USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 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 26 ASN : amide:sc= -0.433 K(o=-2.7,f=-3.3) USER MOD Set 1.2: A 75 SER OG : rot 180:sc= -0.0961 USER MOD Set 1.3: A 84 ASN : amide:sc= -2.13! C(o=-2.7!,f=-3.1!) USER MOD Single : A 23 THR OG1 : rot 36:sc= 0.1 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.204 K(o=0.2,f=-2.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -50:sc= 1.5 USER MOD Single : A 67 ASN : amide:sc= 0.334 K(o=0.33,f=-7.5!) USER MOD Single : A 70 ASN : amide:sc= 0.535 K(o=0.54,f=-5.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 79 GLN : amide:sc= -0.49 K(o=-0.49,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -6.625 -5.336 -9.898 1.00 0.00 N ATOM 367 CA THR A 23 -5.854 -5.518 -8.659 1.00 0.00 C ATOM 368 C THR A 23 -5.367 -4.160 -8.099 1.00 0.00 C ATOM 369 O THR A 23 -4.509 -3.486 -8.685 1.00 0.00 O ATOM 370 CB THR A 23 -4.647 -6.480 -8.912 1.00 0.00 C ATOM 371 OG1 THR A 23 -5.137 -7.739 -9.409 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.799 -6.744 -7.650 1.00 0.00 C ATOM 0 HA THR A 23 -6.508 -5.967 -7.912 1.00 0.00 H new ATOM 0 HB THR A 23 -4.002 -5.986 -9.639 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.910 -7.583 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.979 -7.419 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.394 -5.802 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.423 -7.198 -6.881 1.00 0.00 H new ATOM 380 N ARG A 24 -5.962 -3.780 -6.967 1.00 0.00 N ATOM 381 CA ARG A 24 -5.632 -2.560 -6.212 1.00 0.00 C ATOM 382 C ARG A 24 -5.342 -2.890 -4.744 1.00 0.00 C ATOM 383 O ARG A 24 -5.585 -4.008 -4.277 1.00 0.00 O ATOM 384 CB ARG A 24 -6.807 -1.537 -6.335 1.00 0.00 C ATOM 385 CG ARG A 24 -6.781 -0.702 -7.637 1.00 0.00 C ATOM 386 CD ARG A 24 -8.063 0.114 -7.858 1.00 0.00 C ATOM 387 NE ARG A 24 -9.173 -0.760 -8.276 1.00 0.00 N ATOM 388 CZ ARG A 24 -10.396 -0.798 -7.741 1.00 0.00 C ATOM 389 NH1 ARG A 24 -10.714 -0.033 -6.705 1.00 0.00 N ATOM 390 NH2 ARG A 24 -11.300 -1.607 -8.266 1.00 0.00 N ATOM 0 H ARG A 24 -6.708 -4.324 -6.534 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.731 -2.114 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.752 -2.077 -6.281 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.777 -0.860 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.927 -0.025 -7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.632 -1.369 -8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.331 0.635 -6.939 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.888 0.876 -8.617 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.989 -1.399 -9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.019 0.597 -6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.653 -0.075 -6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.059 -2.190 -9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.239 -1.648 -7.870 1.00 0.00 H new ATOM 404 N ILE A 25 -4.834 -1.877 -4.037 1.00 0.00 N ATOM 405 CA ILE A 25 -4.462 -1.957 -2.622 1.00 0.00 C ATOM 406 C ILE A 25 -4.974 -0.702 -1.900 1.00 0.00 C ATOM 407 O ILE A 25 -4.854 0.410 -2.419 1.00 0.00 O ATOM 408 CB ILE A 25 -2.896 -2.100 -2.449 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.472 -2.116 -0.941 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.127 -1.003 -3.234 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.001 -2.424 -0.690 1.00 0.00 C ATOM 0 H ILE A 25 -4.666 -0.956 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.919 -2.844 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.621 -3.065 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.704 -1.145 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.077 -2.855 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.055 -1.136 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.363 -1.082 -4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.423 -0.019 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.805 -2.412 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.762 -3.408 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.383 -1.672 -1.180 1.00 0.00 H new ATOM 423 N ASN A 26 -5.557 -0.887 -0.710 1.00 0.00 N ATOM 424 CA ASN A 26 -6.052 0.227 0.115 1.00 0.00 C ATOM 425 C ASN A 26 -4.899 0.680 1.029 1.00 0.00 C ATOM 426 O ASN A 26 -4.579 0.009 2.015 1.00 0.00 O ATOM 427 CB ASN A 26 -7.297 -0.214 0.929 1.00 0.00 C ATOM 428 CG ASN A 26 -8.455 -0.737 0.066 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.649 -0.321 -1.077 1.00 0.00 O ATOM 430 ND2 ASN A 26 -9.237 -1.657 0.604 1.00 0.00 N ATOM 0 H ASN A 26 -5.700 -1.806 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.368 1.063 -0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.001 -0.992 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.650 0.631 1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.019 -2.037 0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.058 -1.987 1.552 1.00 0.00 H new ATOM 437 N VAL A 27 -4.262 1.795 0.650 1.00 0.00 N ATOM 438 CA VAL A 27 -3.008 2.274 1.262 1.00 0.00 C ATOM 439 C VAL A 27 -3.297 3.369 2.295 1.00 0.00 C ATOM 440 O VAL A 27 -4.084 4.273 2.042 1.00 0.00 O ATOM 441 CB VAL A 27 -2.038 2.834 0.155 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.701 3.330 0.757 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.794 1.775 -0.937 1.00 0.00 C ATOM 0 H VAL A 27 -4.603 2.399 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.531 1.432 1.763 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.523 3.697 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.061 3.708 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.898 4.128 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.201 2.504 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.121 2.180 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.345 0.888 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.743 1.506 -1.402 1.00 0.00 H new ATOM 453 N VAL A 28 -2.629 3.285 3.447 1.00 0.00 N ATOM 454 CA VAL A 28 -2.797 4.227 4.562 1.00 0.00 C ATOM 455 C VAL A 28 -1.436 4.859 4.873 1.00 0.00 C ATOM 456 O VAL A 28 -0.479 4.139 5.132 1.00 0.00 O ATOM 457 CB VAL A 28 -3.341 3.496 5.855 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.667 4.503 6.987 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.558 2.595 5.529 1.00 0.00 C ATOM 0 H VAL A 28 -1.946 2.552 3.637 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.522 4.988 4.274 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.544 2.848 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.038 3.963 7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.765 5.052 7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.428 5.203 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.905 2.109 6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.361 3.204 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.265 1.837 4.802 1.00 0.00 H new ATOM 469 N ASP A 29 -1.339 6.194 4.812 1.00 0.00 N ATOM 470 CA ASP A 29 -0.132 6.911 5.279 1.00 0.00 C ATOM 471 C ASP A 29 0.029 6.690 6.796 1.00 0.00 C ATOM 472 O ASP A 29 -0.913 6.974 7.539 1.00 0.00 O ATOM 473 CB ASP A 29 -0.215 8.436 5.009 1.00 0.00 C ATOM 474 CG ASP A 29 -0.258 8.792 3.522 1.00 0.00 C ATOM 475 OD1 ASP A 29 -1.349 8.741 2.924 1.00 0.00 O ATOM 476 OD2 ASP A 29 0.796 9.146 2.957 1.00 0.00 O ATOM 0 H ASP A 29 -2.073 6.801 4.447 1.00 0.00 H new ATOM 0 HA ASP A 29 0.721 6.515 4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.105 8.835 5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.645 8.925 5.467 1.00 0.00 H new ATOM 481 N PRO A 30 1.194 6.173 7.288 1.00 0.00 N ATOM 482 CA PRO A 30 1.415 5.966 8.743 1.00 0.00 C ATOM 483 C PRO A 30 1.535 7.305 9.522 1.00 0.00 C ATOM 484 O PRO A 30 1.342 7.347 10.742 1.00 0.00 O ATOM 485 CB PRO A 30 2.732 5.145 8.794 1.00 0.00 C ATOM 486 CG PRO A 30 3.446 5.496 7.518 1.00 0.00 C ATOM 487 CD PRO A 30 2.363 5.722 6.480 1.00 0.00 C ATOM 0 HA PRO A 30 0.578 5.457 9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.329 5.407 9.668 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.531 4.075 8.855 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.056 6.390 7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.117 4.693 7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.659 6.474 5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.140 4.809 5.927 1.00 0.00 H new ATOM 495 N GLU A 31 1.843 8.388 8.785 1.00 0.00 N ATOM 496 CA GLU A 31 2.068 9.735 9.349 1.00 0.00 C ATOM 497 C GLU A 31 0.752 10.547 9.464 1.00 0.00 C ATOM 498 O GLU A 31 0.428 11.067 10.534 1.00 0.00 O ATOM 499 CB GLU A 31 3.125 10.474 8.470 1.00 0.00 C ATOM 500 CG GLU A 31 2.795 10.511 6.957 1.00 0.00 C ATOM 501 CD GLU A 31 3.869 11.200 6.109 1.00 0.00 C ATOM 502 OE1 GLU A 31 4.085 12.416 6.285 1.00 0.00 O ATOM 503 OE2 GLU A 31 4.509 10.536 5.260 1.00 0.00 O ATOM 0 H GLU A 31 1.944 8.354 7.771 1.00 0.00 H new ATOM 0 HA GLU A 31 2.446 9.635 10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.227 11.497 8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.092 9.991 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.661 9.490 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.845 11.027 6.814 1.00 0.00 H new ATOM 510 N THR A 32 -0.009 10.624 8.357 1.00 0.00 N ATOM 511 CA THR A 32 -1.221 11.465 8.267 1.00 0.00 C ATOM 512 C THR A 32 -2.505 10.647 8.513 1.00 0.00 C ATOM 513 O THR A 32 -3.549 11.214 8.862 1.00 0.00 O ATOM 514 CB THR A 32 -1.295 12.173 6.874 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.317 11.188 5.831 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.111 13.135 6.650 1.00 0.00 C ATOM 0 H THR A 32 0.196 10.108 7.502 1.00 0.00 H new ATOM 0 HA THR A 32 -1.151 12.221 9.050 1.00 0.00 H new ATOM 0 HB THR A 32 -2.211 12.763 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.365 11.635 4.960 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.204 13.604 5.670 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.116 13.904 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.825 12.578 6.698 1.00 0.00 H new ATOM 524 N GLY A 33 -2.414 9.315 8.321 1.00 0.00 N ATOM 525 CA GLY A 33 -3.546 8.401 8.518 1.00 0.00 C ATOM 526 C GLY A 33 -4.483 8.324 7.316 1.00 0.00 C ATOM 527 O GLY A 33 -5.524 7.655 7.391 1.00 0.00 O ATOM 0 H GLY A 33 -1.556 8.849 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.164 7.404 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.114 8.722 9.391 1.00 0.00 H new ATOM 531 N LYS A 34 -4.112 8.996 6.208 1.00 0.00 N ATOM 532 CA LYS A 34 -4.967 9.117 5.009 1.00 0.00 C ATOM 533 C LYS A 34 -5.022 7.794 4.224 1.00 0.00 C ATOM 534 O LYS A 34 -3.986 7.260 3.835 1.00 0.00 O ATOM 535 CB LYS A 34 -4.456 10.257 4.091 1.00 0.00 C ATOM 536 CG LYS A 34 -4.414 11.651 4.741 1.00 0.00 C ATOM 537 CD LYS A 34 -5.790 12.109 5.283 1.00 0.00 C ATOM 538 CE LYS A 34 -5.743 13.528 5.867 1.00 0.00 C ATOM 539 NZ LYS A 34 -7.051 13.933 6.444 1.00 0.00 N ATOM 0 H LYS A 34 -3.213 9.470 6.119 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.976 9.355 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.453 10.003 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.093 10.304 3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.693 11.643 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.059 12.376 4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.525 12.074 4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.125 11.413 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.975 13.578 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.457 14.233 5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.978 14.897 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.780 13.910 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.313 13.276 7.206 1.00 0.00 H new ATOM 553 N VAL A 35 -6.241 7.285 4.008 1.00 0.00 N ATOM 554 CA VAL A 35 -6.495 6.076 3.209 1.00 0.00 C ATOM 555 C VAL A 35 -6.855 6.482 1.764 1.00 0.00 C ATOM 556 O VAL A 35 -7.726 7.338 1.549 1.00 0.00 O ATOM 557 CB VAL A 35 -7.655 5.205 3.824 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.804 3.852 3.080 1.00 0.00 C ATOM 559 CG2 VAL A 35 -7.449 4.990 5.342 1.00 0.00 C ATOM 0 H VAL A 35 -7.090 7.705 4.387 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.588 5.471 3.212 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.586 5.757 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.613 3.276 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.031 4.037 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.873 3.290 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.265 4.386 5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.502 4.477 5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.434 5.956 5.848 1.00 0.00 H new ATOM 569 N GLU A 36 -6.164 5.876 0.792 1.00 0.00 N ATOM 570 CA GLU A 36 -6.416 6.054 -0.638 1.00 0.00 C ATOM 571 C GLU A 36 -6.238 4.702 -1.337 1.00 0.00 C ATOM 572 O GLU A 36 -5.256 3.994 -1.073 1.00 0.00 O ATOM 573 CB GLU A 36 -5.437 7.108 -1.217 1.00 0.00 C ATOM 574 CG GLU A 36 -5.585 7.392 -2.728 1.00 0.00 C ATOM 575 CD GLU A 36 -6.991 7.876 -3.122 1.00 0.00 C ATOM 576 OE1 GLU A 36 -7.351 9.026 -2.786 1.00 0.00 O ATOM 577 OE2 GLU A 36 -7.753 7.107 -3.746 1.00 0.00 O ATOM 0 H GLU A 36 -5.396 5.233 0.985 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.432 6.412 -0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.574 8.043 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.417 6.775 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.854 8.145 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.351 6.485 -3.286 1.00 0.00 H new ATOM 584 N ILE A 37 -7.192 4.350 -2.215 1.00 0.00 N ATOM 585 CA ILE A 37 -7.150 3.085 -2.959 1.00 0.00 C ATOM 586 C ILE A 37 -6.169 3.252 -4.136 1.00 0.00 C ATOM 587 O ILE A 37 -6.512 3.848 -5.164 1.00 0.00 O ATOM 588 CB ILE A 37 -8.579 2.671 -3.490 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.642 2.700 -2.334 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.532 1.274 -4.170 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.068 2.459 -2.794 1.00 0.00 C ATOM 0 H ILE A 37 -8.005 4.929 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.817 2.290 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.884 3.401 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.378 1.944 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.592 3.667 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.527 1.010 -4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.839 1.302 -5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.196 0.529 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.738 2.495 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.354 3.229 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.137 1.479 -3.267 1.00 0.00 H new ATOM 603 N ALA A 38 -4.943 2.763 -3.941 1.00 0.00 N ATOM 604 CA ALA A 38 -3.879 2.825 -4.951 1.00 0.00 C ATOM 605 C ALA A 38 -3.969 1.636 -5.903 1.00 0.00 C ATOM 606 O ALA A 38 -4.547 0.608 -5.564 1.00 0.00 O ATOM 607 CB ALA A 38 -2.511 2.854 -4.270 1.00 0.00 C ATOM 0 H ALA A 38 -4.656 2.310 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.006 3.739 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.728 2.900 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.444 3.730 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.384 1.952 -3.671 1.00 0.00 H new ATOM 613 N GLU A 39 -3.371 1.786 -7.087 1.00 0.00 N ATOM 614 CA GLU A 39 -3.358 0.745 -8.128 1.00 0.00 C ATOM 615 C GLU A 39 -2.000 0.040 -8.126 1.00 0.00 C ATOM 616 O GLU A 39 -0.968 0.712 -8.256 1.00 0.00 O ATOM 617 CB GLU A 39 -3.627 1.393 -9.507 1.00 0.00 C ATOM 618 CG GLU A 39 -4.917 2.240 -9.568 1.00 0.00 C ATOM 619 CD GLU A 39 -5.142 2.875 -10.948 1.00 0.00 C ATOM 620 OE1 GLU A 39 -4.485 3.893 -11.256 1.00 0.00 O ATOM 621 OE2 GLU A 39 -5.957 2.351 -11.735 1.00 0.00 O ATOM 0 H GLU A 39 -2.878 2.637 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.137 0.010 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.779 2.024 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.686 0.607 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.772 1.612 -9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.867 3.026 -8.814 1.00 0.00 H new ATOM 628 N ILE A 40 -1.991 -1.304 -7.991 1.00 0.00 N ATOM 629 CA ILE A 40 -0.737 -2.068 -7.962 1.00 0.00 C ATOM 630 C ILE A 40 -0.194 -2.175 -9.401 1.00 0.00 C ATOM 631 O ILE A 40 -0.763 -2.872 -10.244 1.00 0.00 O ATOM 632 CB ILE A 40 -0.930 -3.499 -7.325 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.507 -3.361 -5.880 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.410 -4.299 -7.329 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.770 -4.661 -5.151 1.00 0.00 C ATOM 0 H ILE A 40 -2.833 -1.873 -7.902 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.020 -1.544 -7.330 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.642 -4.061 -7.929 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.812 -2.767 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.440 -2.801 -5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.249 -5.281 -6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.760 -4.418 -8.354 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.159 -3.758 -6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.168 -4.448 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.492 -5.253 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.839 -5.219 -5.056 1.00 0.00 H new ATOM 647 N ARG A 41 0.897 -1.448 -9.654 1.00 0.00 N ATOM 648 CA ARG A 41 1.569 -1.393 -10.957 1.00 0.00 C ATOM 649 C ARG A 41 2.518 -2.587 -11.128 1.00 0.00 C ATOM 650 O ARG A 41 2.426 -3.336 -12.101 1.00 0.00 O ATOM 651 CB ARG A 41 2.338 -0.060 -11.079 1.00 0.00 C ATOM 652 CG ARG A 41 1.440 1.193 -11.075 1.00 0.00 C ATOM 653 CD ARG A 41 2.241 2.498 -11.187 1.00 0.00 C ATOM 654 NE ARG A 41 1.359 3.647 -11.455 1.00 0.00 N ATOM 655 CZ ARG A 41 1.451 4.467 -12.519 1.00 0.00 C ATOM 656 NH1 ARG A 41 2.437 4.339 -13.393 1.00 0.00 N ATOM 657 NH2 ARG A 41 0.543 5.406 -12.708 1.00 0.00 N ATOM 0 H ARG A 41 1.348 -0.869 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 41 0.822 -1.447 -11.749 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.048 0.013 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.920 -0.073 -12.001 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.735 1.132 -11.904 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.852 1.210 -10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.793 2.669 -10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.977 2.408 -11.986 1.00 0.00 H new ATOM 0 HE ARG A 41 0.618 3.837 -10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.140 3.612 -13.265 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.493 4.968 -14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.228 5.510 -12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.612 6.028 -13.514 1.00 0.00 H new ATOM 671 N ASN A 42 3.411 -2.768 -10.149 1.00 0.00 N ATOM 672 CA ASN A 42 4.442 -3.821 -10.183 1.00 0.00 C ATOM 673 C ASN A 42 4.698 -4.327 -8.757 1.00 0.00 C ATOM 674 O ASN A 42 4.330 -3.670 -7.785 1.00 0.00 O ATOM 675 CB ASN A 42 5.739 -3.279 -10.852 1.00 0.00 C ATOM 676 CG ASN A 42 6.793 -4.351 -11.163 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.488 -5.541 -11.298 1.00 0.00 O ATOM 678 ND2 ASN A 42 8.032 -3.937 -11.309 1.00 0.00 N ATOM 0 H ASN A 42 3.443 -2.190 -9.309 1.00 0.00 H new ATOM 0 HA ASN A 42 4.097 -4.663 -10.783 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.470 -2.773 -11.779 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.184 -2.530 -10.197 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.769 -4.604 -11.539 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.257 -2.949 -11.192 1.00 0.00 H new ATOM 685 N VAL A 43 5.276 -5.529 -8.638 1.00 0.00 N ATOM 686 CA VAL A 43 5.480 -6.211 -7.345 1.00 0.00 C ATOM 687 C VAL A 43 6.980 -6.419 -7.029 1.00 0.00 C ATOM 688 O VAL A 43 7.350 -7.377 -6.324 1.00 0.00 O ATOM 689 CB VAL A 43 4.711 -7.583 -7.369 1.00 0.00 C ATOM 690 CG1 VAL A 43 3.180 -7.365 -7.459 1.00 0.00 C ATOM 691 CG2 VAL A 43 5.214 -8.473 -8.534 1.00 0.00 C ATOM 0 H VAL A 43 5.618 -6.062 -9.438 1.00 0.00 H new ATOM 0 HA VAL A 43 5.083 -5.580 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 43 4.917 -8.100 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.675 -8.331 -7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.843 -6.792 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.943 -6.818 -8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.669 -9.417 -8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.048 -7.960 -9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.279 -8.669 -8.409 1.00 0.00 H new ATOM 914 N ILE A 57 1.032 -13.098 -7.565 1.00 0.00 N ATOM 915 CA ILE A 57 0.990 -13.632 -6.194 1.00 0.00 C ATOM 916 C ILE A 57 1.700 -12.643 -5.256 1.00 0.00 C ATOM 917 O ILE A 57 2.916 -12.445 -5.353 1.00 0.00 O ATOM 918 CB ILE A 57 1.651 -15.061 -6.094 1.00 0.00 C ATOM 919 CG1 ILE A 57 0.846 -16.085 -6.955 1.00 0.00 C ATOM 920 CG2 ILE A 57 1.778 -15.538 -4.619 1.00 0.00 C ATOM 921 CD1 ILE A 57 1.401 -17.494 -6.977 1.00 0.00 C ATOM 0 HA ILE A 57 -0.053 -13.747 -5.898 1.00 0.00 H new ATOM 0 HB ILE A 57 2.664 -14.994 -6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.178 -16.122 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.799 -15.715 -7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.238 -16.526 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.397 -14.835 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.788 -15.587 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.769 -18.124 -7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.413 -17.480 -7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.421 -17.893 -5.963 1.00 0.00 H new ATOM 933 N ILE A 58 0.916 -12.000 -4.384 1.00 0.00 N ATOM 934 CA ILE A 58 1.396 -11.022 -3.397 1.00 0.00 C ATOM 935 C ILE A 58 1.149 -11.591 -1.988 1.00 0.00 C ATOM 936 O ILE A 58 0.115 -12.225 -1.743 1.00 0.00 O ATOM 937 CB ILE A 58 0.651 -9.638 -3.574 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.883 -9.079 -5.019 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.099 -8.605 -2.506 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.145 -7.794 -5.338 1.00 0.00 C ATOM 0 H ILE A 58 -0.092 -12.147 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 58 2.461 -10.844 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.416 -9.811 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.951 -8.911 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.583 -9.840 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.565 -7.667 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.875 -8.990 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.171 -8.431 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.370 -7.489 -6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.928 -7.956 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.461 -7.012 -4.648 1.00 0.00 H new ATOM 952 N THR A 59 2.109 -11.377 -1.082 1.00 0.00 N ATOM 953 CA THR A 59 2.034 -11.817 0.320 1.00 0.00 C ATOM 954 C THR A 59 2.278 -10.609 1.242 1.00 0.00 C ATOM 955 O THR A 59 2.565 -9.503 0.761 1.00 0.00 O ATOM 956 CB THR A 59 3.078 -12.954 0.598 1.00 0.00 C ATOM 957 OG1 THR A 59 4.385 -12.537 0.162 1.00 0.00 O ATOM 958 CG2 THR A 59 2.700 -14.274 -0.105 1.00 0.00 C ATOM 0 H THR A 59 2.975 -10.885 -1.303 1.00 0.00 H new ATOM 0 HA THR A 59 1.043 -12.224 0.520 1.00 0.00 H new ATOM 0 HB THR A 59 3.081 -13.136 1.673 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.032 -13.251 0.340 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.451 -15.032 0.116 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.728 -14.612 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.654 -14.112 -1.182 1.00 0.00 H new ATOM 966 N ARG A 60 2.129 -10.815 2.559 1.00 0.00 N ATOM 967 CA ARG A 60 2.335 -9.757 3.556 1.00 0.00 C ATOM 968 C ARG A 60 3.836 -9.421 3.672 1.00 0.00 C ATOM 969 O ARG A 60 4.688 -10.316 3.639 1.00 0.00 O ATOM 970 CB ARG A 60 1.757 -10.177 4.932 1.00 0.00 C ATOM 971 CG ARG A 60 1.709 -9.029 5.965 1.00 0.00 C ATOM 972 CD ARG A 60 1.208 -9.470 7.340 1.00 0.00 C ATOM 973 NE ARG A 60 2.161 -10.376 8.005 1.00 0.00 N ATOM 974 CZ ARG A 60 2.022 -10.856 9.251 1.00 0.00 C ATOM 975 NH1 ARG A 60 0.952 -10.557 9.979 1.00 0.00 N ATOM 976 NH2 ARG A 60 2.953 -11.640 9.769 1.00 0.00 N ATOM 0 H ARG A 60 1.864 -11.715 2.960 1.00 0.00 H new ATOM 0 HA ARG A 60 1.804 -8.863 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.749 -10.567 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.359 -10.991 5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.707 -8.602 6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.062 -8.237 5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.044 -8.593 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.245 -9.970 7.233 1.00 0.00 H new ATOM 0 HE ARG A 60 2.988 -10.660 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.224 -9.956 9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.858 -10.928 10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.779 -11.881 9.221 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.845 -12.003 10.716 1.00 0.00 H new ATOM 990 N GLY A 61 4.136 -8.125 3.803 1.00 0.00 N ATOM 991 CA GLY A 61 5.500 -7.614 3.866 1.00 0.00 C ATOM 992 C GLY A 61 6.024 -7.161 2.511 1.00 0.00 C ATOM 993 O GLY A 61 7.098 -6.563 2.438 1.00 0.00 O ATOM 0 H GLY A 61 3.426 -7.396 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.538 -6.777 4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.155 -8.389 4.263 1.00 0.00 H new ATOM 997 N ALA A 62 5.256 -7.449 1.437 1.00 0.00 N ATOM 998 CA ALA A 62 5.644 -7.140 0.052 1.00 0.00 C ATOM 999 C ALA A 62 5.695 -5.628 -0.204 1.00 0.00 C ATOM 1000 O ALA A 62 4.783 -4.904 0.206 1.00 0.00 O ATOM 1001 CB ALA A 62 4.659 -7.804 -0.922 1.00 0.00 C ATOM 0 H ALA A 62 4.346 -7.904 1.512 1.00 0.00 H new ATOM 0 HA ALA A 62 6.647 -7.535 -0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.949 -7.573 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.674 -8.884 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.653 -7.427 -0.736 1.00 0.00 H new ATOM 1007 N VAL A 63 6.764 -5.158 -0.869 1.00 0.00 N ATOM 1008 CA VAL A 63 6.833 -3.785 -1.371 1.00 0.00 C ATOM 1009 C VAL A 63 6.277 -3.785 -2.800 1.00 0.00 C ATOM 1010 O VAL A 63 6.852 -4.404 -3.701 1.00 0.00 O ATOM 1011 CB VAL A 63 8.294 -3.201 -1.359 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.313 -1.716 -1.804 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.963 -3.376 0.022 1.00 0.00 C ATOM 0 H VAL A 63 7.594 -5.716 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 63 6.246 -3.144 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 63 8.877 -3.772 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.337 -1.343 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.916 -1.634 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.699 -1.125 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.971 -2.961 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.377 -2.854 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.014 -4.436 0.270 1.00 0.00 H new ATOM 1023 N VAL A 64 5.131 -3.134 -2.985 1.00 0.00 N ATOM 1024 CA VAL A 64 4.490 -2.984 -4.291 1.00 0.00 C ATOM 1025 C VAL A 64 4.672 -1.537 -4.783 1.00 0.00 C ATOM 1026 O VAL A 64 4.718 -0.591 -3.984 1.00 0.00 O ATOM 1027 CB VAL A 64 2.959 -3.394 -4.250 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.789 -4.912 -3.952 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.156 -2.538 -3.240 1.00 0.00 C ATOM 0 H VAL A 64 4.615 -2.691 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 64 4.970 -3.664 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 64 2.550 -3.195 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.728 -5.162 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.283 -5.493 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.237 -5.145 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.113 -2.853 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.570 -2.670 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.219 -1.487 -3.523 1.00 0.00 H new ATOM 1039 N GLU A 65 4.787 -1.388 -6.102 1.00 0.00 N ATOM 1040 CA GLU A 65 4.871 -0.092 -6.772 1.00 0.00 C ATOM 1041 C GLU A 65 3.443 0.319 -7.113 1.00 0.00 C ATOM 1042 O GLU A 65 2.706 -0.467 -7.708 1.00 0.00 O ATOM 1043 CB GLU A 65 5.718 -0.185 -8.067 1.00 0.00 C ATOM 1044 CG GLU A 65 5.759 1.128 -8.885 1.00 0.00 C ATOM 1045 CD GLU A 65 6.550 1.013 -10.193 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.775 1.256 -10.190 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.953 0.673 -11.235 1.00 0.00 O ATOM 0 H GLU A 65 4.825 -2.178 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 65 5.354 0.639 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.737 -0.469 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.317 -0.981 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.739 1.436 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.199 1.914 -8.272 1.00 0.00 H new ATOM 1054 N THR A 66 3.046 1.518 -6.694 1.00 0.00 N ATOM 1055 CA THR A 66 1.703 2.055 -6.946 1.00 0.00 C ATOM 1056 C THR A 66 1.810 3.476 -7.506 1.00 0.00 C ATOM 1057 O THR A 66 2.916 4.003 -7.694 1.00 0.00 O ATOM 1058 CB THR A 66 0.823 2.051 -5.642 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.408 2.894 -4.635 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.628 0.635 -5.063 1.00 0.00 C ATOM 0 H THR A 66 3.647 2.151 -6.167 1.00 0.00 H new ATOM 0 HA THR A 66 1.214 1.411 -7.677 1.00 0.00 H new ATOM 0 HB THR A 66 -0.156 2.435 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.355 2.665 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.014 0.691 -4.164 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.134 0.005 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.599 0.207 -4.813 1.00 0.00 H new ATOM 1068 N ASN A 67 0.651 4.080 -7.784 1.00 0.00 N ATOM 1069 CA ASN A 67 0.555 5.477 -8.234 1.00 0.00 C ATOM 1070 C ASN A 67 0.825 6.456 -7.074 1.00 0.00 C ATOM 1071 O ASN A 67 1.060 7.647 -7.307 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.829 5.746 -8.890 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.043 5.420 -8.000 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.975 4.579 -7.103 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.175 6.045 -8.274 1.00 0.00 N ATOM 0 H ASN A 67 -0.253 3.614 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 67 1.324 5.645 -8.988 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.880 6.796 -9.179 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.901 5.160 -9.806 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.017 5.834 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.207 6.738 -9.022 1.00 0.00 H new ATOM 1082 N LEU A 68 0.795 5.946 -5.823 1.00 0.00 N ATOM 1083 CA LEU A 68 1.123 6.733 -4.622 1.00 0.00 C ATOM 1084 C LEU A 68 2.626 6.608 -4.293 1.00 0.00 C ATOM 1085 O LEU A 68 3.270 7.585 -3.900 1.00 0.00 O ATOM 1086 CB LEU A 68 0.261 6.257 -3.423 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.292 6.347 -3.610 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.037 5.912 -2.329 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.740 7.758 -4.060 1.00 0.00 C ATOM 0 H LEU A 68 0.543 4.978 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 68 0.901 7.782 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.520 5.221 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.536 6.846 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.558 5.653 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.112 5.986 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.776 4.881 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.749 6.562 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.824 7.775 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.445 8.490 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.268 8.004 -5.011 1.00 0.00 H new ATOM 1101 N GLY A 69 3.165 5.383 -4.430 1.00 0.00 N ATOM 1102 CA GLY A 69 4.594 5.126 -4.238 1.00 0.00 C ATOM 1103 C GLY A 69 4.868 3.681 -3.866 1.00 0.00 C ATOM 1104 O GLY A 69 4.143 2.778 -4.291 1.00 0.00 O ATOM 0 H GLY A 69 2.624 4.554 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.133 5.373 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.978 5.781 -3.456 1.00 0.00 H new ATOM 1108 N ASN A 70 5.938 3.456 -3.096 1.00 0.00 N ATOM 1109 CA ASN A 70 6.265 2.130 -2.544 1.00 0.00 C ATOM 1110 C ASN A 70 5.377 1.872 -1.326 1.00 0.00 C ATOM 1111 O ASN A 70 5.259 2.736 -0.467 1.00 0.00 O ATOM 1112 CB ASN A 70 7.758 2.076 -2.141 1.00 0.00 C ATOM 1113 CG ASN A 70 8.705 2.306 -3.321 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.695 3.014 -3.199 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.444 1.668 -4.454 1.00 0.00 N ATOM 0 H ASN A 70 6.603 4.185 -2.836 1.00 0.00 H new ATOM 0 HA ASN A 70 6.086 1.362 -3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.950 2.829 -1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.973 1.106 -1.694 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.076 1.762 -5.249 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.612 1.084 -4.530 1.00 0.00 H new ATOM 1122 N VAL A 71 4.691 0.720 -1.284 1.00 0.00 N ATOM 1123 CA VAL A 71 3.776 0.374 -0.178 1.00 0.00 C ATOM 1124 C VAL A 71 4.136 -1.005 0.405 1.00 0.00 C ATOM 1125 O VAL A 71 4.463 -1.916 -0.346 1.00 0.00 O ATOM 1126 CB VAL A 71 2.281 0.353 -0.695 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.277 0.059 0.443 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.913 1.666 -1.431 1.00 0.00 C ATOM 0 H VAL A 71 4.752 0.005 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 71 3.878 1.129 0.602 1.00 0.00 H new ATOM 0 HB VAL A 71 2.210 -0.465 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.264 0.054 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.498 -0.914 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.360 0.829 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.879 1.615 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.029 2.509 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.572 1.799 -2.289 1.00 0.00 H new ATOM 1138 N ARG A 72 4.066 -1.148 1.741 1.00 0.00 N ATOM 1139 CA ARG A 72 4.161 -2.462 2.419 1.00 0.00 C ATOM 1140 C ARG A 72 2.758 -3.039 2.516 1.00 0.00 C ATOM 1141 O ARG A 72 1.857 -2.332 2.949 1.00 0.00 O ATOM 1142 CB ARG A 72 4.735 -2.351 3.859 1.00 0.00 C ATOM 1143 CG ARG A 72 6.233 -2.062 3.949 1.00 0.00 C ATOM 1144 CD ARG A 72 7.117 -3.197 3.393 1.00 0.00 C ATOM 1145 NE ARG A 72 8.553 -2.900 3.583 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.565 -3.793 3.529 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.344 -5.075 3.259 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.805 -3.386 3.751 1.00 0.00 N ATOM 0 H ARG A 72 3.943 -0.364 2.381 1.00 0.00 H new ATOM 0 HA ARG A 72 4.834 -3.093 1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.198 -1.562 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.530 -3.283 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.450 -1.144 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.498 -1.884 4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.868 -4.133 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.909 -3.336 2.332 1.00 0.00 H new ATOM 0 HE ARG A 72 8.803 -1.929 3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.394 -5.404 3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.125 -5.731 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.990 -2.405 3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.575 -4.053 3.712 1.00 0.00 H new ATOM 1162 N VAL A 73 2.585 -4.305 2.131 1.00 0.00 N ATOM 1163 CA VAL A 73 1.323 -5.020 2.339 1.00 0.00 C ATOM 1164 C VAL A 73 1.254 -5.428 3.820 1.00 0.00 C ATOM 1165 O VAL A 73 1.988 -6.305 4.259 1.00 0.00 O ATOM 1166 CB VAL A 73 1.212 -6.272 1.392 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.112 -7.052 1.620 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.358 -5.842 -0.088 1.00 0.00 C ATOM 0 H VAL A 73 3.307 -4.859 1.671 1.00 0.00 H new ATOM 0 HA VAL A 73 0.481 -4.373 2.091 1.00 0.00 H new ATOM 0 HB VAL A 73 2.029 -6.951 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.150 -7.909 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.157 -7.399 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.960 -6.396 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.279 -6.719 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.569 -5.134 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.329 -5.370 -0.236 1.00 0.00 H new ATOM 1178 N THR A 74 0.405 -4.748 4.589 1.00 0.00 N ATOM 1179 CA THR A 74 0.337 -4.913 6.052 1.00 0.00 C ATOM 1180 C THR A 74 -0.777 -5.897 6.442 1.00 0.00 C ATOM 1181 O THR A 74 -0.771 -6.452 7.549 1.00 0.00 O ATOM 1182 CB THR A 74 0.118 -3.533 6.738 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.036 -2.892 6.166 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.350 -2.623 6.582 1.00 0.00 C ATOM 0 H THR A 74 -0.258 -4.065 4.222 1.00 0.00 H new ATOM 0 HA THR A 74 1.285 -5.327 6.397 1.00 0.00 H new ATOM 0 HB THR A 74 -0.039 -3.703 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.176 -2.024 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.162 -1.668 7.073 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.216 -3.102 7.039 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.546 -2.454 5.523 1.00 0.00 H new ATOM 1192 N SER A 75 -1.729 -6.103 5.517 1.00 0.00 N ATOM 1193 CA SER A 75 -2.815 -7.084 5.677 1.00 0.00 C ATOM 1194 C SER A 75 -2.367 -8.467 5.172 1.00 0.00 C ATOM 1195 O SER A 75 -1.304 -8.605 4.562 1.00 0.00 O ATOM 1196 CB SER A 75 -4.069 -6.604 4.907 1.00 0.00 C ATOM 1197 OG SER A 75 -5.189 -7.462 5.100 1.00 0.00 O ATOM 0 H SER A 75 -1.767 -5.592 4.635 1.00 0.00 H new ATOM 0 HA SER A 75 -3.063 -7.172 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.327 -5.596 5.232 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.838 -6.547 3.843 1.00 0.00 H new ATOM 0 HG SER A 75 -5.956 -7.117 4.596 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.205 -9.479 5.438 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.035 -10.851 4.925 1.00 0.00 C ATOM 1205 C ARG A 76 -3.853 -10.981 3.604 1.00 0.00 C ATOM 1206 O ARG A 76 -5.054 -11.277 3.633 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.448 -11.879 6.032 1.00 0.00 C ATOM 1208 CG ARG A 76 -4.822 -11.611 6.693 1.00 0.00 C ATOM 1209 CD ARG A 76 -5.011 -12.302 8.055 1.00 0.00 C ATOM 1210 NE ARG A 76 -4.946 -13.776 7.964 1.00 0.00 N ATOM 1211 CZ ARG A 76 -5.805 -14.636 8.547 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -6.872 -14.199 9.207 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -5.588 -15.938 8.450 1.00 0.00 N ATOM 0 H ARG A 76 -4.033 -9.369 6.024 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.994 -11.071 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.461 -12.877 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.683 -11.882 6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.947 -10.536 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.609 -11.944 6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.243 -11.951 8.745 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.974 -12.011 8.474 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.187 -14.176 7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.052 -13.198 9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.511 -14.865 9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.776 -16.283 7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.232 -16.596 8.888 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.192 -10.731 2.414 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.893 -10.465 1.125 1.00 0.00 C ATOM 1229 C PRO A 77 -4.755 -11.646 0.624 1.00 0.00 C ATOM 1230 O PRO A 77 -5.912 -11.457 0.238 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.733 -10.139 0.145 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.533 -10.809 0.734 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.713 -10.715 2.233 1.00 0.00 C ATOM 0 HA PRO A 77 -4.619 -9.658 1.225 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.944 -10.515 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.581 -9.063 0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.466 -11.848 0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.614 -10.317 0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.238 -11.551 2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.271 -9.803 2.633 1.00 0.00 H new ATOM 1241 N GLY A 78 -4.182 -12.862 0.659 1.00 0.00 N ATOM 1242 CA GLY A 78 -4.861 -14.061 0.159 1.00 0.00 C ATOM 1243 C GLY A 78 -5.853 -14.659 1.153 1.00 0.00 C ATOM 1244 O GLY A 78 -6.663 -15.515 0.778 1.00 0.00 O ATOM 0 H GLY A 78 -3.248 -13.036 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.387 -13.813 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.114 -14.813 -0.093 1.00 0.00 H new ATOM 1248 N GLN A 79 -5.789 -14.217 2.426 1.00 0.00 N ATOM 1249 CA GLN A 79 -6.662 -14.734 3.503 1.00 0.00 C ATOM 1250 C GLN A 79 -7.961 -13.918 3.611 1.00 0.00 C ATOM 1251 O GLN A 79 -9.056 -14.492 3.665 1.00 0.00 O ATOM 1252 CB GLN A 79 -5.894 -14.747 4.849 1.00 0.00 C ATOM 1253 CG GLN A 79 -4.720 -15.756 4.924 1.00 0.00 C ATOM 1254 CD GLN A 79 -5.157 -17.232 4.973 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -6.199 -17.626 4.450 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -4.354 -18.064 5.608 1.00 0.00 N ATOM 0 H GLN A 79 -5.136 -13.497 2.736 1.00 0.00 H new ATOM 0 HA GLN A 79 -6.945 -15.757 3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.506 -13.746 5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.598 -14.972 5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.074 -15.609 4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.123 -15.536 5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.495 -17.718 6.035 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.592 -19.054 5.672 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.828 -12.580 3.638 1.00 0.00 N ATOM 1266 CA ASP A 80 -8.986 -11.658 3.617 1.00 0.00 C ATOM 1267 C ASP A 80 -9.522 -11.468 2.190 1.00 0.00 C ATOM 1268 O ASP A 80 -10.635 -10.966 2.010 1.00 0.00 O ATOM 1269 CB ASP A 80 -8.626 -10.276 4.239 1.00 0.00 C ATOM 1270 CG ASP A 80 -8.607 -10.286 5.775 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -9.658 -10.589 6.383 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -7.569 -9.962 6.384 1.00 0.00 O ATOM 0 H ASP A 80 -6.925 -12.107 3.675 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.768 -12.115 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.648 -9.965 3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.346 -9.533 3.897 1.00 0.00 H new ATOM 1277 N GLY A 81 -8.731 -11.891 1.183 1.00 0.00 N ATOM 1278 CA GLY A 81 -9.081 -11.676 -0.225 1.00 0.00 C ATOM 1279 C GLY A 81 -9.025 -10.206 -0.630 1.00 0.00 C ATOM 1280 O GLY A 81 -9.608 -9.814 -1.650 1.00 0.00 O ATOM 0 H GLY A 81 -7.848 -12.382 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.400 -12.248 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.084 -12.061 -0.408 1.00 0.00 H new ATOM 1284 N VAL A 82 -8.322 -9.383 0.173 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.137 -7.955 -0.091 1.00 0.00 C ATOM 1286 C VAL A 82 -6.721 -7.560 0.344 1.00 0.00 C ATOM 1287 O VAL A 82 -6.204 -8.073 1.347 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.224 -7.060 0.626 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.166 -7.196 2.165 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.118 -5.570 0.197 1.00 0.00 C ATOM 0 H VAL A 82 -7.866 -9.700 1.028 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.264 -7.779 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.195 -7.433 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.931 -6.563 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.343 -8.234 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.183 -6.886 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.882 -4.988 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.132 -5.186 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.265 -5.490 -0.880 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.095 -6.644 -0.408 1.00 0.00 N ATOM 1301 CA ILE A 83 -4.719 -6.212 -0.168 1.00 0.00 C ATOM 1302 C ILE A 83 -4.769 -4.799 0.437 1.00 0.00 C ATOM 1303 O ILE A 83 -5.305 -3.879 -0.177 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.867 -6.232 -1.504 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.000 -7.621 -2.216 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.382 -5.899 -1.231 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.181 -7.788 -3.493 1.00 0.00 C ATOM 0 H ILE A 83 -6.535 -6.182 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.229 -6.899 0.522 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.262 -5.461 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.706 -8.400 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.050 -7.788 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.826 -5.921 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.307 -4.906 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.964 -6.635 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.346 -8.784 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.488 -7.039 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.123 -7.660 -3.266 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.272 -4.661 1.672 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.213 -3.370 2.391 1.00 0.00 C ATOM 1321 C ASN A 84 -2.763 -3.127 2.812 1.00 0.00 C ATOM 1322 O ASN A 84 -2.015 -4.098 3.034 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.129 -3.382 3.643 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.561 -3.834 3.348 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -6.869 -5.031 3.370 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.450 -2.893 3.086 1.00 0.00 N ATOM 0 H ASN A 84 -3.896 -5.442 2.209 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.563 -2.574 1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.696 -4.042 4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.154 -2.381 4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.419 -3.146 2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.167 -1.913 3.075 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.364 -1.854 2.929 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.968 -1.526 3.215 1.00 0.00 C ATOM 1335 C GLY A 85 -0.733 -0.132 3.761 1.00 0.00 C ATOM 1336 O GLY A 85 -1.681 0.616 3.989 1.00 0.00 O ATOM 0 H GLY A 85 -2.980 -1.047 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.581 -2.250 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.389 -1.643 2.299 1.00 0.00 H new ATOM 1340 N VAL A 86 0.557 0.199 3.996 1.00 0.00 N ATOM 1341 CA VAL A 86 0.990 1.540 4.440 1.00 0.00 C ATOM 1342 C VAL A 86 1.983 2.133 3.436 1.00 0.00 C ATOM 1343 O VAL A 86 2.854 1.418 2.916 1.00 0.00 O ATOM 1344 CB VAL A 86 1.632 1.548 5.884 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.590 1.158 6.958 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.884 0.637 5.960 1.00 0.00 C ATOM 0 H VAL A 86 1.328 -0.459 3.882 1.00 0.00 H new ATOM 0 HA VAL A 86 0.088 2.150 4.490 1.00 0.00 H new ATOM 0 HB VAL A 86 1.961 2.567 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.059 1.172 7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.235 1.870 6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.211 0.157 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.297 0.669 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.604 -0.388 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.633 0.988 5.250 1.00 0.00 H new ATOM 1356 N LEU A 87 1.844 3.440 3.164 1.00 0.00 N ATOM 1357 CA LEU A 87 2.723 4.143 2.226 1.00 0.00 C ATOM 1358 C LEU A 87 4.105 4.368 2.864 1.00 0.00 C ATOM 1359 O LEU A 87 4.214 4.966 3.938 1.00 0.00 O ATOM 1360 CB LEU A 87 2.103 5.495 1.796 1.00 0.00 C ATOM 1361 CG LEU A 87 2.862 6.247 0.654 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.930 5.401 -0.640 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.234 7.625 0.388 1.00 0.00 C ATOM 0 H LEU A 87 1.127 4.031 3.584 1.00 0.00 H new ATOM 0 HA LEU A 87 2.840 3.525 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.077 5.319 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.055 6.147 2.668 1.00 0.00 H new ATOM 0 HG LEU A 87 3.887 6.405 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.465 5.957 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.454 4.467 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.920 5.183 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.781 8.126 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.193 7.499 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.282 8.228 1.295 1.00 0.00 H new ATOM 1375 N ILE A 88 5.144 3.853 2.197 1.00 0.00 N ATOM 1376 CA ILE A 88 6.556 4.038 2.575 1.00 0.00 C ATOM 1377 C ILE A 88 7.325 4.642 1.383 1.00 0.00 C ATOM 1378 O ILE A 88 6.740 4.908 0.323 1.00 0.00 O ATOM 1379 CB ILE A 88 7.220 2.676 3.021 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.173 1.632 1.857 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.551 2.121 4.306 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.971 0.376 2.100 1.00 0.00 C ATOM 0 H ILE A 88 5.027 3.282 1.360 1.00 0.00 H new ATOM 0 HA ILE A 88 6.601 4.717 3.426 1.00 0.00 H new ATOM 0 HB ILE A 88 8.267 2.869 3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.134 1.356 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.539 2.107 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.029 1.183 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.662 2.843 5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.492 1.946 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.878 -0.287 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.020 0.634 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.593 -0.129 2.989 1.00 0.00 H new ATOM 1394 N ARG A 89 8.646 4.833 1.553 1.00 0.00 N ATOM 1395 CA ARG A 89 9.519 5.466 0.544 1.00 0.00 C ATOM 1396 C ARG A 89 10.850 4.691 0.506 1.00 0.00 C ATOM 1397 O ARG A 89 11.752 4.973 1.301 1.00 0.00 O ATOM 1398 CB ARG A 89 9.780 6.978 0.868 1.00 0.00 C ATOM 1399 CG ARG A 89 8.530 7.885 1.058 1.00 0.00 C ATOM 1400 CD ARG A 89 7.603 7.925 -0.175 1.00 0.00 C ATOM 1401 NE ARG A 89 8.304 8.344 -1.406 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.774 8.313 -2.643 1.00 0.00 C ATOM 1403 NH1 ARG A 89 6.509 7.942 -2.849 1.00 0.00 N ATOM 1404 NH2 ARG A 89 8.510 8.681 -3.672 1.00 0.00 N ATOM 0 H ARG A 89 9.142 4.551 2.399 1.00 0.00 H new ATOM 0 HA ARG A 89 9.026 5.430 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.379 7.031 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.384 7.398 0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.962 7.531 1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.858 8.899 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.168 6.938 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.778 8.610 0.019 1.00 0.00 H new ATOM 0 HE ARG A 89 9.262 8.682 -1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.921 7.674 -2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.130 7.927 -3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.473 8.986 -3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.117 8.661 -4.613 1.00 0.00 H new ATOM 1418 N GLU A 90 10.942 3.663 -0.361 1.00 0.00 N ATOM 1419 CA GLU A 90 12.175 2.854 -0.523 1.00 0.00 C ATOM 1420 C GLU A 90 13.072 3.492 -1.583 1.00 0.00 C ATOM 1421 O GLU A 90 14.270 3.708 -1.370 1.00 0.00 O ATOM 1422 CB GLU A 90 11.822 1.395 -0.914 1.00 0.00 C ATOM 1423 CG GLU A 90 10.910 0.672 0.091 1.00 0.00 C ATOM 1424 CD GLU A 90 11.488 0.616 1.521 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.208 -0.349 1.846 1.00 0.00 O ATOM 1426 OE2 GLU A 90 11.216 1.536 2.329 1.00 0.00 O ATOM 0 H GLU A 90 10.174 3.369 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 90 12.710 2.829 0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.335 1.401 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.746 0.827 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.943 1.175 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.731 -0.344 -0.260 1.00 0.00 H new ATOM 1433 N LEU A 91 12.455 3.783 -2.726 1.00 0.00 N ATOM 1434 CA LEU A 91 13.087 4.465 -3.855 1.00 0.00 C ATOM 1435 C LEU A 91 12.789 5.973 -3.784 1.00 0.00 C ATOM 1436 O LEU A 91 12.138 6.442 -2.832 1.00 0.00 O ATOM 1437 CB LEU A 91 12.564 3.851 -5.184 1.00 0.00 C ATOM 1438 CG LEU A 91 12.714 2.302 -5.326 1.00 0.00 C ATOM 1439 CD1 LEU A 91 12.108 1.803 -6.650 1.00 0.00 C ATOM 1440 CD2 LEU A 91 14.193 1.853 -5.181 1.00 0.00 C ATOM 0 H LEU A 91 11.478 3.546 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 91 14.168 4.332 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.509 4.106 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.090 4.325 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 91 12.155 1.846 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.228 0.722 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.048 2.054 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.619 2.280 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.256 0.770 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.795 2.328 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.567 2.145 -4.200 1.00 0.00 H new