USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 35 SER OG : rot 13:sc= 0.26 USER MOD Set 1.2: A 77 HIS : no HE2:sc= -0.477 K(o=-0.22,f=-2.1!) USER MOD Set 2.1: A 39 SER OG : rot 159:sc= -1.78! USER MOD Set 2.2: A 43 HIS : no HD1:sc= -1.19! C(o=-3!,f=-9.8!) USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= -1.19 (180deg=-2.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 53 SER OG : rot 84:sc= 1.13 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0306 (180deg=-0.324) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.007 USER MOD Single : A 61 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.8!) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0275 USER MOD Single : A 72 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 74 THR OG1 : rot -2:sc= 0.14 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -108:sc= -10.2! (180deg=-11.7!) USER MOD Single : A 94 LYS NZ :NH3+ -134:sc= -2.85 (180deg=-3.97!) USER MOD Single : A 95 THR OG1 : rot 5:sc= -1.19 USER MOD ----------------------------------------------------------------- ATOM 402 N ASP A 30 8.172 -12.949 -4.894 1.00 0.00 N ATOM 403 CA ASP A 30 8.436 -11.482 -4.852 1.00 0.00 C ATOM 404 C ASP A 30 7.121 -10.733 -4.667 1.00 0.00 C ATOM 405 O ASP A 30 6.737 -9.916 -5.478 1.00 0.00 O ATOM 406 CB ASP A 30 9.126 -11.039 -6.143 1.00 0.00 C ATOM 407 CG ASP A 30 9.744 -9.653 -5.941 1.00 0.00 C ATOM 408 OD1 ASP A 30 9.370 -8.992 -4.985 1.00 0.00 O ATOM 409 OD2 ASP A 30 10.585 -9.279 -6.742 1.00 0.00 O ATOM 0 HA ASP A 30 9.094 -11.255 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.898 -11.757 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.407 -11.013 -6.962 1.00 0.00 H new ATOM 414 N VAL A 31 6.436 -11.015 -3.587 1.00 0.00 N ATOM 415 CA VAL A 31 5.132 -10.342 -3.301 1.00 0.00 C ATOM 416 C VAL A 31 5.250 -9.545 -2.005 1.00 0.00 C ATOM 417 O VAL A 31 5.761 -10.015 -1.007 1.00 0.00 O ATOM 418 CB VAL A 31 4.030 -11.398 -3.160 1.00 0.00 C ATOM 419 CG1 VAL A 31 2.759 -10.747 -2.604 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.735 -12.001 -4.533 1.00 0.00 C ATOM 0 H VAL A 31 6.729 -11.692 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 31 4.880 -9.668 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 31 4.360 -12.181 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.978 -11.501 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.970 -10.313 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.424 -9.964 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.952 -12.753 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.404 -11.215 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.638 -12.465 -4.928 1.00 0.00 H new ATOM 430 N ALA A 32 4.776 -8.331 -2.026 1.00 0.00 N ATOM 431 CA ALA A 32 4.844 -7.458 -0.821 1.00 0.00 C ATOM 432 C ALA A 32 3.504 -7.471 -0.097 1.00 0.00 C ATOM 433 O ALA A 32 2.460 -7.664 -0.689 1.00 0.00 O ATOM 434 CB ALA A 32 5.174 -6.024 -1.250 1.00 0.00 C ATOM 0 H ALA A 32 4.338 -7.900 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 32 5.619 -7.830 -0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.224 -5.383 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.135 -6.010 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.398 -5.657 -1.922 1.00 0.00 H new ATOM 440 N GLU A 33 3.541 -7.264 1.191 1.00 0.00 N ATOM 441 CA GLU A 33 2.292 -7.257 2.008 1.00 0.00 C ATOM 442 C GLU A 33 2.006 -5.843 2.482 1.00 0.00 C ATOM 443 O GLU A 33 2.792 -5.234 3.178 1.00 0.00 O ATOM 444 CB GLU A 33 2.469 -8.180 3.216 1.00 0.00 C ATOM 445 CG GLU A 33 2.617 -9.634 2.743 1.00 0.00 C ATOM 446 CD GLU A 33 4.062 -9.896 2.306 1.00 0.00 C ATOM 447 OE1 GLU A 33 4.839 -8.957 2.296 1.00 0.00 O ATOM 448 OE2 GLU A 33 4.364 -11.033 1.987 1.00 0.00 O ATOM 0 H GLU A 33 4.397 -7.097 1.721 1.00 0.00 H new ATOM 0 HA GLU A 33 1.457 -7.610 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.349 -7.882 3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.611 -8.090 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.342 -10.317 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.936 -9.827 1.914 1.00 0.00 H new ATOM 455 N VAL A 34 0.870 -5.324 2.102 1.00 0.00 N ATOM 456 CA VAL A 34 0.482 -3.940 2.508 1.00 0.00 C ATOM 457 C VAL A 34 -0.885 -3.970 3.190 1.00 0.00 C ATOM 458 O VAL A 34 -1.824 -4.581 2.719 1.00 0.00 O ATOM 459 CB VAL A 34 0.425 -3.041 1.270 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.193 -1.693 1.645 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.845 -2.822 0.742 1.00 0.00 C ATOM 0 H VAL A 34 0.185 -5.806 1.520 1.00 0.00 H new ATOM 0 HA VAL A 34 1.221 -3.545 3.205 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.184 -3.516 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.233 -1.053 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.202 -1.849 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.415 -1.215 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.811 -2.182 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.450 -2.345 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.287 -3.783 0.477 1.00 0.00 H new ATOM 471 N SER A 35 -0.986 -3.293 4.298 1.00 0.00 N ATOM 472 CA SER A 35 -2.273 -3.237 5.046 1.00 0.00 C ATOM 473 C SER A 35 -2.329 -1.950 5.864 1.00 0.00 C ATOM 474 O SER A 35 -1.358 -1.529 6.462 1.00 0.00 O ATOM 475 CB SER A 35 -2.376 -4.440 5.979 1.00 0.00 C ATOM 476 OG SER A 35 -2.717 -5.587 5.216 1.00 0.00 O ATOM 0 H SER A 35 -0.221 -2.769 4.723 1.00 0.00 H new ATOM 0 HA SER A 35 -3.104 -3.256 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.429 -4.599 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.130 -4.259 6.745 1.00 0.00 H new ATOM 0 HG SER A 35 -2.599 -5.393 4.263 1.00 0.00 H new ATOM 482 N LEU A 36 -3.474 -1.324 5.887 1.00 0.00 N ATOM 483 CA LEU A 36 -3.643 -0.049 6.649 1.00 0.00 C ATOM 484 C LEU A 36 -4.483 -0.298 7.891 1.00 0.00 C ATOM 485 O LEU A 36 -5.293 -1.202 7.946 1.00 0.00 O ATOM 486 CB LEU A 36 -4.343 0.993 5.764 1.00 0.00 C ATOM 487 CG LEU A 36 -3.325 1.634 4.811 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.972 0.653 3.690 1.00 0.00 C ATOM 489 CD2 LEU A 36 -3.918 2.907 4.210 1.00 0.00 C ATOM 0 H LEU A 36 -4.313 -1.645 5.404 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.661 0.322 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.142 0.520 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.806 1.760 6.386 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.421 1.882 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.249 1.114 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.542 -0.251 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.874 0.397 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.194 3.361 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.825 2.661 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.158 3.609 5.009 1.00 0.00 H new ATOM 501 N PHE A 37 -4.275 0.509 8.895 1.00 0.00 N ATOM 502 CA PHE A 37 -5.028 0.362 10.173 1.00 0.00 C ATOM 503 C PHE A 37 -5.664 1.694 10.559 1.00 0.00 C ATOM 504 O PHE A 37 -5.151 2.759 10.272 1.00 0.00 O ATOM 505 CB PHE A 37 -4.068 -0.081 11.282 1.00 0.00 C ATOM 506 CG PHE A 37 -3.486 -1.432 10.936 1.00 0.00 C ATOM 507 CD1 PHE A 37 -4.264 -2.586 11.086 1.00 0.00 C ATOM 508 CD2 PHE A 37 -2.170 -1.532 10.467 1.00 0.00 C ATOM 509 CE1 PHE A 37 -3.727 -3.839 10.767 1.00 0.00 C ATOM 510 CE2 PHE A 37 -1.633 -2.785 10.147 1.00 0.00 C ATOM 511 CZ PHE A 37 -2.412 -3.939 10.297 1.00 0.00 C ATOM 0 H PHE A 37 -3.604 1.277 8.883 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.811 -0.385 10.042 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.269 0.651 11.400 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.595 -0.134 12.234 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.279 -2.510 11.448 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.569 -0.642 10.352 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.328 -4.729 10.884 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.618 -2.861 9.785 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.999 -4.906 10.050 1.00 0.00 H new ATOM 521 N GLY A 38 -6.783 1.622 11.219 1.00 0.00 N ATOM 522 CA GLY A 38 -7.496 2.849 11.664 1.00 0.00 C ATOM 523 C GLY A 38 -8.380 3.387 10.542 1.00 0.00 C ATOM 524 O GLY A 38 -8.419 2.859 9.449 1.00 0.00 O ATOM 0 H GLY A 38 -7.243 0.748 11.474 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.105 2.626 12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.774 3.609 11.963 1.00 0.00 H new ATOM 528 N SER A 39 -9.086 4.444 10.827 1.00 0.00 N ATOM 529 CA SER A 39 -9.986 5.071 9.821 1.00 0.00 C ATOM 530 C SER A 39 -10.983 4.045 9.282 1.00 0.00 C ATOM 531 O SER A 39 -10.785 2.853 9.380 1.00 0.00 O ATOM 532 CB SER A 39 -9.148 5.652 8.680 1.00 0.00 C ATOM 533 OG SER A 39 -9.728 6.881 8.260 1.00 0.00 O ATOM 0 H SER A 39 -9.077 4.909 11.735 1.00 0.00 H new ATOM 0 HA SER A 39 -10.549 5.874 10.297 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.122 5.813 9.011 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.108 4.950 7.847 1.00 0.00 H new ATOM 0 HG SER A 39 -9.056 7.416 7.789 1.00 0.00 H new ATOM 539 N ASP A 40 -12.062 4.523 8.724 1.00 0.00 N ATOM 540 CA ASP A 40 -13.113 3.619 8.181 1.00 0.00 C ATOM 541 C ASP A 40 -12.716 3.092 6.806 1.00 0.00 C ATOM 542 O ASP A 40 -11.712 3.475 6.236 1.00 0.00 O ATOM 543 CB ASP A 40 -14.431 4.388 8.061 1.00 0.00 C ATOM 544 CG ASP A 40 -14.280 5.535 7.057 1.00 0.00 C ATOM 545 OD1 ASP A 40 -13.177 5.744 6.584 1.00 0.00 O ATOM 546 OD2 ASP A 40 -15.274 6.184 6.778 1.00 0.00 O ATOM 0 H ASP A 40 -12.262 5.518 8.620 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.229 2.775 8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.226 3.715 7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.721 4.782 9.035 1.00 0.00 H new ATOM 551 N LYS A 41 -13.511 2.197 6.284 1.00 0.00 N ATOM 552 CA LYS A 41 -13.223 1.599 4.957 1.00 0.00 C ATOM 553 C LYS A 41 -13.170 2.691 3.889 1.00 0.00 C ATOM 554 O LYS A 41 -12.292 2.705 3.050 1.00 0.00 O ATOM 555 CB LYS A 41 -14.336 0.602 4.609 1.00 0.00 C ATOM 556 CG LYS A 41 -14.088 -0.011 3.223 1.00 0.00 C ATOM 557 CD LYS A 41 -12.756 -0.772 3.229 1.00 0.00 C ATOM 558 CE LYS A 41 -12.721 -1.753 2.063 1.00 0.00 C ATOM 559 NZ LYS A 41 -13.794 -2.770 2.245 1.00 0.00 N ATOM 0 H LYS A 41 -14.360 1.852 6.732 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.260 1.090 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.376 -0.186 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.303 1.106 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.903 -0.686 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.067 0.773 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.925 -0.071 3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.636 -1.307 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.863 -1.222 1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.747 -2.240 2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.528 -3.647 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.919 -2.965 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.685 -2.409 1.849 1.00 0.00 H new ATOM 573 N ALA A 42 -14.117 3.584 3.904 1.00 0.00 N ATOM 574 CA ALA A 42 -14.159 4.671 2.883 1.00 0.00 C ATOM 575 C ALA A 42 -12.858 5.475 2.925 1.00 0.00 C ATOM 576 O ALA A 42 -12.257 5.751 1.906 1.00 0.00 O ATOM 577 CB ALA A 42 -15.337 5.604 3.188 1.00 0.00 C ATOM 0 H ALA A 42 -14.874 3.609 4.587 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.279 4.230 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.372 6.400 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.268 5.037 3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.210 6.039 4.180 1.00 0.00 H new ATOM 583 N HIS A 43 -12.429 5.856 4.097 1.00 0.00 N ATOM 584 CA HIS A 43 -11.173 6.648 4.226 1.00 0.00 C ATOM 585 C HIS A 43 -9.974 5.776 3.854 1.00 0.00 C ATOM 586 O HIS A 43 -9.004 6.248 3.291 1.00 0.00 O ATOM 587 CB HIS A 43 -11.015 7.133 5.671 1.00 0.00 C ATOM 588 CG HIS A 43 -9.780 7.985 5.778 1.00 0.00 C ATOM 589 ND1 HIS A 43 -8.544 7.457 6.116 1.00 0.00 N ATOM 590 CD2 HIS A 43 -9.574 9.329 5.584 1.00 0.00 C ATOM 591 CE1 HIS A 43 -7.656 8.469 6.115 1.00 0.00 C ATOM 592 NE2 HIS A 43 -8.232 9.632 5.797 1.00 0.00 N ATOM 0 H HIS A 43 -12.899 5.651 4.979 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.222 7.506 3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.892 7.705 5.973 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.942 6.281 6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.337 10.042 5.308 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.607 8.355 6.343 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.784 10.546 5.726 1.00 0.00 H new ATOM 600 N LEU A 44 -10.026 4.513 4.187 1.00 0.00 N ATOM 601 CA LEU A 44 -8.885 3.602 3.878 1.00 0.00 C ATOM 602 C LEU A 44 -8.686 3.534 2.366 1.00 0.00 C ATOM 603 O LEU A 44 -7.572 3.554 1.881 1.00 0.00 O ATOM 604 CB LEU A 44 -9.195 2.188 4.409 1.00 0.00 C ATOM 605 CG LEU A 44 -8.923 2.115 5.926 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.764 0.987 6.547 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.430 1.826 6.175 1.00 0.00 C ATOM 0 H LEU A 44 -10.813 4.072 4.662 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.981 3.982 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.236 1.936 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.582 1.453 3.887 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.191 3.068 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.571 0.937 7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.822 1.187 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.496 0.037 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.243 1.775 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.162 0.875 5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.827 2.623 5.739 1.00 0.00 H new ATOM 619 N GLU A 45 -9.756 3.440 1.623 1.00 0.00 N ATOM 620 CA GLU A 45 -9.643 3.360 0.144 1.00 0.00 C ATOM 621 C GLU A 45 -9.021 4.651 -0.388 1.00 0.00 C ATOM 622 O GLU A 45 -8.123 4.628 -1.210 1.00 0.00 O ATOM 623 CB GLU A 45 -11.062 3.182 -0.447 1.00 0.00 C ATOM 624 CG GLU A 45 -11.296 1.711 -0.787 1.00 0.00 C ATOM 625 CD GLU A 45 -11.042 0.844 0.446 1.00 0.00 C ATOM 626 OE1 GLU A 45 -11.021 1.389 1.535 1.00 0.00 O ATOM 627 OE2 GLU A 45 -10.865 -0.351 0.277 1.00 0.00 O ATOM 0 H GLU A 45 -10.710 3.415 1.984 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.013 2.518 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.810 3.524 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.174 3.794 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.318 1.568 -1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.635 1.407 -1.598 1.00 0.00 H new ATOM 634 N GLY A 46 -9.501 5.774 0.076 1.00 0.00 N ATOM 635 CA GLY A 46 -8.958 7.079 -0.396 1.00 0.00 C ATOM 636 C GLY A 46 -7.481 7.167 -0.025 1.00 0.00 C ATOM 637 O GLY A 46 -6.655 7.572 -0.817 1.00 0.00 O ATOM 0 H GLY A 46 -10.250 5.843 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.081 7.169 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.510 7.902 0.058 1.00 0.00 H new ATOM 641 N LYS A 47 -7.151 6.784 1.179 1.00 0.00 N ATOM 642 CA LYS A 47 -5.736 6.832 1.628 1.00 0.00 C ATOM 643 C LYS A 47 -4.927 5.809 0.835 1.00 0.00 C ATOM 644 O LYS A 47 -3.778 6.027 0.527 1.00 0.00 O ATOM 645 CB LYS A 47 -5.663 6.491 3.124 1.00 0.00 C ATOM 646 CG LYS A 47 -4.240 6.761 3.652 1.00 0.00 C ATOM 647 CD LYS A 47 -4.105 8.237 4.052 1.00 0.00 C ATOM 648 CE LYS A 47 -2.727 8.480 4.661 1.00 0.00 C ATOM 649 NZ LYS A 47 -2.590 9.922 5.010 1.00 0.00 N ATOM 0 H LYS A 47 -7.811 6.437 1.875 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.331 7.830 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.386 7.089 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.927 5.445 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.033 6.122 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.505 6.514 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.245 8.875 3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.882 8.502 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.597 7.865 5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.949 8.189 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.652 10.091 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.697 10.499 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.325 10.184 5.697 1.00 0.00 H new ATOM 663 N LEU A 48 -5.526 4.693 0.521 1.00 0.00 N ATOM 664 CA LEU A 48 -4.816 3.625 -0.241 1.00 0.00 C ATOM 665 C LEU A 48 -4.333 4.206 -1.570 1.00 0.00 C ATOM 666 O LEU A 48 -3.336 3.780 -2.124 1.00 0.00 O ATOM 667 CB LEU A 48 -5.793 2.465 -0.507 1.00 0.00 C ATOM 668 CG LEU A 48 -5.055 1.282 -1.161 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.138 0.595 -0.136 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.078 0.269 -1.699 1.00 0.00 C ATOM 0 H LEU A 48 -6.492 4.472 0.764 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.963 3.257 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.250 2.144 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.600 2.803 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.446 1.657 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.622 -0.240 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.405 1.312 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.736 0.225 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.553 -0.567 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.693 -0.098 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.714 0.753 -2.440 1.00 0.00 H new ATOM 682 N ALA A 49 -5.051 5.168 -2.083 1.00 0.00 N ATOM 683 CA ALA A 49 -4.678 5.796 -3.384 1.00 0.00 C ATOM 684 C ALA A 49 -3.201 6.189 -3.370 1.00 0.00 C ATOM 685 O ALA A 49 -2.556 6.246 -4.398 1.00 0.00 O ATOM 686 CB ALA A 49 -5.530 7.054 -3.596 1.00 0.00 C ATOM 0 H ALA A 49 -5.892 5.551 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.853 5.084 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.263 7.519 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.585 6.781 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.348 7.758 -2.784 1.00 0.00 H new ATOM 692 N GLU A 50 -2.667 6.468 -2.214 1.00 0.00 N ATOM 693 CA GLU A 50 -1.234 6.862 -2.118 1.00 0.00 C ATOM 694 C GLU A 50 -0.354 5.650 -2.436 1.00 0.00 C ATOM 695 O GLU A 50 0.648 5.751 -3.111 1.00 0.00 O ATOM 696 CB GLU A 50 -0.941 7.353 -0.686 1.00 0.00 C ATOM 697 CG GLU A 50 -0.802 6.158 0.270 1.00 0.00 C ATOM 698 CD GLU A 50 -0.844 6.636 1.719 1.00 0.00 C ATOM 699 OE1 GLU A 50 -0.825 7.836 1.927 1.00 0.00 O ATOM 700 OE2 GLU A 50 -0.897 5.789 2.598 1.00 0.00 O ATOM 0 H GLU A 50 -3.166 6.440 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.020 7.660 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.025 7.943 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.744 8.007 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.606 5.444 0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.136 5.636 0.078 1.00 0.00 H new ATOM 707 N TYR A 51 -0.721 4.508 -1.917 1.00 0.00 N ATOM 708 CA TYR A 51 0.081 3.274 -2.139 1.00 0.00 C ATOM 709 C TYR A 51 0.141 2.958 -3.632 1.00 0.00 C ATOM 710 O TYR A 51 1.195 2.698 -4.173 1.00 0.00 O ATOM 711 CB TYR A 51 -0.593 2.100 -1.397 1.00 0.00 C ATOM 712 CG TYR A 51 -0.133 2.061 0.044 1.00 0.00 C ATOM 713 CD1 TYR A 51 1.023 1.350 0.380 1.00 0.00 C ATOM 714 CD2 TYR A 51 -0.852 2.732 1.039 1.00 0.00 C ATOM 715 CE1 TYR A 51 1.458 1.308 1.708 1.00 0.00 C ATOM 716 CE2 TYR A 51 -0.417 2.691 2.368 1.00 0.00 C ATOM 717 CZ TYR A 51 0.738 1.979 2.702 1.00 0.00 C ATOM 718 OH TYR A 51 1.169 1.938 4.012 1.00 0.00 O ATOM 0 H TYR A 51 -1.553 4.379 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 51 1.093 3.424 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.677 2.208 -1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.348 1.159 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.580 0.833 -0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.744 3.283 0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.350 0.757 1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.973 3.209 3.135 1.00 0.00 H new ATOM 0 HH TYR A 51 0.556 2.457 4.574 1.00 0.00 H new ATOM 728 N ILE A 52 -0.988 2.967 -4.286 1.00 0.00 N ATOM 729 CA ILE A 52 -1.022 2.658 -5.745 1.00 0.00 C ATOM 730 C ILE A 52 -0.295 3.756 -6.525 1.00 0.00 C ATOM 731 O ILE A 52 0.447 3.486 -7.449 1.00 0.00 O ATOM 732 CB ILE A 52 -2.484 2.575 -6.218 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.158 1.345 -5.592 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.522 2.452 -7.745 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.670 1.396 -5.837 1.00 0.00 C ATOM 0 H ILE A 52 -1.895 3.177 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.526 1.704 -5.922 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.014 3.477 -5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.742 0.434 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.955 1.314 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.558 2.393 -8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.045 3.324 -8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.990 1.551 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.141 0.520 -5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.081 2.299 -5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.865 1.405 -6.909 1.00 0.00 H new ATOM 747 N SER A 53 -0.534 4.992 -6.173 1.00 0.00 N ATOM 748 CA SER A 53 0.107 6.128 -6.900 1.00 0.00 C ATOM 749 C SER A 53 1.625 6.020 -6.804 1.00 0.00 C ATOM 750 O SER A 53 2.316 5.958 -7.799 1.00 0.00 O ATOM 751 CB SER A 53 -0.337 7.450 -6.262 1.00 0.00 C ATOM 752 OG SER A 53 -1.745 7.586 -6.388 1.00 0.00 O ATOM 0 H SER A 53 -1.150 5.265 -5.408 1.00 0.00 H new ATOM 0 HA SER A 53 -0.193 6.095 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.051 7.473 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.165 8.287 -6.747 1.00 0.00 H new ATOM 0 HG SER A 53 -2.187 7.100 -5.661 1.00 0.00 H new ATOM 758 N LEU A 54 2.142 6.004 -5.610 1.00 0.00 N ATOM 759 CA LEU A 54 3.616 5.907 -5.423 1.00 0.00 C ATOM 760 C LEU A 54 4.121 4.574 -5.959 1.00 0.00 C ATOM 761 O LEU A 54 5.168 4.503 -6.571 1.00 0.00 O ATOM 762 CB LEU A 54 3.946 6.024 -3.920 1.00 0.00 C ATOM 763 CG LEU A 54 4.009 7.506 -3.513 1.00 0.00 C ATOM 764 CD1 LEU A 54 5.252 8.174 -4.142 1.00 0.00 C ATOM 765 CD2 LEU A 54 2.738 8.228 -3.992 1.00 0.00 C ATOM 0 H LEU A 54 1.602 6.054 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 54 4.105 6.714 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.188 5.508 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.899 5.539 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 54 4.078 7.574 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.289 9.223 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.152 7.668 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.193 8.103 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.785 9.278 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.664 8.154 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.863 7.765 -3.536 1.00 0.00 H new ATOM 777 N ALA A 55 3.392 3.524 -5.715 1.00 0.00 N ATOM 778 CA ALA A 55 3.820 2.177 -6.185 1.00 0.00 C ATOM 779 C ALA A 55 3.942 2.183 -7.708 1.00 0.00 C ATOM 780 O ALA A 55 4.881 1.652 -8.263 1.00 0.00 O ATOM 781 CB ALA A 55 2.768 1.142 -5.767 1.00 0.00 C ATOM 0 H ALA A 55 2.509 3.540 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 55 4.784 1.925 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.075 0.153 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.673 1.138 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.808 1.398 -6.214 1.00 0.00 H new ATOM 787 N LYS A 56 2.995 2.781 -8.381 1.00 0.00 N ATOM 788 CA LYS A 56 3.032 2.835 -9.864 1.00 0.00 C ATOM 789 C LYS A 56 4.229 3.670 -10.315 1.00 0.00 C ATOM 790 O LYS A 56 4.930 3.319 -11.243 1.00 0.00 O ATOM 791 CB LYS A 56 1.740 3.487 -10.373 1.00 0.00 C ATOM 792 CG LYS A 56 1.723 3.447 -11.899 1.00 0.00 C ATOM 793 CD LYS A 56 0.402 4.023 -12.418 1.00 0.00 C ATOM 794 CE LYS A 56 0.374 3.952 -13.949 1.00 0.00 C ATOM 795 NZ LYS A 56 1.396 4.880 -14.509 1.00 0.00 N ATOM 0 H LYS A 56 2.189 3.239 -7.957 1.00 0.00 H new ATOM 0 HA LYS A 56 3.122 1.826 -10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.872 2.962 -9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.677 4.518 -10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.561 4.020 -12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.845 2.421 -12.246 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.437 3.465 -12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.291 5.057 -12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.573 2.933 -14.280 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.616 4.219 -14.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.193 5.054 -15.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.369 5.781 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.340 4.454 -14.415 1.00 0.00 H new ATOM 809 N GLN A 57 4.449 4.782 -9.668 1.00 0.00 N ATOM 810 CA GLN A 57 5.585 5.673 -10.042 1.00 0.00 C ATOM 811 C GLN A 57 6.908 4.959 -9.776 1.00 0.00 C ATOM 812 O GLN A 57 7.816 4.995 -10.583 1.00 0.00 O ATOM 813 CB GLN A 57 5.520 6.951 -9.193 1.00 0.00 C ATOM 814 CG GLN A 57 4.298 7.777 -9.604 1.00 0.00 C ATOM 815 CD GLN A 57 4.163 8.997 -8.689 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.015 9.247 -7.860 1.00 0.00 O ATOM 817 NE2 GLN A 57 3.115 9.767 -8.802 1.00 0.00 N ATOM 0 H GLN A 57 3.884 5.115 -8.887 1.00 0.00 H new ATOM 0 HA GLN A 57 5.517 5.925 -11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.460 6.695 -8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.430 7.536 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.397 8.098 -10.641 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.398 7.165 -9.544 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.400 9.556 -9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.011 10.579 -8.194 1.00 0.00 H new ATOM 826 N VAL A 58 7.018 4.314 -8.644 1.00 0.00 N ATOM 827 CA VAL A 58 8.276 3.595 -8.298 1.00 0.00 C ATOM 828 C VAL A 58 8.490 2.457 -9.289 1.00 0.00 C ATOM 829 O VAL A 58 9.580 2.251 -9.781 1.00 0.00 O ATOM 830 CB VAL A 58 8.163 3.023 -6.880 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.369 2.123 -6.588 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.131 4.174 -5.868 1.00 0.00 C ATOM 0 H VAL A 58 6.283 4.255 -7.940 1.00 0.00 H new ATOM 0 HA VAL A 58 9.118 4.285 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 58 7.247 2.437 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.285 1.718 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.394 1.304 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.286 2.706 -6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.051 3.769 -4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.047 4.758 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.272 4.814 -6.072 1.00 0.00 H new ATOM 842 N TYR A 59 7.452 1.714 -9.578 1.00 0.00 N ATOM 843 CA TYR A 59 7.571 0.574 -10.538 1.00 0.00 C ATOM 844 C TYR A 59 6.455 0.657 -11.578 1.00 0.00 C ATOM 845 O TYR A 59 5.281 0.635 -11.262 1.00 0.00 O ATOM 846 CB TYR A 59 7.474 -0.748 -9.775 1.00 0.00 C ATOM 847 CG TYR A 59 7.663 -1.893 -10.740 1.00 0.00 C ATOM 848 CD1 TYR A 59 6.566 -2.404 -11.444 1.00 0.00 C ATOM 849 CD2 TYR A 59 8.936 -2.444 -10.931 1.00 0.00 C ATOM 850 CE1 TYR A 59 6.743 -3.466 -12.340 1.00 0.00 C ATOM 851 CE2 TYR A 59 9.111 -3.506 -11.826 1.00 0.00 C ATOM 852 CZ TYR A 59 8.015 -4.017 -12.530 1.00 0.00 C ATOM 853 OH TYR A 59 8.189 -5.064 -13.412 1.00 0.00 O ATOM 0 H TYR A 59 6.520 1.849 -9.187 1.00 0.00 H new ATOM 0 HA TYR A 59 8.534 0.626 -11.045 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.232 -0.787 -8.993 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.505 -0.827 -9.283 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.584 -1.980 -11.296 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.782 -2.050 -10.388 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.897 -3.860 -12.884 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.093 -3.931 -11.973 1.00 0.00 H new ATOM 0 HH TYR A 59 9.133 -5.327 -13.426 1.00 0.00 H new ATOM 863 N ALA A 60 6.834 0.761 -12.820 1.00 0.00 N ATOM 864 CA ALA A 60 5.843 0.855 -13.927 1.00 0.00 C ATOM 865 C ALA A 60 5.105 -0.473 -14.101 1.00 0.00 C ATOM 866 O ALA A 60 5.659 -1.539 -13.916 1.00 0.00 O ATOM 867 CB ALA A 60 6.567 1.213 -15.228 1.00 0.00 C ATOM 0 H ALA A 60 7.808 0.785 -13.120 1.00 0.00 H new ATOM 0 HA ALA A 60 5.115 1.629 -13.683 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.843 1.282 -16.040 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.074 2.171 -15.111 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.300 0.441 -15.461 1.00 0.00 H new ATOM 873 N ASN A 61 3.854 -0.392 -14.465 1.00 0.00 N ATOM 874 CA ASN A 61 3.014 -1.609 -14.680 1.00 0.00 C ATOM 875 C ASN A 61 2.982 -2.446 -13.403 1.00 0.00 C ATOM 876 O ASN A 61 3.074 -3.657 -13.439 1.00 0.00 O ATOM 877 CB ASN A 61 3.575 -2.430 -15.844 1.00 0.00 C ATOM 878 CG ASN A 61 2.527 -3.446 -16.307 1.00 0.00 C ATOM 879 OD1 ASN A 61 1.820 -4.018 -15.500 1.00 0.00 O ATOM 880 ND2 ASN A 61 2.393 -3.693 -17.581 1.00 0.00 N ATOM 0 H ASN A 61 3.366 0.489 -14.627 1.00 0.00 H new ATOM 0 HA ASN A 61 1.996 -1.306 -14.926 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.847 -1.772 -16.669 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.484 -2.945 -15.534 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.695 -4.366 -17.899 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.986 -3.213 -18.259 1.00 0.00 H new ATOM 887 N VAL A 62 2.846 -1.799 -12.276 1.00 0.00 N ATOM 888 CA VAL A 62 2.803 -2.529 -10.976 1.00 0.00 C ATOM 889 C VAL A 62 1.516 -3.336 -10.869 1.00 0.00 C ATOM 890 O VAL A 62 0.449 -2.880 -11.225 1.00 0.00 O ATOM 891 CB VAL A 62 2.880 -1.525 -9.819 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.628 -0.640 -9.801 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.983 -2.286 -8.495 1.00 0.00 C ATOM 0 H VAL A 62 2.762 -0.785 -12.200 1.00 0.00 H new ATOM 0 HA VAL A 62 3.653 -3.210 -10.924 1.00 0.00 H new ATOM 0 HB VAL A 62 3.758 -0.894 -9.954 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.695 0.068 -8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.554 -0.095 -10.742 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.743 -1.264 -9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.038 -1.575 -7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.105 -2.920 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.880 -2.906 -8.500 1.00 0.00 H new ATOM 903 N GLU A 63 1.624 -4.543 -10.378 1.00 0.00 N ATOM 904 CA GLU A 63 0.428 -5.427 -10.232 1.00 0.00 C ATOM 905 C GLU A 63 0.127 -5.638 -8.756 1.00 0.00 C ATOM 906 O GLU A 63 1.010 -5.840 -7.944 1.00 0.00 O ATOM 907 CB GLU A 63 0.709 -6.778 -10.898 1.00 0.00 C ATOM 908 CG GLU A 63 0.887 -6.580 -12.411 1.00 0.00 C ATOM 909 CD GLU A 63 2.316 -6.118 -12.712 1.00 0.00 C ATOM 910 OE1 GLU A 63 3.058 -5.885 -11.770 1.00 0.00 O ATOM 911 OE2 GLU A 63 2.644 -6.003 -13.880 1.00 0.00 O ATOM 0 H GLU A 63 2.502 -4.960 -10.068 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.431 -4.958 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.607 -7.225 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.113 -7.468 -10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.679 -7.513 -12.936 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.172 -5.842 -12.777 1.00 0.00 H new ATOM 918 N TYR A 64 -1.129 -5.586 -8.411 1.00 0.00 N ATOM 919 CA TYR A 64 -1.534 -5.772 -6.992 1.00 0.00 C ATOM 920 C TYR A 64 -2.979 -6.259 -6.910 1.00 0.00 C ATOM 921 O TYR A 64 -3.735 -6.191 -7.859 1.00 0.00 O ATOM 922 CB TYR A 64 -1.406 -4.447 -6.242 1.00 0.00 C ATOM 923 CG TYR A 64 -2.338 -3.417 -6.841 1.00 0.00 C ATOM 924 CD1 TYR A 64 -1.897 -2.593 -7.884 1.00 0.00 C ATOM 925 CD2 TYR A 64 -3.642 -3.280 -6.347 1.00 0.00 C ATOM 926 CE1 TYR A 64 -2.758 -1.634 -8.434 1.00 0.00 C ATOM 927 CE2 TYR A 64 -4.504 -2.321 -6.897 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.061 -1.499 -7.941 1.00 0.00 C ATOM 929 OH TYR A 64 -4.909 -0.555 -8.482 1.00 0.00 O ATOM 0 H TYR A 64 -1.899 -5.421 -9.059 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.881 -6.517 -6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.642 -4.593 -5.188 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.377 -4.090 -6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.892 -2.697 -8.265 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.983 -3.914 -5.542 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.416 -0.999 -9.238 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.509 -2.216 -6.516 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.776 -0.594 -8.026 1.00 0.00 H new ATOM 939 N GLU A 65 -3.355 -6.749 -5.761 1.00 0.00 N ATOM 940 CA GLU A 65 -4.743 -7.254 -5.554 1.00 0.00 C ATOM 941 C GLU A 65 -5.206 -6.894 -4.147 1.00 0.00 C ATOM 942 O GLU A 65 -4.414 -6.729 -3.239 1.00 0.00 O ATOM 943 CB GLU A 65 -4.770 -8.775 -5.724 1.00 0.00 C ATOM 944 CG GLU A 65 -6.213 -9.273 -5.599 1.00 0.00 C ATOM 945 CD GLU A 65 -6.263 -10.782 -5.837 1.00 0.00 C ATOM 946 OE1 GLU A 65 -5.210 -11.396 -5.848 1.00 0.00 O ATOM 947 OE2 GLU A 65 -7.357 -11.299 -5.999 1.00 0.00 O ATOM 0 H GLU A 65 -2.750 -6.822 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.407 -6.797 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.361 -9.051 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.143 -9.248 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.604 -9.039 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.848 -8.760 -6.322 1.00 0.00 H new ATOM 954 N VAL A 66 -6.495 -6.770 -3.969 1.00 0.00 N ATOM 955 CA VAL A 66 -7.061 -6.414 -2.632 1.00 0.00 C ATOM 956 C VAL A 66 -8.064 -7.479 -2.192 1.00 0.00 C ATOM 957 O VAL A 66 -8.935 -7.891 -2.933 1.00 0.00 O ATOM 958 CB VAL A 66 -7.751 -5.048 -2.719 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.726 -5.013 -3.901 1.00 0.00 C ATOM 960 CG2 VAL A 66 -8.514 -4.780 -1.418 1.00 0.00 C ATOM 0 H VAL A 66 -7.190 -6.902 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.256 -6.365 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.993 -4.279 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.207 -4.036 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.181 -5.194 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.485 -5.785 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.005 -3.809 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.263 -5.557 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.817 -4.783 -0.580 1.00 0.00 H new ATOM 970 N ALA A 67 -7.931 -7.919 -0.971 1.00 0.00 N ATOM 971 CA ALA A 67 -8.850 -8.958 -0.425 1.00 0.00 C ATOM 972 C ALA A 67 -10.102 -8.278 0.139 1.00 0.00 C ATOM 973 O ALA A 67 -10.097 -7.102 0.440 1.00 0.00 O ATOM 974 CB ALA A 67 -8.125 -9.739 0.693 1.00 0.00 C ATOM 0 H ALA A 67 -7.215 -7.598 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.143 -9.649 -1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.792 -10.501 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.234 -10.216 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.836 -9.052 1.488 1.00 0.00 H new ATOM 980 N PRO A 68 -11.162 -9.028 0.288 1.00 0.00 N ATOM 981 CA PRO A 68 -12.452 -8.505 0.833 1.00 0.00 C ATOM 982 C PRO A 68 -12.307 -7.942 2.248 1.00 0.00 C ATOM 983 O PRO A 68 -11.695 -8.541 3.112 1.00 0.00 O ATOM 984 CB PRO A 68 -13.377 -9.740 0.816 1.00 0.00 C ATOM 985 CG PRO A 68 -12.453 -10.914 0.776 1.00 0.00 C ATOM 986 CD PRO A 68 -11.256 -10.458 -0.042 1.00 0.00 C ATOM 0 HA PRO A 68 -12.835 -7.670 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.014 -9.769 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.037 -9.727 -0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.152 -11.211 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.935 -11.778 0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.349 -10.997 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.411 -10.618 -1.109 1.00 0.00 H new ATOM 994 N VAL A 69 -12.881 -6.792 2.482 1.00 0.00 N ATOM 995 CA VAL A 69 -12.806 -6.152 3.831 1.00 0.00 C ATOM 996 C VAL A 69 -14.155 -5.545 4.209 1.00 0.00 C ATOM 997 O VAL A 69 -14.836 -4.944 3.400 1.00 0.00 O ATOM 998 CB VAL A 69 -11.749 -5.050 3.818 1.00 0.00 C ATOM 999 CG1 VAL A 69 -11.708 -4.378 5.190 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.378 -5.654 3.507 1.00 0.00 C ATOM 0 H VAL A 69 -13.406 -6.261 1.787 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.540 -6.915 4.563 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.000 -4.314 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.955 -3.590 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.684 -3.946 5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.456 -5.118 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.626 -4.865 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.123 -6.390 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.407 -6.138 2.531 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.533 -5.703 5.446 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.827 -5.151 5.932 1.00 0.00 C ATOM 1012 C ALA A 70 -15.781 -3.627 5.922 1.00 0.00 C ATOM 1013 O ALA A 70 -14.733 -3.018 5.997 1.00 0.00 O ATOM 1014 CB ALA A 70 -16.093 -5.649 7.356 1.00 0.00 C ATOM 0 H ALA A 70 -13.990 -6.200 6.152 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.628 -5.486 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.041 -5.245 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.140 -6.738 7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.288 -5.319 8.013 1.00 0.00 H new ATOM 1020 N ASP A 71 -16.927 -3.017 5.819 1.00 0.00 N ATOM 1021 CA ASP A 71 -17.003 -1.534 5.790 1.00 0.00 C ATOM 1022 C ASP A 71 -16.505 -0.974 7.118 1.00 0.00 C ATOM 1023 O ASP A 71 -15.906 0.085 7.176 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.460 -1.102 5.568 1.00 0.00 C ATOM 1025 CG ASP A 71 -19.364 -1.696 6.655 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -18.885 -2.514 7.423 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -20.527 -1.328 6.693 1.00 0.00 O ATOM 0 H ASP A 71 -17.827 -3.492 5.753 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.382 -1.153 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.530 -0.014 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.798 -1.431 4.585 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.764 -1.680 8.186 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.333 -1.220 9.541 1.00 0.00 C ATOM 1034 C ASN A 72 -15.119 -2.038 9.985 1.00 0.00 C ATOM 1035 O ASN A 72 -14.896 -2.246 11.160 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.485 -1.420 10.535 1.00 0.00 C ATOM 1037 CG ASN A 72 -18.651 -0.496 10.170 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -18.460 0.479 9.324 1.00 0.00 O flip ATOM 1039 ND2 ASN A 72 -19.751 -0.665 10.658 1.00 0.00 N flip ATOM 0 H ASN A 72 -17.263 -2.569 8.178 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.066 -0.164 9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.814 -2.459 10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.144 -1.208 11.548 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -19.904 -1.426 11.320 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -20.521 -0.046 10.406 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.341 -2.509 9.046 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.136 -3.320 9.391 1.00 0.00 C ATOM 1048 C ALA A 73 -12.085 -2.410 10.029 1.00 0.00 C ATOM 1049 O ALA A 73 -11.108 -2.870 10.582 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.563 -3.944 8.111 1.00 0.00 C ATOM 0 H ALA A 73 -14.490 -2.365 8.047 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.409 -4.110 10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.683 -4.537 8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.315 -4.585 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.284 -3.154 7.414 1.00 0.00 H new ATOM 1056 N THR A 74 -12.292 -1.122 9.951 1.00 0.00 N ATOM 1057 CA THR A 74 -11.327 -0.150 10.545 1.00 0.00 C ATOM 1058 C THR A 74 -9.922 -0.451 10.035 1.00 0.00 C ATOM 1059 O THR A 74 -8.947 0.091 10.516 1.00 0.00 O ATOM 1060 CB THR A 74 -11.361 -0.251 12.072 1.00 0.00 C ATOM 1061 OG1 THR A 74 -10.868 -1.519 12.475 1.00 0.00 O ATOM 1062 CG2 THR A 74 -12.799 -0.077 12.569 1.00 0.00 C ATOM 0 H THR A 74 -13.099 -0.697 9.495 1.00 0.00 H new ATOM 0 HA THR A 74 -11.607 0.862 10.252 1.00 0.00 H new ATOM 0 HB THR A 74 -10.736 0.533 12.499 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.651 -2.053 11.682 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.819 -0.150 13.656 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.174 0.900 12.263 1.00 0.00 H new ATOM 0 HG23 THR A 74 -13.429 -0.857 12.141 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.816 -1.309 9.058 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.478 -1.655 8.500 1.00 0.00 C ATOM 1072 C GLU A 75 -8.614 -2.092 7.046 1.00 0.00 C ATOM 1073 O GLU A 75 -9.691 -2.134 6.489 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.860 -2.795 9.318 1.00 0.00 C ATOM 1075 CG GLU A 75 -8.588 -4.115 9.028 1.00 0.00 C ATOM 1076 CD GLU A 75 -8.170 -5.171 10.053 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -7.025 -5.140 10.474 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -9.001 -5.996 10.396 1.00 0.00 O ATOM 0 H GLU A 75 -10.603 -1.788 8.620 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.835 -0.776 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.802 -2.894 9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.922 -2.564 10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.667 -3.963 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.351 -4.458 8.021 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.510 -2.422 6.437 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.527 -2.866 5.018 1.00 0.00 C ATOM 1087 C LEU A 76 -6.447 -3.919 4.788 1.00 0.00 C ATOM 1088 O LEU A 76 -5.310 -3.766 5.189 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.271 -1.664 4.110 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.555 -2.053 2.645 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -9.042 -1.847 2.337 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.716 -1.183 1.706 1.00 0.00 C ATOM 0 H LEU A 76 -6.586 -2.402 6.868 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.500 -3.300 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.908 -0.830 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.239 -1.330 4.215 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.294 -3.101 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.241 -2.122 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.641 -2.472 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.304 -0.800 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.920 -1.462 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.972 -0.134 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.658 -1.333 1.920 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.810 -4.986 4.124 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.843 -6.084 3.825 1.00 0.00 C ATOM 1106 C HIS A 77 -5.661 -6.203 2.315 1.00 0.00 C ATOM 1107 O HIS A 77 -6.588 -6.479 1.576 1.00 0.00 O ATOM 1108 CB HIS A 77 -6.378 -7.402 4.388 1.00 0.00 C ATOM 1109 CG HIS A 77 -6.427 -7.314 5.889 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -5.279 -7.332 6.666 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -7.474 -7.207 6.770 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -5.659 -7.239 7.952 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -6.986 -7.160 8.073 1.00 0.00 N ATOM 0 H HIS A 77 -7.753 -5.145 3.770 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.881 -5.860 4.287 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.373 -7.604 3.991 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.738 -8.229 4.081 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -4.321 -7.403 6.324 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.517 -7.166 6.494 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.973 -7.229 8.787 1.00 0.00 H new ATOM 1121 N ALA A 78 -4.458 -5.992 1.859 1.00 0.00 N ATOM 1122 CA ALA A 78 -4.169 -6.080 0.400 1.00 0.00 C ATOM 1123 C ALA A 78 -2.718 -6.501 0.183 1.00 0.00 C ATOM 1124 O ALA A 78 -1.887 -6.403 1.064 1.00 0.00 O ATOM 1125 CB ALA A 78 -4.402 -4.721 -0.254 1.00 0.00 C ATOM 0 H ALA A 78 -3.654 -5.760 2.442 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.832 -6.820 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.190 -4.789 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.440 -4.421 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.743 -3.981 0.200 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.421 -6.976 -0.996 1.00 0.00 N ATOM 1132 CA ARG A 79 -1.034 -7.428 -1.322 1.00 0.00 C ATOM 1133 C ARG A 79 -0.582 -6.801 -2.635 1.00 0.00 C ATOM 1134 O ARG A 79 -1.374 -6.509 -3.509 1.00 0.00 O ATOM 1135 CB ARG A 79 -1.011 -8.951 -1.455 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.349 -9.582 -0.104 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.419 -11.103 -0.247 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.071 -11.632 -0.604 1.00 0.00 N ATOM 1139 CZ ARG A 79 0.809 -11.904 0.328 1.00 0.00 C ATOM 1140 NH1 ARG A 79 0.519 -11.722 1.591 1.00 0.00 N ATOM 1141 NH2 ARG A 79 1.980 -12.366 -0.007 1.00 0.00 N ATOM 0 H ARG A 79 -3.090 -7.072 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.360 -7.119 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.729 -9.272 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.028 -9.283 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.594 -9.311 0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.302 -9.197 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.762 -11.551 0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.143 -11.374 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 79 0.168 -11.784 -1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.399 -11.365 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.211 -11.937 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.208 -12.514 -0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.669 -12.580 0.714 1.00 0.00 H new ATOM 1155 N PHE A 80 0.700 -6.593 -2.766 1.00 0.00 N ATOM 1156 CA PHE A 80 1.262 -5.977 -4.008 1.00 0.00 C ATOM 1157 C PHE A 80 2.357 -6.868 -4.577 1.00 0.00 C ATOM 1158 O PHE A 80 3.031 -7.581 -3.863 1.00 0.00 O ATOM 1159 CB PHE A 80 1.850 -4.607 -3.671 1.00 0.00 C ATOM 1160 CG PHE A 80 0.727 -3.624 -3.437 1.00 0.00 C ATOM 1161 CD1 PHE A 80 -0.071 -3.734 -2.293 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.479 -2.607 -4.368 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -1.116 -2.827 -2.078 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.563 -1.701 -4.153 1.00 0.00 C ATOM 1165 CZ PHE A 80 -1.361 -1.809 -3.008 1.00 0.00 C ATOM 0 H PHE A 80 1.394 -6.826 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 80 0.468 -5.867 -4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.478 -4.677 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.487 -4.262 -4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.119 -4.519 -1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.093 -2.523 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.733 -2.912 -1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.753 -0.917 -4.871 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.165 -1.108 -2.842 1.00 0.00 H new ATOM 1175 N LYS A 81 2.529 -6.823 -5.870 1.00 0.00 N ATOM 1176 CA LYS A 81 3.572 -7.657 -6.540 1.00 0.00 C ATOM 1177 C LYS A 81 4.648 -6.753 -7.130 1.00 0.00 C ATOM 1178 O LYS A 81 4.373 -5.838 -7.881 1.00 0.00 O ATOM 1179 CB LYS A 81 2.927 -8.482 -7.656 1.00 0.00 C ATOM 1180 CG LYS A 81 3.984 -9.395 -8.282 1.00 0.00 C ATOM 1181 CD LYS A 81 3.341 -10.262 -9.366 1.00 0.00 C ATOM 1182 CE LYS A 81 4.397 -11.187 -9.978 1.00 0.00 C ATOM 1183 NZ LYS A 81 3.761 -12.046 -11.017 1.00 0.00 N ATOM 0 H LYS A 81 1.984 -6.236 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 81 4.025 -8.327 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.106 -9.077 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.504 -7.823 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.787 -8.796 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.432 -10.027 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.529 -10.852 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.904 -9.630 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.200 -10.598 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.846 -11.808 -9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.477 -12.675 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.009 -12.618 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.353 -11.446 -11.761 1.00 0.00 H new ATOM 1197 N PHE A 82 5.880 -7.022 -6.785 1.00 0.00 N ATOM 1198 CA PHE A 82 7.026 -6.210 -7.298 1.00 0.00 C ATOM 1199 C PHE A 82 8.055 -7.121 -7.963 1.00 0.00 C ATOM 1200 O PHE A 82 8.228 -8.267 -7.596 1.00 0.00 O ATOM 1201 CB PHE A 82 7.677 -5.460 -6.138 1.00 0.00 C ATOM 1202 CG PHE A 82 6.747 -4.368 -5.667 1.00 0.00 C ATOM 1203 CD1 PHE A 82 6.612 -3.195 -6.418 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.020 -4.527 -4.481 1.00 0.00 C ATOM 1205 CE1 PHE A 82 5.751 -2.180 -5.984 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.159 -3.514 -4.046 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.024 -2.340 -4.798 1.00 0.00 C ATOM 0 H PHE A 82 6.146 -7.782 -6.159 1.00 0.00 H new ATOM 0 HA PHE A 82 6.658 -5.495 -8.034 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.893 -6.148 -5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.628 -5.032 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.172 -3.073 -7.333 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.124 -5.432 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.648 -1.274 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.599 -3.637 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.359 -1.558 -4.463 1.00 0.00 H new ATOM 1217 N GLU A 83 8.728 -6.603 -8.951 1.00 0.00 N ATOM 1218 CA GLU A 83 9.752 -7.397 -9.683 1.00 0.00 C ATOM 1219 C GLU A 83 10.961 -7.620 -8.778 1.00 0.00 C ATOM 1220 O GLU A 83 11.618 -8.637 -8.853 1.00 0.00 O ATOM 1221 CB GLU A 83 10.191 -6.629 -10.934 1.00 0.00 C ATOM 1222 CG GLU A 83 11.078 -7.529 -11.800 1.00 0.00 C ATOM 1223 CD GLU A 83 10.229 -8.640 -12.421 1.00 0.00 C ATOM 1224 OE1 GLU A 83 9.017 -8.582 -12.284 1.00 0.00 O ATOM 1225 OE2 GLU A 83 10.804 -9.531 -13.021 1.00 0.00 O ATOM 0 H GLU A 83 8.610 -5.647 -9.287 1.00 0.00 H new ATOM 0 HA GLU A 83 9.329 -8.359 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.318 -6.307 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.736 -5.729 -10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.555 -6.941 -12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.875 -7.961 -11.195 1.00 0.00 H new ATOM 1232 N VAL A 84 11.267 -6.664 -7.936 1.00 0.00 N ATOM 1233 CA VAL A 84 12.450 -6.796 -7.027 1.00 0.00 C ATOM 1234 C VAL A 84 12.062 -6.440 -5.592 1.00 0.00 C ATOM 1235 O VAL A 84 11.046 -5.827 -5.334 1.00 0.00 O ATOM 1236 CB VAL A 84 13.565 -5.859 -7.498 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.021 -6.277 -8.896 1.00 0.00 C ATOM 1238 CG2 VAL A 84 13.056 -4.412 -7.539 1.00 0.00 C ATOM 0 H VAL A 84 10.746 -5.793 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 84 12.799 -7.828 -7.054 1.00 0.00 H new ATOM 0 HB VAL A 84 14.402 -5.922 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.815 -5.611 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.394 -7.301 -8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.179 -6.217 -9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.857 -3.754 -7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.215 -4.342 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.734 -4.111 -6.542 1.00 0.00 H new ATOM 1248 N SER A 85 12.880 -6.845 -4.660 1.00 0.00 N ATOM 1249 CA SER A 85 12.612 -6.569 -3.218 1.00 0.00 C ATOM 1250 C SER A 85 13.212 -5.214 -2.835 1.00 0.00 C ATOM 1251 O SER A 85 12.901 -4.659 -1.802 1.00 0.00 O ATOM 1252 CB SER A 85 13.253 -7.670 -2.367 1.00 0.00 C ATOM 1253 OG SER A 85 12.627 -8.913 -2.663 1.00 0.00 O ATOM 0 H SER A 85 13.739 -7.365 -4.839 1.00 0.00 H new ATOM 0 HA SER A 85 11.536 -6.549 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.322 -7.729 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.144 -7.437 -1.308 1.00 0.00 H new ATOM 0 HG SER A 85 13.035 -9.621 -2.122 1.00 0.00 H new ATOM 1259 N ALA A 86 14.084 -4.691 -3.653 1.00 0.00 N ATOM 1260 CA ALA A 86 14.726 -3.381 -3.341 1.00 0.00 C ATOM 1261 C ALA A 86 13.649 -2.300 -3.224 1.00 0.00 C ATOM 1262 O ALA A 86 13.647 -1.504 -2.304 1.00 0.00 O ATOM 1263 CB ALA A 86 15.692 -3.007 -4.474 1.00 0.00 C ATOM 0 H ALA A 86 14.382 -5.118 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 86 15.271 -3.459 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.163 -2.050 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.459 -3.776 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.141 -2.929 -5.411 1.00 0.00 H new ATOM 1269 N GLU A 87 12.739 -2.272 -4.157 1.00 0.00 N ATOM 1270 CA GLU A 87 11.653 -1.255 -4.136 1.00 0.00 C ATOM 1271 C GLU A 87 10.734 -1.519 -2.947 1.00 0.00 C ATOM 1272 O GLU A 87 10.145 -0.616 -2.398 1.00 0.00 O ATOM 1273 CB GLU A 87 10.845 -1.345 -5.439 1.00 0.00 C ATOM 1274 CG GLU A 87 10.287 -2.763 -5.618 1.00 0.00 C ATOM 1275 CD GLU A 87 9.054 -2.953 -4.731 1.00 0.00 C ATOM 1276 OE1 GLU A 87 8.293 -2.009 -4.596 1.00 0.00 O ATOM 1277 OE2 GLU A 87 8.891 -4.040 -4.201 1.00 0.00 O ATOM 0 H GLU A 87 12.702 -2.920 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 87 12.087 -0.259 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.028 -0.624 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.478 -1.086 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.024 -2.931 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.049 -3.498 -5.359 1.00 0.00 H new ATOM 1284 N LYS A 88 10.601 -2.758 -2.563 1.00 0.00 N ATOM 1285 CA LYS A 88 9.716 -3.109 -1.416 1.00 0.00 C ATOM 1286 C LYS A 88 10.247 -2.449 -0.146 1.00 0.00 C ATOM 1287 O LYS A 88 9.501 -1.886 0.631 1.00 0.00 O ATOM 1288 CB LYS A 88 9.712 -4.634 -1.231 1.00 0.00 C ATOM 1289 CG LYS A 88 8.772 -5.013 -0.085 1.00 0.00 C ATOM 1290 CD LYS A 88 8.720 -6.538 0.052 1.00 0.00 C ATOM 1291 CE LYS A 88 7.856 -6.919 1.258 1.00 0.00 C ATOM 1292 NZ LYS A 88 6.586 -6.142 1.228 1.00 0.00 N ATOM 0 H LYS A 88 11.072 -3.551 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 88 8.703 -2.758 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.392 -5.121 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.721 -4.987 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.119 -4.565 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.773 -4.620 -0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.310 -6.980 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.727 -6.936 0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.641 -7.987 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.396 -6.717 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.602 -5.421 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.485 -5.677 0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.783 -6.784 1.382 1.00 0.00 H new ATOM 1306 N LEU A 89 11.532 -2.537 0.073 1.00 0.00 N ATOM 1307 CA LEU A 89 12.138 -1.941 1.299 1.00 0.00 C ATOM 1308 C LEU A 89 11.942 -0.427 1.296 1.00 0.00 C ATOM 1309 O LEU A 89 11.482 0.149 2.261 1.00 0.00 O ATOM 1310 CB LEU A 89 13.645 -2.242 1.305 1.00 0.00 C ATOM 1311 CG LEU A 89 13.876 -3.757 1.391 1.00 0.00 C ATOM 1312 CD1 LEU A 89 15.373 -4.056 1.258 1.00 0.00 C ATOM 1313 CD2 LEU A 89 13.364 -4.289 2.742 1.00 0.00 C ATOM 0 H LEU A 89 12.193 -3.000 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 89 11.659 -2.367 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.107 -1.846 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.120 -1.744 2.150 1.00 0.00 H new ATOM 0 HG LEU A 89 13.333 -4.248 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.536 -5.132 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.733 -3.688 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.916 -3.560 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.531 -5.365 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.900 -3.797 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.298 -4.082 2.834 1.00 0.00 H new ATOM 1325 N ILE A 90 12.289 0.215 0.215 1.00 0.00 N ATOM 1326 CA ILE A 90 12.130 1.695 0.132 1.00 0.00 C ATOM 1327 C ILE A 90 10.643 2.060 0.069 1.00 0.00 C ATOM 1328 O ILE A 90 10.194 2.988 0.711 1.00 0.00 O ATOM 1329 CB ILE A 90 12.841 2.208 -1.129 1.00 0.00 C ATOM 1330 CG1 ILE A 90 14.354 2.035 -0.962 1.00 0.00 C ATOM 1331 CG2 ILE A 90 12.515 3.691 -1.335 1.00 0.00 C ATOM 1332 CD1 ILE A 90 15.056 2.270 -2.301 1.00 0.00 C ATOM 0 H ILE A 90 12.678 -0.224 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 90 12.570 2.156 1.016 1.00 0.00 H new ATOM 0 HB ILE A 90 12.501 1.641 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.729 2.737 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.576 1.033 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 90 13.020 4.054 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.438 3.814 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.854 4.262 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 90 16.131 2.145 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.691 1.551 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.846 3.281 -2.649 1.00 0.00 H new ATOM 1344 N PHE A 91 9.887 1.346 -0.721 1.00 0.00 N ATOM 1345 CA PHE A 91 8.432 1.640 -0.864 1.00 0.00 C ATOM 1346 C PHE A 91 7.730 1.446 0.480 1.00 0.00 C ATOM 1347 O PHE A 91 6.933 2.262 0.895 1.00 0.00 O ATOM 1348 CB PHE A 91 7.818 0.692 -1.902 1.00 0.00 C ATOM 1349 CG PHE A 91 6.336 0.973 -2.028 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.899 2.176 -2.596 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.401 0.034 -1.574 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.530 2.439 -2.711 1.00 0.00 C ATOM 1353 CE2 PHE A 91 4.032 0.297 -1.689 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.596 1.500 -2.256 1.00 0.00 C ATOM 0 H PHE A 91 10.221 0.561 -1.281 1.00 0.00 H new ATOM 0 HA PHE A 91 8.305 2.672 -1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.308 0.826 -2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.978 -0.344 -1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.619 2.901 -2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.737 -0.894 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.193 3.366 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.312 -0.428 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.539 1.704 -2.343 1.00 0.00 H new ATOM 1364 N GLU A 92 8.019 0.364 1.155 1.00 0.00 N ATOM 1365 CA GLU A 92 7.371 0.097 2.471 1.00 0.00 C ATOM 1366 C GLU A 92 7.829 1.149 3.484 1.00 0.00 C ATOM 1367 O GLU A 92 7.053 1.629 4.286 1.00 0.00 O ATOM 1368 CB GLU A 92 7.767 -1.303 2.966 1.00 0.00 C ATOM 1369 CG GLU A 92 7.068 -1.589 4.298 1.00 0.00 C ATOM 1370 CD GLU A 92 7.399 -3.008 4.768 1.00 0.00 C ATOM 1371 OE1 GLU A 92 7.905 -3.776 3.967 1.00 0.00 O ATOM 1372 OE2 GLU A 92 7.137 -3.303 5.924 1.00 0.00 O ATOM 0 H GLU A 92 8.680 -0.350 0.848 1.00 0.00 H new ATOM 0 HA GLU A 92 6.288 0.146 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.487 -2.054 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.848 -1.365 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.386 -0.865 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.990 -1.477 4.184 1.00 0.00 H new ATOM 1379 N LEU A 93 9.086 1.497 3.457 1.00 0.00 N ATOM 1380 CA LEU A 93 9.610 2.512 4.412 1.00 0.00 C ATOM 1381 C LEU A 93 8.965 3.871 4.128 1.00 0.00 C ATOM 1382 O LEU A 93 8.590 4.593 5.029 1.00 0.00 O ATOM 1383 CB LEU A 93 11.133 2.634 4.237 1.00 0.00 C ATOM 1384 CG LEU A 93 11.752 3.287 5.491 1.00 0.00 C ATOM 1385 CD1 LEU A 93 12.085 2.201 6.518 1.00 0.00 C ATOM 1386 CD2 LEU A 93 13.033 4.036 5.114 1.00 0.00 C ATOM 0 H LEU A 93 9.777 1.118 2.809 1.00 0.00 H new ATOM 0 HA LEU A 93 9.375 2.203 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.570 1.649 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.360 3.232 3.354 1.00 0.00 H new ATOM 0 HG LEU A 93 11.037 3.991 5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.522 2.660 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.174 1.671 6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.796 1.497 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.463 4.493 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.750 3.337 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.800 4.812 4.385 1.00 0.00 H new ATOM 1398 N LYS A 94 8.864 4.223 2.874 1.00 0.00 N ATOM 1399 CA LYS A 94 8.270 5.536 2.490 1.00 0.00 C ATOM 1400 C LYS A 94 6.776 5.546 2.799 1.00 0.00 C ATOM 1401 O LYS A 94 6.218 6.556 3.180 1.00 0.00 O ATOM 1402 CB LYS A 94 8.484 5.773 0.991 1.00 0.00 C ATOM 1403 CG LYS A 94 7.989 7.174 0.621 1.00 0.00 C ATOM 1404 CD LYS A 94 8.384 7.494 -0.823 1.00 0.00 C ATOM 1405 CE LYS A 94 7.804 6.435 -1.769 1.00 0.00 C ATOM 1406 NZ LYS A 94 8.739 5.277 -1.845 1.00 0.00 N ATOM 0 H LYS A 94 9.172 3.649 2.089 1.00 0.00 H new ATOM 0 HA LYS A 94 8.756 6.328 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.541 5.671 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.947 5.021 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.906 7.229 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.418 7.913 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.016 8.482 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.470 7.521 -0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.828 6.106 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.653 6.861 -2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.866 4.998 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.659 5.546 -1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.346 4.477 -1.309 1.00 0.00 H new ATOM 1420 N THR A 95 6.122 4.432 2.610 1.00 0.00 N ATOM 1421 CA THR A 95 4.654 4.362 2.862 1.00 0.00 C ATOM 1422 C THR A 95 4.367 4.652 4.332 1.00 0.00 C ATOM 1423 O THR A 95 3.544 5.484 4.656 1.00 0.00 O ATOM 1424 CB THR A 95 4.150 2.953 2.512 1.00 0.00 C ATOM 1425 OG1 THR A 95 5.064 1.983 3.004 1.00 0.00 O ATOM 1426 CG2 THR A 95 4.023 2.812 0.991 1.00 0.00 C ATOM 0 H THR A 95 6.545 3.561 2.289 1.00 0.00 H new ATOM 0 HA THR A 95 4.144 5.102 2.245 1.00 0.00 H new ATOM 0 HB THR A 95 3.174 2.797 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.766 2.428 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.665 1.812 0.747 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.316 3.552 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.997 2.972 0.528 1.00 0.00 H new ATOM 1434 N ARG A 96 5.049 3.982 5.217 1.00 0.00 N ATOM 1435 CA ARG A 96 4.834 4.220 6.670 1.00 0.00 C ATOM 1436 C ARG A 96 5.258 5.646 7.004 1.00 0.00 C ATOM 1437 O ARG A 96 4.621 6.329 7.781 1.00 0.00 O ATOM 1438 CB ARG A 96 5.677 3.230 7.485 1.00 0.00 C ATOM 1439 CG ARG A 96 5.039 1.840 7.429 1.00 0.00 C ATOM 1440 CD ARG A 96 5.904 0.851 8.217 1.00 0.00 C ATOM 1441 NE ARG A 96 5.098 -0.361 8.550 1.00 0.00 N ATOM 1442 CZ ARG A 96 4.993 -1.351 7.701 1.00 0.00 C ATOM 1443 NH1 ARG A 96 5.582 -1.294 6.538 1.00 0.00 N ATOM 1444 NH2 ARG A 96 4.293 -2.403 8.022 1.00 0.00 N ATOM 0 H ARG A 96 5.750 3.276 4.995 1.00 0.00 H new ATOM 0 HA ARG A 96 3.781 4.079 6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.692 3.191 7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.750 3.566 8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.033 1.873 7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.944 1.513 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.779 0.569 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.270 1.319 9.131 1.00 0.00 H new ATOM 0 HE ARG A 96 4.623 -0.418 9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.130 -0.472 6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.494 -2.071 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.831 -2.451 8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.207 -3.178 7.365 1.00 0.00 H new ATOM 1458 N ALA A 97 6.333 6.091 6.414 1.00 0.00 N ATOM 1459 CA ALA A 97 6.827 7.470 6.675 1.00 0.00 C ATOM 1460 C ALA A 97 5.763 8.470 6.235 1.00 0.00 C ATOM 1461 O ALA A 97 5.535 9.472 6.881 1.00 0.00 O ATOM 1462 CB ALA A 97 8.111 7.707 5.865 1.00 0.00 C ATOM 0 H ALA A 97 6.895 5.551 5.756 1.00 0.00 H new ATOM 0 HA ALA A 97 7.035 7.595 7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.478 8.716 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.869 6.984 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.898 7.590 4.803 1.00 0.00 H new