.00 C ATOM 1097 C LEU A 67 1.067 36.082 25.137 1.00 0.00 C ATOM 1098 O LEU A 67 -0.154 35.968 25.046 1.00 0.00 O ATOM 1099 CB LEU A 67 2.064 33.774 24.641 1.00 0.00 C ATOM 1100 CG LEU A 67 0.739 33.009 24.622 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.976 31.499 24.678 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.186 33.486 25.744 1.00 0.00 C ATOM 0 H LEU A 67 3.923 35.536 25.011 1.00 0.00 H new ATOM 0 HA LEU A 67 1.569 35.267 23.242 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.760 33.272 23.969 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.485 33.707 25.644 1.00 0.00 H new ATOM 0 HG LEU A 67 0.236 33.221 23.678 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.018 30.980 24.663 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.569 31.192 23.817 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.510 31.248 25.594 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.121 32.926 25.708 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.297 33.324 26.708 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.394 34.548 25.617 1.00 0.00 H new ATOM 1114 N LEU A 68 1.686 36.898 25.978 1.00 0.00 N ATOM 1115 CA LEU A 68 0.933 37.748 26.885 1.00 0.00 C ATOM 1116 C LEU A 68 0.144 38.778 26.075 1.00 0.00 C ATOM 1117 O LEU A 68 -1.085 38.814 26.139 1.00 0.00 O ATOM 1118 CB LEU A 68 1.861 38.369 27.931 1.00 0.00 C ATOM 1119 CG LEU A 68 1.804 37.750 29.329 1.00 0.00 C ATOM 1120 CD1 LEU A 68 2.545 38.622 30.345 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.358 37.481 29.752 1.00 0.00 C ATOM 0 H LEU A 68 2.699 36.989 26.050 1.00 0.00 H new ATOM 0 HA LEU A 68 0.207 37.159 27.445 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.886 38.300 27.566 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.624 39.430 28.015 1.00 0.00 H new ATOM 0 HG LEU A 68 2.314 36.787 29.297 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.489 38.160 31.330 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.589 38.719 30.048 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.085 39.609 30.381 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.346 37.041 30.749 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.198 38.418 29.762 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.105 36.792 29.046 1.00 0.00 H new ATOM 1133 N ALA A 69 0.880 39.589 25.330 1.00 0.00 N ATOM 1134 CA ALA A 69 0.264 40.616 24.508 1.00 0.00 C ATOM 1135 C ALA A 69 -0.841 39.988 23.657 1.00 0.00 C ATOM 1136 O ALA A 69 -1.746 40.683 23.197 1.00 0.00 O ATOM 1137 CB ALA A 69 1.336 41.302 23.658 1.00 0.00 C ATOM 0 H ALA A 69 1.898 39.556 25.278 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.196 41.382 25.132 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.873 42.073 23.041 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.081 41.758 24.310 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.818 40.565 23.016 1.00 0.00 H new ATOM 1143 N SER A 70 -0.731 38.680 23.474 1.00 0.00 N ATOM 1144 CA SER A 70 -1.710 37.950 22.686 1.00 0.00 C ATOM 1145 C SER A 70 -2.994 37.756 23.496 1.00 0.00 C ATOM 1146 O SER A 70 -4.094 37.934 22.974 1.00 0.00 O ATOM 1147 CB SER A 70 -1.156 36.597 22.236 1.00 0.00 C ATOM 1148 OG SER A 70 -1.892 36.056 21.142 1.00 0.00 O ATOM 0 H SER A 70 0.021 38.107 23.858 1.00 0.00 H new ATOM 0 HA SER A 70 -1.936 38.534 21.794 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.111 36.711 21.949 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.183 35.898 23.072 1.00 0.00 H new ATOM 0 HG SER A 70 -1.506 35.193 20.883 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.810 37.394 24.756 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.941 37.173 25.644 1.00 0.00 C ATOM 1156 C LEU A 71 -4.820 38.426 25.662 1.00 0.00 C ATOM 1157 O LEU A 71 -6.045 38.329 25.621 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.458 36.739 27.029 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.862 35.331 27.468 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.653 34.392 27.483 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.579 35.363 28.819 1.00 0.00 C ATOM 0 H LEU A 71 -1.896 37.248 25.184 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.560 36.354 25.278 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.370 36.807 27.051 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.836 37.450 27.763 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.568 34.935 26.738 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.969 33.398 27.799 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.223 34.336 26.483 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.905 34.773 28.178 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.856 34.349 29.108 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.916 35.787 29.573 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.477 35.975 28.740 1.00 0.00 H new ATOM 1173 N ILE A 72 -4.159 39.573 25.727 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.865 40.842 25.753 1.00 0.00 C ATOM 1175 C ILE A 72 -6.087 40.760 24.835 1.00 0.00 C ATOM 1176 O ILE A 72 -5.970 40.936 23.623 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.915 41.991 25.411 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.848 42.162 26.495 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -4.689 43.286 25.158 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.962 43.375 26.206 1.00 0.00 C ATOM 0 H ILE A 72 -3.142 39.649 25.762 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.234 41.052 26.757 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.396 41.741 24.486 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.327 42.281 27.467 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.234 41.263 26.550 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.990 44.087 24.917 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.377 43.142 24.325 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.253 43.553 26.052 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.213 43.474 26.991 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.465 43.242 25.245 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.576 44.275 26.175 1.00 0.00 H new ATOM 1192 N PRO A 73 -7.261 40.487 25.465 1.00 0.00 N ATOM 1193 CA PRO A 73 -8.503 40.379 24.717 1.00 0.00 C ATOM 1194 C PRO A 73 -9.011 41.761 24.296 1.00 0.00 C ATOM 1195 O PRO A 73 -9.619 42.471 25.094 1.00 0.00 O ATOM 1196 CB PRO A 73 -9.460 39.654 25.648 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.872 39.793 27.042 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.437 40.273 26.897 1.00 0.00 C ATOM 0 HA PRO A 73 -8.385 39.831 23.782 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.458 40.091 25.600 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.557 38.605 25.368 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.453 40.501 27.633 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.904 38.838 27.567 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.268 41.192 27.458 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.732 39.534 27.277 1.00 0.00 H new ATOM 1206 N LYS A 74 -8.740 42.098 23.044 1.00 0.00 N ATOM 1207 CA LYS A 74 -9.162 43.381 22.507 1.00 0.00 C ATOM 1208 C LYS A 74 -8.357 44.498 23.175 1.00 0.00 C ATOM 1209 O LYS A 74 -8.191 44.504 24.393 1.00 0.00 O ATOM 1210 CB LYS A 74 -10.677 43.547 22.644 1.00 0.00 C ATOM 1211 CG LYS A 74 -11.395 43.097 21.372 1.00 0.00 C ATOM 1212 CD LYS A 74 -12.289 44.210 20.823 1.00 0.00 C ATOM 1213 CE LYS A 74 -11.708 44.795 19.534 1.00 0.00 C ATOM 1214 NZ LYS A 74 -12.561 45.896 19.033 1.00 0.00 N ATOM 0 H LYS A 74 -8.234 41.506 22.386 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.955 43.434 21.438 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.035 42.965 23.493 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.915 44.591 22.850 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.662 42.810 20.618 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.997 42.213 21.583 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.288 43.818 20.631 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.394 44.998 21.569 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.699 45.164 19.718 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.629 44.015 18.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.152 46.281 18.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.516 45.534 18.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.615 46.647 19.750 1.00 0.00 H new ATOM 1227 N GLY A 75 -7.878 45.415 22.348 1.00 0.00 N ATOM 1228 CA GLY A 75 -7.096 46.535 22.843 1.00 0.00 C ATOM 1229 C GLY A 75 -7.617 47.010 24.200 1.00 0.00 C ATOM 1230 O GLY A 75 -8.781 47.389 24.324 1.00 0.00 O ATOM 0 H GLY A 75 -8.016 45.405 21.337 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.050 46.241 22.934 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.136 47.356 22.127 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.730 46.974 25.184 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.087 47.397 26.528 1.00 0.00 C ATOM 1236 C TYR A 76 -6.879 48.903 26.702 1.00 0.00 C ATOM 1237 O TYR A 76 -6.262 49.550 25.857 1.00 0.00 O ATOM 1238 CB TYR A 76 -6.140 46.651 27.470 1.00 0.00 C ATOM 1239 CG TYR A 76 -6.711 45.341 28.016 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -8.039 45.267 28.385 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -5.897 44.233 28.141 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -8.576 44.033 28.899 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -6.434 42.999 28.655 1.00 0.00 C ATOM 1244 CZ TYR A 76 -7.746 42.961 29.008 1.00 0.00 C ATOM 1245 OH TYR A 76 -8.254 41.796 29.495 1.00 0.00 O ATOM 0 H TYR A 76 -5.766 46.659 25.078 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.136 47.182 26.733 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.211 46.438 26.941 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.888 47.303 28.307 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.675 46.134 28.288 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.858 44.291 27.853 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.613 43.961 29.191 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.809 42.124 28.757 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.233 41.835 29.482 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.419 49.431 27.834 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.298 50.849 28.129 1.00 0.00 C ATOM 1257 C PRO A 77 -5.884 51.191 28.603 1.00 0.00 C ATOM 1258 O PRO A 77 -4.969 50.381 28.473 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.360 51.122 29.181 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.720 49.769 29.773 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.156 48.696 28.857 1.00 0.00 C ATOM 0 HA PRO A 77 -7.454 51.477 27.252 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.983 51.797 29.950 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.234 51.599 28.738 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.308 49.669 30.777 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.802 49.666 29.861 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.503 48.014 29.402 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.951 48.094 28.417 1.00 0.00 H new ATOM 1269 N GLY A 78 -5.751 52.394 29.143 1.00 0.00 N ATOM 1270 CA GLY A 78 -4.464 52.855 29.636 1.00 0.00 C ATOM 1271 C GLY A 78 -3.355 52.576 28.619 1.00 0.00 C ATOM 1272 O GLY A 78 -3.631 52.185 27.486 1.00 0.00 O ATOM 0 H GLY A 78 -6.513 53.063 29.250 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.512 53.924 29.843 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.232 52.358 30.578 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.125 52.790 29.060 1.00 0.00 N ATOM 1277 CA ARG A 79 -0.973 52.568 28.202 1.00 0.00 C ATOM 1278 C ARG A 79 -0.269 51.265 28.587 1.00 0.00 C ATOM 1279 O ARG A 79 0.898 51.064 28.252 1.00 0.00 O ATOM 1280 CB ARG A 79 0.021 53.727 28.304 1.00 0.00 C ATOM 1281 CG ARG A 79 0.190 54.178 29.755 1.00 0.00 C ATOM 1282 CD ARG A 79 1.406 55.096 29.905 1.00 0.00 C ATOM 1283 NE ARG A 79 1.647 55.386 31.337 1.00 0.00 N ATOM 1284 CZ ARG A 79 0.952 56.292 32.055 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -0.039 57.008 31.478 1.00 0.00 N ATOM 1286 NH2 ARG A 79 1.252 56.470 33.327 1.00 0.00 N ATOM 0 H ARG A 79 -1.900 53.115 30.000 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.331 52.502 27.175 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.986 53.420 27.900 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.327 54.563 27.698 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.708 54.701 30.084 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.306 53.307 30.400 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.285 54.623 29.468 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.240 56.025 29.360 1.00 0.00 H new ATOM 0 HE ARG A 79 2.386 54.867 31.811 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.265 56.865 30.494 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.561 57.691 32.027 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.001 55.926 33.755 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.735 57.152 33.882 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.006 50.414 29.285 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.466 49.137 29.719 1.00 0.00 C ATOM 1301 C VAL A 80 -0.007 48.341 28.496 1.00 0.00 C ATOM 1302 O VAL A 80 1.099 47.803 28.480 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.501 48.391 30.564 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.856 47.043 29.933 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -1.009 48.211 32.001 1.00 0.00 C ATOM 0 H VAL A 80 -1.973 50.584 29.561 1.00 0.00 H new ATOM 0 HA VAL A 80 0.406 49.287 30.356 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.407 48.996 30.594 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.593 46.534 30.554 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.269 47.205 28.937 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.959 46.429 29.858 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.763 47.678 32.580 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.082 47.638 31.999 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.831 49.188 32.450 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.880 48.290 27.501 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.578 47.568 26.276 1.00 0.00 C ATOM 1317 C VAL A 81 0.647 48.195 25.608 1.00 0.00 C ATOM 1318 O VAL A 81 1.487 47.487 25.055 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.808 47.545 25.366 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.552 46.693 24.121 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -3.042 47.051 26.124 1.00 0.00 C ATOM 0 H VAL A 81 -1.797 48.737 27.518 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.332 46.529 26.496 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.003 48.567 25.039 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.441 46.693 23.491 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.712 47.107 23.563 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.320 45.671 24.421 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.902 47.044 25.454 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.862 46.041 26.493 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.242 47.715 26.965 1.00 0.00 H new ATOM 1331 N GLU A 82 0.712 49.516 25.684 1.00 0.00 N ATOM 1332 CA GLU A 82 1.820 50.246 25.093 1.00 0.00 C ATOM 1333 C GLU A 82 3.148 49.760 25.678 1.00 0.00 C ATOM 1334 O GLU A 82 4.157 49.708 24.978 1.00 0.00 O ATOM 1335 CB GLU A 82 1.653 51.754 25.294 1.00 0.00 C ATOM 1336 CG GLU A 82 2.817 52.524 24.666 1.00 0.00 C ATOM 1337 CD GLU A 82 2.325 53.802 23.985 1.00 0.00 C ATOM 1338 OE1 GLU A 82 1.655 53.731 22.944 1.00 0.00 O ATOM 1339 OE2 GLU A 82 2.662 54.899 24.575 1.00 0.00 O ATOM 0 H GLU A 82 0.015 50.100 26.146 1.00 0.00 H new ATOM 0 HA GLU A 82 1.825 50.053 24.020 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.713 52.082 24.849 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.597 51.978 26.359 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.548 52.775 25.434 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.325 51.892 23.938 1.00 0.00 H new ATOM 1347 N ILE A 83 3.103 49.414 26.957 1.00 0.00 N ATOM 1348 CA ILE A 83 4.289 48.933 27.644 1.00 0.00 C ATOM 1349 C ILE A 83 4.649 47.543 27.118 1.00 0.00 C ATOM 1350 O ILE A 83 5.744 47.043 27.371 1.00 0.00 O ATOM 1351 CB ILE A 83 4.088 48.985 29.159 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.561 50.353 29.597 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.375 48.605 29.896 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.683 50.229 30.843 1.00 0.00 C ATOM 0 H ILE A 83 2.264 49.457 27.535 1.00 0.00 H new ATOM 0 HA ILE A 83 5.140 49.582 27.437 1.00 0.00 H new ATOM 0 HB ILE A 83 3.332 48.248 29.428 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.398 51.020 29.803 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.987 50.802 28.786 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.205 48.650 30.972 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.669 47.593 29.617 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.169 49.301 29.625 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.322 51.216 31.133 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.834 49.581 30.627 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.267 49.802 31.659 1.00 0.00 H new ATOM 1366 N ILE A 84 3.706 46.955 26.396 1.00 0.00 N ATOM 1367 CA ILE A 84 3.910 45.633 25.832 1.00 0.00 C ATOM 1368 C ILE A 84 4.265 45.763 24.350 1.00 0.00 C ATOM 1369 O ILE A 84 5.155 45.069 23.858 1.00 0.00 O ATOM 1370 CB ILE A 84 2.692 44.744 26.097 1.00 0.00 C ATOM 1371 CG1 ILE A 84 1.960 45.182 27.366 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.090 43.268 26.144 1.00 0.00 C ATOM 1373 CD1 ILE A 84 0.975 44.106 27.830 1.00 0.00 C ATOM 0 H ILE A 84 2.798 47.371 26.189 1.00 0.00 H new ATOM 0 HA ILE A 84 4.750 45.138 26.318 1.00 0.00 H new ATOM 0 HB ILE A 84 1.995 44.862 25.267 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.683 45.383 28.156 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.425 46.113 27.179 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.206 42.659 26.334 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.532 42.980 25.190 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.816 43.112 26.942 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.468 44.443 28.734 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.239 43.925 27.047 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.516 43.183 28.040 1.00 0.00 H new ATOM 1385 N ASN A 85 3.553 46.656 23.680 1.00 0.00 N ATOM 1386 CA ASN A 85 3.782 46.886 22.263 1.00 0.00 C ATOM 1387 C ASN A 85 5.263 47.197 22.035 1.00 0.00 C ATOM 1388 O ASN A 85 5.785 46.982 20.941 1.00 0.00 O ATOM 1389 CB ASN A 85 2.966 48.079 21.760 1.00 0.00 C ATOM 1390 CG ASN A 85 1.651 47.616 21.130 1.00 0.00 C ATOM 1391 OD1 ASN A 85 1.402 46.437 20.945 1.00 0.00 O ATOM 1392 ND2 ASN A 85 0.825 48.609 20.813 1.00 0.00 N ATOM 0 H ASN A 85 2.817 47.230 24.092 1.00 0.00 H new ATOM 0 HA ASN A 85 3.481 45.989 21.722 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.758 48.757 22.588 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.547 48.639 21.027 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.079 48.404 20.388 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.096 49.575 20.995 1.00 0.00 H new ATOM 1399 N ILE A 86 5.899 47.697 23.085 1.00 0.00 N ATOM 1400 CA ILE A 86 7.310 48.038 23.012 1.00 0.00 C ATOM 1401 C ILE A 86 8.142 46.754 23.021 1.00 0.00 C ATOM 1402 O ILE A 86 9.155 46.663 22.329 1.00 0.00 O ATOM 1403 CB ILE A 86 7.680 49.019 24.126 1.00 0.00 C ATOM 1404 CG1 ILE A 86 7.177 50.428 23.806 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.187 48.996 24.396 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.913 51.220 25.088 1.00 0.00 C ATOM 0 H ILE A 86 5.463 47.874 23.990 1.00 0.00 H new ATOM 0 HA ILE A 86 7.531 48.553 22.077 1.00 0.00 H new ATOM 0 HB ILE A 86 7.182 48.700 25.042 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.914 50.951 23.196 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.262 50.366 23.217 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.425 49.702 25.192 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.487 47.993 24.699 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.723 49.277 23.490 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.556 52.218 24.832 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.158 50.707 25.684 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.836 51.301 25.662 1.00 0.00 H new ATOM 1418 N LEU A 87 7.683 45.794 23.810 1.00 0.00 N ATOM 1419 CA LEU A 87 8.373 44.521 23.917 1.00 0.00 C ATOM 1420 C LEU A 87 8.175 43.728 22.624 1.00 0.00 C ATOM 1421 O LEU A 87 9.114 43.119 22.114 1.00 0.00 O ATOM 1422 CB LEU A 87 7.922 43.771 25.174 1.00 0.00 C ATOM 1423 CG LEU A 87 7.754 44.619 26.436 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.248 43.770 27.603 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.053 45.351 26.782 1.00 0.00 C ATOM 0 H LEU A 87 6.842 45.873 24.381 1.00 0.00 H new ATOM 0 HA LEU A 87 9.445 44.678 24.034 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.972 43.282 24.960 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.646 42.984 25.383 1.00 0.00 H new ATOM 0 HG LEU A 87 6.998 45.379 26.238 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.137 44.397 28.488 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.283 43.334 27.344 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.963 42.973 27.810 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.906 45.947 27.683 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.846 44.623 26.953 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.333 46.005 25.956 1.00 0.00 H new ATOM 1437 N VAL A 88 6.946 43.761 22.130 1.00 0.00 N ATOM 1438 CA VAL A 88 6.612 43.053 20.906 1.00 0.00 C ATOM 1439 C VAL A 88 7.438 43.623 19.751 1.00 0.00 C ATOM 1440 O VAL A 88 8.060 42.874 18.999 1.00 0.00 O ATOM 1441 CB VAL A 88 5.104 43.122 20.655 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.780 42.841 19.187 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.349 42.164 21.579 1.00 0.00 C ATOM 0 H VAL A 88 6.169 44.267 22.555 1.00 0.00 H new ATOM 0 HA VAL A 88 6.864 41.996 20.995 1.00 0.00 H new ATOM 0 HB VAL A 88 4.772 44.135 20.883 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.702 42.896 19.035 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.273 43.581 18.557 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.133 41.845 18.921 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.280 42.233 21.380 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.686 41.143 21.399 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.542 42.432 22.618 1.00 0.00 H new ATOM 1453 N LYS A 89 7.416 44.943 19.646 1.00 0.00 N ATOM 1454 CA LYS A 89 8.155 45.622 18.596 1.00 0.00 C ATOM 1455 C LYS A 89 9.650 45.339 18.763 1.00 0.00 C ATOM 1456 O LYS A 89 10.438 45.583 17.851 1.00 0.00 O ATOM 1457 CB LYS A 89 7.812 47.113 18.577 1.00 0.00 C ATOM 1458 CG LYS A 89 7.741 47.641 17.142 1.00 0.00 C ATOM 1459 CD LYS A 89 6.455 48.439 16.915 1.00 0.00 C ATOM 1460 CE LYS A 89 6.596 49.374 15.712 1.00 0.00 C ATOM 1461 NZ LYS A 89 5.553 50.425 15.748 1.00 0.00 N ATOM 0 H LYS A 89 6.898 45.561 20.271 1.00 0.00 H new ATOM 0 HA LYS A 89 7.864 45.238 17.618 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.857 47.277 19.076 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.564 47.670 19.137 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.606 48.273 16.940 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.785 46.807 16.441 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.622 47.755 16.753 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.221 49.020 17.807 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.584 49.834 15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.513 48.802 14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.663 51.051 14.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.613 49.982 15.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.651 50.981 16.621 1.00 0.00 H new ATOM 1474 N ASN A 90 9.994 44.825 19.935 1.00 0.00 N ATOM 1475 CA ASN A 90 11.379 44.505 20.234 1.00 0.00 C ATOM 1476 C ASN A 90 11.513 42.998 20.461 1.00 0.00 C ATOM 1477 O ASN A 90 12.300 42.560 21.297 1.00 0.00 O ATOM 1478 CB ASN A 90 11.848 45.218 21.504 1.00 0.00 C ATOM 1479 CG ASN A 90 13.274 45.747 21.341 1.00 0.00 C ATOM 1480 OD1 ASN A 90 14.218 45.259 21.941 1.00 0.00 O ATOM 1481 ND2 ASN A 90 13.377 46.772 20.499 1.00 0.00 N ATOM 0 H ASN A 90 9.337 44.622 20.689 1.00 0.00 H new ATOM 0 HA ASN A 90 11.989 44.831 19.391 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.174 46.044 21.732 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.806 44.530 22.348 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.287 47.198 20.323 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.546 47.132 20.030 1.00 0.00 H new