USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 576 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 80 HIS :FLIP no HD1:sc= -0.205 F(o=-0.88,f=-0.21) USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -0.036 (180deg=-0.265) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.0052) USER MOD Single : A 61 SER OG : rot -31:sc= 0.437 USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.0292 K(o=0.029,f=-3.5!) USER MOD Single : A 86 CYS SG : rot 130:sc= -0.462 USER MOD Single : A 93 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0.027) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 99 GLN : amide:sc= -2.68 K(o=-2.7,f=-7.7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -2.72 USER MOD Single : A 106 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 108 THR OG1 : rot 83:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -10.672 7.876 -4.023 1.00 0.00 N ATOM 428 CA SER A 31 -11.866 7.173 -3.569 1.00 0.00 C ATOM 429 C SER A 31 -11.495 5.946 -2.743 1.00 0.00 C ATOM 430 O SER A 31 -10.473 5.304 -2.991 1.00 0.00 O ATOM 431 CB SER A 31 -12.724 6.756 -4.765 1.00 0.00 C ATOM 432 OG SER A 31 -14.104 6.830 -4.454 1.00 0.00 O ATOM 0 HA SER A 31 -12.439 7.853 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.505 7.401 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.469 5.739 -5.062 1.00 0.00 H new ATOM 0 HG SER A 31 -14.630 6.560 -5.235 1.00 0.00 H new ATOM 438 N ALA A 32 -12.330 5.624 -1.761 1.00 0.00 N ATOM 439 CA ALA A 32 -12.090 4.473 -0.899 1.00 0.00 C ATOM 440 C ALA A 32 -12.039 3.183 -1.710 1.00 0.00 C ATOM 441 O ALA A 32 -11.160 2.346 -1.509 1.00 0.00 O ATOM 442 CB ALA A 32 -13.165 4.386 0.173 1.00 0.00 C ATOM 0 H ALA A 32 -13.180 6.144 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.122 4.605 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.974 3.522 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.150 5.293 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.142 4.280 -0.299 1.00 0.00 H new ATOM 448 N ASP A 33 -12.990 3.028 -2.627 1.00 0.00 N ATOM 449 CA ASP A 33 -13.055 1.839 -3.469 1.00 0.00 C ATOM 450 C ASP A 33 -11.789 1.699 -4.310 1.00 0.00 C ATOM 451 O ASP A 33 -11.367 0.588 -4.631 1.00 0.00 O ATOM 452 CB ASP A 33 -14.283 1.900 -4.378 1.00 0.00 C ATOM 453 CG ASP A 33 -14.922 0.539 -4.577 1.00 0.00 C ATOM 454 OD1 ASP A 33 -14.186 -0.469 -4.570 1.00 0.00 O ATOM 455 OD2 ASP A 33 -16.159 0.483 -4.741 1.00 0.00 O ATOM 0 H ASP A 33 -13.726 3.711 -2.805 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.136 0.967 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.016 2.583 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.995 2.308 -5.347 1.00 0.00 H new ATOM 460 N TYR A 34 -11.192 2.832 -4.665 1.00 0.00 N ATOM 461 CA TYR A 34 -9.976 2.834 -5.470 1.00 0.00 C ATOM 462 C TYR A 34 -8.842 2.113 -4.746 1.00 0.00 C ATOM 463 O TYR A 34 -8.168 1.260 -5.324 1.00 0.00 O ATOM 464 CB TYR A 34 -9.558 4.270 -5.794 1.00 0.00 C ATOM 465 CG TYR A 34 -8.315 4.361 -6.653 1.00 0.00 C ATOM 466 CD1 TYR A 34 -8.296 3.835 -7.938 1.00 0.00 C ATOM 467 CD2 TYR A 34 -7.163 4.975 -6.177 1.00 0.00 C ATOM 468 CE1 TYR A 34 -7.163 3.916 -8.725 1.00 0.00 C ATOM 469 CE2 TYR A 34 -6.027 5.060 -6.958 1.00 0.00 C ATOM 470 CZ TYR A 34 -6.031 4.530 -8.230 1.00 0.00 C ATOM 471 OH TYR A 34 -4.901 4.613 -9.011 1.00 0.00 O ATOM 0 H TYR A 34 -11.530 3.760 -4.408 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.184 2.304 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.380 4.772 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.385 4.808 -4.862 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.181 3.355 -8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.156 5.392 -5.181 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.164 3.501 -9.722 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.139 5.540 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.194 5.076 -8.515 1.00 0.00 H new ATOM 481 N LEU A 35 -8.639 2.461 -3.481 1.00 0.00 N ATOM 482 CA LEU A 35 -7.587 1.847 -2.678 1.00 0.00 C ATOM 483 C LEU A 35 -7.903 0.382 -2.397 1.00 0.00 C ATOM 484 O LEU A 35 -7.008 -0.462 -2.373 1.00 0.00 O ATOM 485 CB LEU A 35 -7.412 2.606 -1.361 1.00 0.00 C ATOM 486 CG LEU A 35 -7.199 4.114 -1.504 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.944 4.749 -0.145 1.00 0.00 C ATOM 488 CD2 LEU A 35 -6.046 4.401 -2.455 1.00 0.00 C ATOM 0 H LEU A 35 -9.189 3.165 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.656 1.897 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.293 2.436 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.561 2.184 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.106 4.552 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.795 5.822 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.801 4.573 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.053 4.307 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.908 5.479 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.133 3.950 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.270 3.981 -3.435 1.00 0.00 H new ATOM 500 N ARG A 36 -9.181 0.087 -2.185 1.00 0.00 N ATOM 501 CA ARG A 36 -9.614 -1.278 -1.907 1.00 0.00 C ATOM 502 C ARG A 36 -9.464 -2.159 -3.141 1.00 0.00 C ATOM 503 O ARG A 36 -8.835 -3.216 -3.089 1.00 0.00 O ATOM 504 CB ARG A 36 -11.069 -1.287 -1.433 1.00 0.00 C ATOM 505 CG ARG A 36 -11.510 -2.619 -0.847 1.00 0.00 C ATOM 506 CD ARG A 36 -12.942 -2.559 -0.342 1.00 0.00 C ATOM 507 NE ARG A 36 -13.889 -2.266 -1.416 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.197 -2.499 -1.335 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.717 -3.027 -0.233 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.988 -2.203 -2.357 1.00 0.00 N ATOM 0 H ARG A 36 -9.935 0.774 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.979 -1.680 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.203 -0.507 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.717 -1.036 -2.273 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.423 -3.398 -1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.846 -2.895 -0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.203 -3.510 0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.022 -1.795 0.431 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.526 -1.859 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.113 -3.256 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.720 -3.203 -0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.594 -1.797 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.990 -2.382 -2.295 1.00 0.00 H new ATOM 524 N GLU A 37 -10.047 -1.718 -4.252 1.00 0.00 N ATOM 525 CA GLU A 37 -9.979 -2.467 -5.501 1.00 0.00 C ATOM 526 C GLU A 37 -8.532 -2.644 -5.951 1.00 0.00 C ATOM 527 O GLU A 37 -8.189 -3.638 -6.591 1.00 0.00 O ATOM 528 CB GLU A 37 -10.780 -1.753 -6.591 1.00 0.00 C ATOM 529 CG GLU A 37 -12.285 -1.850 -6.403 1.00 0.00 C ATOM 530 CD GLU A 37 -12.873 -3.093 -7.040 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.161 -4.116 -7.114 1.00 0.00 O ATOM 532 OE2 GLU A 37 -14.047 -3.043 -7.466 1.00 0.00 O ATOM 0 H GLU A 37 -10.572 -0.845 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.410 -3.453 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.492 -0.702 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.515 -2.176 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.515 -1.849 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.759 -0.967 -6.833 1.00 0.00 H new ATOM 539 N LYS A 38 -7.689 -1.674 -5.614 1.00 0.00 N ATOM 540 CA LYS A 38 -6.279 -1.724 -5.985 1.00 0.00 C ATOM 541 C LYS A 38 -5.581 -2.905 -5.318 1.00 0.00 C ATOM 542 O LYS A 38 -5.046 -3.784 -5.993 1.00 0.00 O ATOM 543 CB LYS A 38 -5.582 -0.419 -5.597 1.00 0.00 C ATOM 544 CG LYS A 38 -4.129 -0.351 -6.036 1.00 0.00 C ATOM 545 CD LYS A 38 -3.394 0.793 -5.358 1.00 0.00 C ATOM 546 CE LYS A 38 -2.234 1.291 -6.204 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.702 2.005 -7.424 1.00 0.00 N ATOM 0 H LYS A 38 -7.957 -0.844 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.218 -1.853 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.125 0.418 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.632 -0.298 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.633 -1.293 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.080 -0.225 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.088 1.613 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.022 0.463 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.611 1.959 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.608 0.447 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.943 2.621 -7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.955 1.311 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.535 2.582 -7.191 1.00 0.00 H new ATOM 561 N LEU A 39 -5.590 -2.917 -3.989 1.00 0.00 N ATOM 562 CA LEU A 39 -4.956 -3.990 -3.230 1.00 0.00 C ATOM 563 C LEU A 39 -5.689 -5.312 -3.439 1.00 0.00 C ATOM 564 O LEU A 39 -5.086 -6.383 -3.380 1.00 0.00 O ATOM 565 CB LEU A 39 -4.927 -3.641 -1.741 1.00 0.00 C ATOM 566 CG LEU A 39 -4.393 -2.245 -1.413 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.081 -1.689 -0.176 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.887 -2.285 -1.215 1.00 0.00 C ATOM 0 H LEU A 39 -6.029 -2.197 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.934 -4.101 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.938 -3.729 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.315 -4.379 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.611 -1.585 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.689 -0.696 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.154 -1.624 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.893 -2.348 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.524 -1.284 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.646 -2.959 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.409 -2.641 -2.128 1.00 0.00 H new ATOM 580 N ARG A 40 -6.994 -5.228 -3.683 1.00 0.00 N ATOM 581 CA ARG A 40 -7.810 -6.419 -3.901 1.00 0.00 C ATOM 582 C ARG A 40 -7.280 -7.242 -5.061 1.00 0.00 C ATOM 583 O ARG A 40 -6.997 -8.430 -4.914 1.00 0.00 O ATOM 584 CB ARG A 40 -9.265 -6.025 -4.160 1.00 0.00 C ATOM 585 CG ARG A 40 -10.226 -7.203 -4.138 1.00 0.00 C ATOM 586 CD ARG A 40 -11.673 -6.742 -4.226 1.00 0.00 C ATOM 587 NE ARG A 40 -12.187 -6.812 -5.592 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.573 -7.941 -6.182 1.00 0.00 C ATOM 589 NH1 ARG A 40 -12.504 -9.095 -5.531 1.00 0.00 N ATOM 590 NH2 ARG A 40 -13.029 -7.916 -7.427 1.00 0.00 N ATOM 0 H ARG A 40 -7.509 -4.349 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.760 -7.030 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.576 -5.299 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.332 -5.530 -5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.004 -7.871 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.080 -7.776 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.291 -7.360 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.750 -5.718 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.254 -5.945 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.154 -9.120 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.801 -9.957 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.084 -7.032 -7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.325 -8.781 -7.879 1.00 0.00 H new ATOM 604 N GLN A 41 -7.152 -6.608 -6.212 1.00 0.00 N ATOM 605 CA GLN A 41 -6.660 -7.292 -7.396 1.00 0.00 C ATOM 606 C GLN A 41 -5.152 -7.509 -7.317 1.00 0.00 C ATOM 607 O GLN A 41 -4.626 -8.482 -7.855 1.00 0.00 O ATOM 608 CB GLN A 41 -7.015 -6.503 -8.657 1.00 0.00 C ATOM 609 CG GLN A 41 -8.469 -6.066 -8.713 1.00 0.00 C ATOM 610 CD GLN A 41 -9.299 -6.921 -9.652 1.00 0.00 C ATOM 611 OE1 GLN A 41 -10.137 -7.708 -9.214 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.068 -6.769 -10.951 1.00 0.00 N ATOM 0 H GLN A 41 -7.381 -5.624 -6.353 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.143 -8.268 -7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.377 -5.621 -8.715 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.794 -7.114 -9.532 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.897 -6.112 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.520 -5.026 -9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.363 -6.104 -11.269 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.596 -7.317 -11.630 1.00 0.00 H new ATOM 621 N ASP A 42 -4.461 -6.595 -6.641 1.00 0.00 N ATOM 622 CA ASP A 42 -3.014 -6.689 -6.493 1.00 0.00 C ATOM 623 C ASP A 42 -2.629 -7.931 -5.695 1.00 0.00 C ATOM 624 O ASP A 42 -1.868 -8.774 -6.168 1.00 0.00 O ATOM 625 CB ASP A 42 -2.470 -5.435 -5.806 1.00 0.00 C ATOM 626 CG ASP A 42 -1.879 -4.447 -6.793 1.00 0.00 C ATOM 627 OD1 ASP A 42 -2.634 -3.930 -7.641 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.658 -4.190 -6.716 1.00 0.00 O ATOM 0 H ASP A 42 -4.880 -5.783 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.575 -6.769 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.273 -4.952 -5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.707 -5.722 -5.082 1.00 0.00 H new ATOM 633 N LEU A 43 -3.162 -8.035 -4.481 1.00 0.00 N ATOM 634 CA LEU A 43 -2.875 -9.174 -3.615 1.00 0.00 C ATOM 635 C LEU A 43 -3.843 -10.326 -3.876 1.00 0.00 C ATOM 636 O LEU A 43 -3.605 -11.455 -3.446 1.00 0.00 O ATOM 637 CB LEU A 43 -2.951 -8.753 -2.146 1.00 0.00 C ATOM 638 CG LEU A 43 -1.969 -7.655 -1.734 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.479 -6.915 -0.508 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.592 -8.244 -1.470 1.00 0.00 C ATOM 0 H LEU A 43 -3.794 -7.345 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.866 -9.519 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.964 -8.411 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.774 -9.630 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.886 -6.942 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.767 -6.138 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.444 -6.460 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.592 -7.616 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.094 -7.449 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.658 -8.979 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.223 -8.727 -2.375 1.00 0.00 H new ATOM 652 N GLU A 44 -4.937 -10.038 -4.579 1.00 0.00 N ATOM 653 CA GLU A 44 -5.934 -11.055 -4.890 1.00 0.00 C ATOM 654 C GLU A 44 -6.539 -11.629 -3.613 1.00 0.00 C ATOM 655 O GLU A 44 -6.458 -12.831 -3.357 1.00 0.00 O ATOM 656 CB GLU A 44 -5.310 -12.175 -5.726 1.00 0.00 C ATOM 657 CG GLU A 44 -5.025 -11.774 -7.164 1.00 0.00 C ATOM 658 CD GLU A 44 -5.360 -12.872 -8.153 1.00 0.00 C ATOM 659 OE1 GLU A 44 -5.436 -14.047 -7.734 1.00 0.00 O ATOM 660 OE2 GLU A 44 -5.544 -12.560 -9.348 1.00 0.00 O ATOM 0 H GLU A 44 -5.153 -9.110 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.730 -10.585 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.380 -12.493 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.979 -13.035 -5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.601 -10.881 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.972 -11.511 -7.262 1.00 0.00 H new ATOM 667 N ALA A 45 -7.148 -10.759 -2.812 1.00 0.00 N ATOM 668 CA ALA A 45 -7.767 -11.176 -1.560 1.00 0.00 C ATOM 669 C ALA A 45 -9.158 -11.751 -1.799 1.00 0.00 C ATOM 670 O ALA A 45 -9.668 -11.723 -2.920 1.00 0.00 O ATOM 671 CB ALA A 45 -7.837 -10.003 -0.593 1.00 0.00 C ATOM 0 H ALA A 45 -7.225 -9.761 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.151 -11.960 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.301 -10.327 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.830 -9.639 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.430 -9.202 -1.035 1.00 0.00 H new ATOM 677 N GLU A 46 -9.769 -12.272 -0.740 1.00 0.00 N ATOM 678 CA GLU A 46 -11.102 -12.853 -0.834 1.00 0.00 C ATOM 679 C GLU A 46 -12.170 -11.824 -0.479 1.00 0.00 C ATOM 680 O GLU A 46 -13.115 -11.609 -1.237 1.00 0.00 O ATOM 681 CB GLU A 46 -11.219 -14.067 0.090 1.00 0.00 C ATOM 682 CG GLU A 46 -12.481 -14.883 -0.134 1.00 0.00 C ATOM 683 CD GLU A 46 -12.357 -16.303 0.383 1.00 0.00 C ATOM 684 OE1 GLU A 46 -11.463 -17.033 -0.094 1.00 0.00 O ATOM 685 OE2 GLU A 46 -13.154 -16.686 1.266 1.00 0.00 O ATOM 0 H GLU A 46 -9.361 -12.303 0.194 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.260 -13.173 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.350 -14.709 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.194 -13.728 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.319 -14.392 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.709 -14.907 -1.200 1.00 0.00 H new ATOM 692 N HIS A 47 -12.013 -11.193 0.681 1.00 0.00 N ATOM 693 CA HIS A 47 -12.965 -10.186 1.137 1.00 0.00 C ATOM 694 C HIS A 47 -12.255 -8.876 1.462 1.00 0.00 C ATOM 695 O HIS A 47 -11.214 -8.868 2.120 1.00 0.00 O ATOM 696 CB HIS A 47 -13.721 -10.691 2.368 1.00 0.00 C ATOM 697 CG HIS A 47 -15.058 -11.282 2.048 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.247 -10.616 2.264 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.394 -12.484 1.522 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.254 -11.385 1.886 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.763 -12.522 1.432 1.00 0.00 N ATOM 0 H HIS A 47 -11.237 -11.361 1.321 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.677 -10.002 0.333 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.114 -11.441 2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.856 -9.865 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.711 -13.267 1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -18.301 -11.126 1.940 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.312 -13.303 1.072 1.00 0.00 H new ATOM 710 N VAL A 48 -12.824 -7.768 0.996 1.00 0.00 N ATOM 711 CA VAL A 48 -12.246 -6.452 1.236 1.00 0.00 C ATOM 712 C VAL A 48 -13.302 -5.471 1.733 1.00 0.00 C ATOM 713 O VAL A 48 -14.464 -5.536 1.330 1.00 0.00 O ATOM 714 CB VAL A 48 -11.594 -5.883 -0.039 1.00 0.00 C ATOM 715 CG1 VAL A 48 -10.398 -6.726 -0.450 1.00 0.00 C ATOM 716 CG2 VAL A 48 -12.611 -5.800 -1.167 1.00 0.00 C ATOM 0 H VAL A 48 -13.685 -7.757 0.450 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.480 -6.578 2.002 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.240 -4.874 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.951 -6.308 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.661 -6.727 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.723 -7.748 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.133 -5.396 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.998 -6.796 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.432 -5.148 -0.869 1.00 0.00 H new ATOM 726 N GLU A 49 -12.891 -4.562 2.611 1.00 0.00 N ATOM 727 CA GLU A 49 -13.802 -3.566 3.164 1.00 0.00 C ATOM 728 C GLU A 49 -13.095 -2.228 3.355 1.00 0.00 C ATOM 729 O GLU A 49 -12.062 -2.150 4.020 1.00 0.00 O ATOM 730 CB GLU A 49 -14.370 -4.051 4.499 1.00 0.00 C ATOM 731 CG GLU A 49 -15.579 -4.960 4.352 1.00 0.00 C ATOM 732 CD GLU A 49 -15.565 -6.110 5.340 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.065 -5.929 6.470 1.00 0.00 O ATOM 734 OE2 GLU A 49 -15.055 -7.193 4.982 1.00 0.00 O ATOM 0 H GLU A 49 -11.933 -4.494 2.955 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.620 -3.426 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.590 -4.583 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.647 -3.186 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.488 -4.375 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.609 -5.357 3.337 1.00 0.00 H new ATOM 741 N VAL A 50 -13.658 -1.177 2.766 1.00 0.00 N ATOM 742 CA VAL A 50 -13.081 0.157 2.872 1.00 0.00 C ATOM 743 C VAL A 50 -14.115 1.166 3.362 1.00 0.00 C ATOM 744 O VAL A 50 -15.299 1.061 3.043 1.00 0.00 O ATOM 745 CB VAL A 50 -12.512 0.631 1.519 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.613 0.718 0.473 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.805 1.970 1.673 1.00 0.00 C ATOM 0 H VAL A 50 -14.513 -1.224 2.211 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.269 0.096 3.596 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.780 -0.102 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.190 1.054 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.066 -0.264 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.373 1.426 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.411 2.287 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.512 2.715 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.985 1.869 2.384 1.00 0.00 H new ATOM 757 N GLU A 51 -13.659 2.142 4.141 1.00 0.00 N ATOM 758 CA GLU A 51 -14.544 3.170 4.675 1.00 0.00 C ATOM 759 C GLU A 51 -13.838 4.518 4.738 1.00 0.00 C ATOM 760 O GLU A 51 -12.614 4.596 4.628 1.00 0.00 O ATOM 761 CB GLU A 51 -15.038 2.773 6.069 1.00 0.00 C ATOM 762 CG GLU A 51 -16.466 3.208 6.354 1.00 0.00 C ATOM 763 CD GLU A 51 -17.458 2.646 5.352 1.00 0.00 C ATOM 764 OE1 GLU A 51 -17.622 3.255 4.274 1.00 0.00 O ATOM 765 OE2 GLU A 51 -18.070 1.598 5.647 1.00 0.00 O ATOM 0 H GLU A 51 -12.682 2.242 4.416 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.399 3.261 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.968 1.690 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.377 3.210 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.747 2.886 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.520 4.297 6.342 1.00 0.00 H new ATOM 772 N ASP A 52 -14.619 5.577 4.912 1.00 0.00 N ATOM 773 CA ASP A 52 -14.074 6.926 4.987 1.00 0.00 C ATOM 774 C ASP A 52 -14.785 7.737 6.067 1.00 0.00 C ATOM 775 O ASP A 52 -16.013 7.826 6.082 1.00 0.00 O ATOM 776 CB ASP A 52 -14.207 7.619 3.626 1.00 0.00 C ATOM 777 CG ASP A 52 -13.796 9.078 3.668 1.00 0.00 C ATOM 778 OD1 ASP A 52 -13.085 9.469 4.618 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.186 9.831 2.750 1.00 0.00 O ATOM 0 H ASP A 52 -15.634 5.527 5.004 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.018 6.861 5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.593 7.094 2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.240 7.547 3.286 1.00 0.00 H new ATOM 904 N SER A 61 -9.083 10.785 6.249 1.00 0.00 N ATOM 905 CA SER A 61 -8.695 9.468 6.738 1.00 0.00 C ATOM 906 C SER A 61 -9.380 8.367 5.936 1.00 0.00 C ATOM 907 O SER A 61 -10.431 8.587 5.332 1.00 0.00 O ATOM 908 CB SER A 61 -9.045 9.327 8.221 1.00 0.00 C ATOM 909 OG SER A 61 -10.259 9.992 8.524 1.00 0.00 O ATOM 0 HA SER A 61 -7.617 9.366 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.131 8.271 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.239 9.739 8.829 1.00 0.00 H new ATOM 0 HG SER A 61 -10.361 10.770 7.937 1.00 0.00 H new ATOM 915 N PHE A 62 -8.780 7.181 5.932 1.00 0.00 N ATOM 916 CA PHE A 62 -9.335 6.047 5.202 1.00 0.00 C ATOM 917 C PHE A 62 -8.971 4.729 5.880 1.00 0.00 C ATOM 918 O PHE A 62 -7.925 4.616 6.519 1.00 0.00 O ATOM 919 CB PHE A 62 -8.827 6.045 3.758 1.00 0.00 C ATOM 920 CG PHE A 62 -9.471 7.092 2.895 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.777 6.942 2.457 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.768 8.226 2.520 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.371 7.904 1.662 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.357 9.191 1.725 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.660 9.030 1.296 1.00 0.00 C ATOM 0 H PHE A 62 -7.910 6.980 6.426 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.420 6.147 5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.748 6.201 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.006 5.063 3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.337 6.063 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.749 8.357 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.390 7.775 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.799 10.070 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.122 9.783 0.675 1.00 0.00 H new ATOM 935 N ARG A 63 -9.842 3.735 5.735 1.00 0.00 N ATOM 936 CA ARG A 63 -9.615 2.424 6.330 1.00 0.00 C ATOM 937 C ARG A 63 -9.752 1.323 5.282 1.00 0.00 C ATOM 938 O ARG A 63 -10.626 1.382 4.419 1.00 0.00 O ATOM 939 CB ARG A 63 -10.602 2.182 7.474 1.00 0.00 C ATOM 940 CG ARG A 63 -10.092 2.652 8.827 1.00 0.00 C ATOM 941 CD ARG A 63 -10.605 4.043 9.163 1.00 0.00 C ATOM 942 NE ARG A 63 -9.598 5.072 8.917 1.00 0.00 N ATOM 943 CZ ARG A 63 -8.571 5.314 9.730 1.00 0.00 C ATOM 944 NH1 ARG A 63 -8.414 4.604 10.841 1.00 0.00 N ATOM 945 NH2 ARG A 63 -7.700 6.267 9.432 1.00 0.00 N ATOM 0 H ARG A 63 -10.713 3.814 5.210 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.600 2.401 6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.538 2.694 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.827 1.117 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.407 1.950 9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.002 2.656 8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.493 4.255 8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.908 4.075 10.210 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.686 5.638 8.073 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.082 3.869 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.626 4.793 11.460 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.816 6.816 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.914 6.452 10.055 1.00 0.00 H new ATOM 959 N VAL A 64 -8.881 0.323 5.365 1.00 0.00 N ATOM 960 CA VAL A 64 -8.907 -0.788 4.421 1.00 0.00 C ATOM 961 C VAL A 64 -8.755 -2.125 5.138 1.00 0.00 C ATOM 962 O VAL A 64 -8.066 -2.223 6.153 1.00 0.00 O ATOM 963 CB VAL A 64 -7.792 -0.656 3.366 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.141 0.421 2.351 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.458 -0.357 4.034 1.00 0.00 C ATOM 0 H VAL A 64 -8.150 0.259 6.074 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.876 -0.754 3.922 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.703 -1.605 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.342 0.499 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.073 0.160 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.259 1.377 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.682 -0.267 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.531 0.578 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.204 -1.167 4.718 1.00 0.00 H new ATOM 975 N LEU A 65 -9.403 -3.154 4.600 1.00 0.00 N ATOM 976 CA LEU A 65 -9.341 -4.488 5.185 1.00 0.00 C ATOM 977 C LEU A 65 -9.079 -5.539 4.112 1.00 0.00 C ATOM 978 O LEU A 65 -9.706 -5.527 3.053 1.00 0.00 O ATOM 979 CB LEU A 65 -10.644 -4.807 5.922 1.00 0.00 C ATOM 980 CG LEU A 65 -10.491 -5.711 7.146 1.00 0.00 C ATOM 981 CD1 LEU A 65 -9.792 -7.007 6.768 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.725 -4.991 8.246 1.00 0.00 C ATOM 0 H LEU A 65 -9.977 -3.089 3.759 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.516 -4.508 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.104 -3.870 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.332 -5.282 5.223 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.485 -5.955 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.692 -7.638 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.379 -7.530 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.803 -6.784 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.625 -5.648 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.735 -4.718 7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.266 -4.090 8.536 1.00 0.00 H new ATOM 994 N VAL A 66 -8.150 -6.446 4.391 1.00 0.00 N ATOM 995 CA VAL A 66 -7.806 -7.503 3.448 1.00 0.00 C ATOM 996 C VAL A 66 -7.701 -8.854 4.147 1.00 0.00 C ATOM 997 O VAL A 66 -6.995 -8.995 5.146 1.00 0.00 O ATOM 998 CB VAL A 66 -6.476 -7.205 2.730 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.236 -8.207 1.612 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.467 -5.782 2.192 1.00 0.00 C ATOM 0 H VAL A 66 -7.621 -6.470 5.263 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.608 -7.540 2.711 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.665 -7.301 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.292 -7.980 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.195 -9.214 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.049 -8.147 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.520 -5.590 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.287 -5.655 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.588 -5.080 3.017 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.408 -9.845 3.614 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.396 -11.187 4.184 1.00 0.00 C ATOM 1012 C VAL A 67 -8.228 -12.244 3.098 1.00 0.00 C ATOM 1013 O VAL A 67 -9.052 -12.348 2.189 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.689 -11.476 4.970 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.586 -12.804 5.702 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -9.987 -10.344 5.942 1.00 0.00 C ATOM 0 H VAL A 67 -8.997 -9.744 2.787 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.547 -11.233 4.866 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.515 -11.543 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.509 -12.989 6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.425 -13.605 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.749 -12.771 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.904 -10.565 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.161 -10.242 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.110 -9.413 5.389 1.00 0.00 H new ATOM 1026 N SER A 68 -7.157 -13.024 3.197 1.00 0.00 N ATOM 1027 CA SER A 68 -6.883 -14.074 2.222 1.00 0.00 C ATOM 1028 C SER A 68 -5.612 -14.835 2.583 1.00 0.00 C ATOM 1029 O SER A 68 -4.958 -14.535 3.581 1.00 0.00 O ATOM 1030 CB SER A 68 -6.749 -13.474 0.820 1.00 0.00 C ATOM 1031 OG SER A 68 -7.315 -14.330 -0.157 1.00 0.00 O ATOM 0 H SER A 68 -6.465 -12.949 3.942 1.00 0.00 H new ATOM 0 HA SER A 68 -7.719 -14.773 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.243 -12.503 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.697 -13.304 0.593 1.00 0.00 H new ATOM 0 HG SER A 68 -6.953 -14.104 -1.039 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.268 -15.823 1.762 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.076 -16.630 1.992 1.00 0.00 C ATOM 1039 C ALA A 69 -2.830 -15.960 1.418 1.00 0.00 C ATOM 1040 O ALA A 69 -1.706 -16.319 1.769 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.255 -18.015 1.390 1.00 0.00 C ATOM 0 H ALA A 69 -5.799 -16.083 0.931 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.938 -16.725 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.358 -18.608 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.112 -18.505 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.424 -17.926 0.317 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.032 -14.985 0.534 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.921 -14.269 -0.086 1.00 0.00 C ATOM 1049 C LYS A 70 -0.950 -13.743 0.969 1.00 0.00 C ATOM 1050 O LYS A 70 0.258 -13.675 0.737 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.446 -13.110 -0.935 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.351 -12.326 -1.642 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.651 -13.173 -2.693 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.530 -13.387 -3.914 1.00 0.00 C ATOM 1055 NZ LYS A 70 -1.185 -14.644 -4.634 1.00 0.00 N ATOM 0 H LYS A 70 -3.955 -14.673 0.232 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.385 -14.969 -0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.139 -13.501 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.013 -12.432 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.781 -11.442 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.622 -11.976 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.278 -12.688 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.382 -14.138 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.575 -13.420 -3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.423 -12.540 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.807 -14.753 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.195 -14.603 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.312 -15.455 -3.996 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.486 -13.372 2.127 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.668 -12.855 3.217 1.00 0.00 C ATOM 1071 C PHE A 71 0.104 -13.979 3.900 1.00 0.00 C ATOM 1072 O PHE A 71 1.203 -13.770 4.413 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.543 -12.128 4.239 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.151 -10.858 3.714 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.382 -9.947 3.008 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.490 -10.577 3.926 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.938 -8.778 2.524 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -4.052 -9.410 3.445 1.00 0.00 C ATOM 1079 CZ PHE A 71 -3.276 -8.509 2.743 1.00 0.00 C ATOM 0 H PHE A 71 -2.484 -13.420 2.334 1.00 0.00 H new ATOM 0 HA PHE A 71 0.049 -12.150 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.341 -12.796 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.943 -11.897 5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.336 -10.153 2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.102 -11.278 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.328 -8.076 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.098 -9.203 3.618 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.713 -7.596 2.366 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.480 -15.174 3.903 1.00 0.00 N ATOM 1090 CA GLU A 72 0.149 -16.332 4.522 1.00 0.00 C ATOM 1091 C GLU A 72 1.451 -16.689 3.811 1.00 0.00 C ATOM 1092 O GLU A 72 2.392 -17.188 4.429 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.807 -17.526 4.497 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.475 -17.798 5.835 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.581 -18.569 6.787 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.489 -19.806 6.644 1.00 0.00 O ATOM 1097 OE2 GLU A 72 0.026 -17.934 7.675 1.00 0.00 O ATOM 0 H GLU A 72 -1.390 -15.364 3.482 1.00 0.00 H new ATOM 0 HA GLU A 72 0.381 -16.082 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.576 -17.349 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.257 -18.415 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.758 -16.851 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.394 -18.360 5.670 1.00 0.00 H new ATOM 1104 N GLY A 73 1.499 -16.430 2.508 1.00 0.00 N ATOM 1105 CA GLY A 73 2.690 -16.730 1.735 1.00 0.00 C ATOM 1106 C GLY A 73 3.914 -15.998 2.247 1.00 0.00 C ATOM 1107 O GLY A 73 4.964 -16.603 2.460 1.00 0.00 O ATOM 0 H GLY A 73 0.734 -16.018 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.875 -17.804 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.520 -16.461 0.692 1.00 0.00 H new ATOM 1111 N LYS A 74 3.780 -14.690 2.443 1.00 0.00 N ATOM 1112 CA LYS A 74 4.884 -13.874 2.932 1.00 0.00 C ATOM 1113 C LYS A 74 4.784 -13.668 4.441 1.00 0.00 C ATOM 1114 O LYS A 74 3.712 -13.822 5.027 1.00 0.00 O ATOM 1115 CB LYS A 74 4.899 -12.519 2.220 1.00 0.00 C ATOM 1116 CG LYS A 74 4.874 -12.627 0.704 1.00 0.00 C ATOM 1117 CD LYS A 74 3.473 -12.911 0.188 1.00 0.00 C ATOM 1118 CE LYS A 74 3.204 -12.187 -1.120 1.00 0.00 C ATOM 1119 NZ LYS A 74 3.669 -12.972 -2.296 1.00 0.00 N ATOM 0 H LYS A 74 2.918 -14.173 2.270 1.00 0.00 H new ATOM 0 HA LYS A 74 5.814 -14.400 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.039 -11.936 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.790 -11.969 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.243 -11.699 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.549 -13.421 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.348 -13.984 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.740 -12.602 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.136 -11.992 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.705 -11.219 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.467 -12.443 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.693 -13.137 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.172 -13.885 -2.322 1.00 0.00 H new ATOM 1133 N PRO A 75 5.906 -13.314 5.093 1.00 0.00 N ATOM 1134 CA PRO A 75 5.939 -13.087 6.541 1.00 0.00 C ATOM 1135 C PRO A 75 4.867 -12.103 6.998 1.00 0.00 C ATOM 1136 O PRO A 75 4.042 -11.654 6.202 1.00 0.00 O ATOM 1137 CB PRO A 75 7.334 -12.505 6.780 1.00 0.00 C ATOM 1138 CG PRO A 75 8.156 -13.016 5.648 1.00 0.00 C ATOM 1139 CD PRO A 75 7.226 -13.109 4.470 1.00 0.00 C ATOM 0 HA PRO A 75 5.743 -14.002 7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.312 -11.415 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.738 -12.827 7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.988 -12.345 5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.584 -13.990 5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.249 -12.201 3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.493 -13.936 3.812 1.00 0.00 H new ATOM 1147 N LEU A 76 4.883 -11.774 8.286 1.00 0.00 N ATOM 1148 CA LEU A 76 3.913 -10.843 8.849 1.00 0.00 C ATOM 1149 C LEU A 76 4.303 -9.400 8.550 1.00 0.00 C ATOM 1150 O LEU A 76 3.464 -8.585 8.168 1.00 0.00 O ATOM 1151 CB LEU A 76 3.796 -11.049 10.361 1.00 0.00 C ATOM 1152 CG LEU A 76 2.621 -10.327 11.024 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.378 -11.201 11.003 1.00 0.00 C ATOM 1154 CD2 LEU A 76 2.975 -9.934 12.451 1.00 0.00 C ATOM 0 H LEU A 76 5.557 -12.139 8.959 1.00 0.00 H new ATOM 0 HA LEU A 76 2.947 -11.041 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.706 -12.117 10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.721 -10.713 10.831 1.00 0.00 H new ATOM 0 HG LEU A 76 2.411 -9.419 10.459 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.553 -10.671 11.479 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.114 -11.433 9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.575 -12.127 11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.128 -9.422 12.908 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.211 -10.829 13.027 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.839 -9.270 12.442 1.00 0.00 H new ATOM 1166 N LEU A 77 5.584 -9.091 8.726 1.00 0.00 N ATOM 1167 CA LEU A 77 6.087 -7.744 8.475 1.00 0.00 C ATOM 1168 C LEU A 77 6.199 -7.475 6.978 1.00 0.00 C ATOM 1169 O LEU A 77 6.042 -6.341 6.527 1.00 0.00 O ATOM 1170 CB LEU A 77 7.451 -7.554 9.142 1.00 0.00 C ATOM 1171 CG LEU A 77 8.535 -8.534 8.691 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.296 -7.977 7.500 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.486 -8.840 9.839 1.00 0.00 C ATOM 0 H LEU A 77 6.292 -9.754 9.041 1.00 0.00 H new ATOM 0 HA LEU A 77 5.379 -7.034 8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.796 -6.539 8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.326 -7.645 10.221 1.00 0.00 H new ATOM 0 HG LEU A 77 8.054 -9.463 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.063 -8.688 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.606 -7.809 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.766 -7.034 7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.251 -9.539 9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.960 -7.918 10.175 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.929 -9.283 10.665 1.00 0.00 H new ATOM 1185 N GLN A 78 6.471 -8.527 6.212 1.00 0.00 N ATOM 1186 CA GLN A 78 6.604 -8.403 4.764 1.00 0.00 C ATOM 1187 C GLN A 78 5.269 -8.040 4.122 1.00 0.00 C ATOM 1188 O GLN A 78 5.192 -7.125 3.302 1.00 0.00 O ATOM 1189 CB GLN A 78 7.131 -9.710 4.167 1.00 0.00 C ATOM 1190 CG GLN A 78 8.078 -9.505 2.996 1.00 0.00 C ATOM 1191 CD GLN A 78 9.507 -9.889 3.326 1.00 0.00 C ATOM 1192 OE1 GLN A 78 10.100 -10.747 2.671 1.00 0.00 O ATOM 1193 NE2 GLN A 78 10.070 -9.256 4.348 1.00 0.00 N ATOM 0 H GLN A 78 6.603 -9.473 6.569 1.00 0.00 H new ATOM 0 HA GLN A 78 7.314 -7.603 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.645 -10.274 4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.287 -10.316 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.734 -10.096 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.049 -8.460 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.543 -8.552 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.029 -9.474 4.617 1.00 0.00 H new ATOM 1202 N ARG A 79 4.219 -8.762 4.502 1.00 0.00 N ATOM 1203 CA ARG A 79 2.886 -8.515 3.963 1.00 0.00 C ATOM 1204 C ARG A 79 2.432 -7.091 4.264 1.00 0.00 C ATOM 1205 O ARG A 79 1.800 -6.441 3.431 1.00 0.00 O ATOM 1206 CB ARG A 79 1.886 -9.516 4.543 1.00 0.00 C ATOM 1207 CG ARG A 79 1.803 -9.482 6.060 1.00 0.00 C ATOM 1208 CD ARG A 79 0.660 -10.343 6.575 1.00 0.00 C ATOM 1209 NE ARG A 79 0.985 -11.766 6.533 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.327 -12.697 7.220 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.690 -12.359 8.004 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.687 -13.970 7.124 1.00 0.00 N ATOM 0 H ARG A 79 4.265 -9.522 5.181 1.00 0.00 H new ATOM 0 HA ARG A 79 2.929 -8.641 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.899 -9.312 4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.164 -10.521 4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.744 -9.832 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.665 -8.454 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.423 -10.055 7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.232 -10.157 5.977 1.00 0.00 H new ATOM 0 HE ARG A 79 1.762 -12.064 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.971 -11.382 8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.190 -13.077 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.468 -14.235 6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.183 -14.684 7.650 1.00 0.00 H new ATOM 1226 N HIS A 80 2.760 -6.610 5.459 1.00 0.00 N ATOM 1227 CA HIS A 80 2.385 -5.261 5.870 1.00 0.00 C ATOM 1228 C HIS A 80 3.024 -4.219 4.959 1.00 0.00 C ATOM 1229 O HIS A 80 2.399 -3.216 4.611 1.00 0.00 O ATOM 1230 CB HIS A 80 2.802 -5.013 7.319 1.00 0.00 C ATOM 1231 CG HIS A 80 2.081 -5.877 8.307 1.00 0.00 C ATOM 1232 ND1 HIS A 80 0.927 -6.577 8.194 1.00 0.00 N flip ATOM 1233 CD2 HIS A 80 2.538 -6.098 9.588 1.00 0.00 C flip ATOM 1234 CE1 HIS A 80 0.711 -7.201 9.398 1.00 0.00 C flip ATOM 1235 NE2 HIS A 80 1.698 -6.898 10.222 1.00 0.00 N flip ATOM 0 H HIS A 80 3.284 -7.134 6.160 1.00 0.00 H new ATOM 0 HA HIS A 80 1.302 -5.171 5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.874 -5.184 7.414 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.623 -3.966 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.442 -5.682 10.009 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.130 -7.837 9.633 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.795 -7.225 11.183 1.00 0.00 H new ATOM 1244 N ARG A 81 4.273 -4.462 4.574 1.00 0.00 N ATOM 1245 CA ARG A 81 4.996 -3.544 3.703 1.00 0.00 C ATOM 1246 C ARG A 81 4.428 -3.573 2.287 1.00 0.00 C ATOM 1247 O ARG A 81 4.459 -2.570 1.574 1.00 0.00 O ATOM 1248 CB ARG A 81 6.484 -3.900 3.676 1.00 0.00 C ATOM 1249 CG ARG A 81 7.312 -3.133 4.695 1.00 0.00 C ATOM 1250 CD ARG A 81 8.398 -4.005 5.304 1.00 0.00 C ATOM 1251 NE ARG A 81 9.711 -3.730 4.723 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.861 -4.076 5.295 1.00 0.00 C ATOM 1253 NH1 ARG A 81 10.867 -4.712 6.460 1.00 0.00 N ATOM 1254 NH2 ARG A 81 12.011 -3.787 4.700 1.00 0.00 N ATOM 0 H ARG A 81 4.805 -5.287 4.852 1.00 0.00 H new ATOM 0 HA ARG A 81 4.877 -2.536 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.597 -4.969 3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.878 -3.704 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.767 -2.266 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.661 -2.757 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.436 -3.838 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.147 -5.055 5.153 1.00 0.00 H new ATOM 0 HE ARG A 81 9.747 -3.244 3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.986 -4.938 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.752 -4.974 6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.013 -3.300 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.893 -4.052 5.139 1.00 0.00 H new ATOM 1268 N LEU A 82 3.908 -4.730 1.887 1.00 0.00 N ATOM 1269 CA LEU A 82 3.333 -4.890 0.557 1.00 0.00 C ATOM 1270 C LEU A 82 2.187 -3.907 0.337 1.00 0.00 C ATOM 1271 O LEU A 82 2.099 -3.266 -0.710 1.00 0.00 O ATOM 1272 CB LEU A 82 2.835 -6.325 0.365 1.00 0.00 C ATOM 1273 CG LEU A 82 3.853 -7.287 -0.249 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.320 -8.710 -0.231 1.00 0.00 C ATOM 1275 CD2 LEU A 82 4.197 -6.861 -1.669 1.00 0.00 C ATOM 0 H LEU A 82 3.873 -5.570 2.465 1.00 0.00 H new ATOM 0 HA LEU A 82 4.111 -4.681 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.524 -6.718 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.949 -6.304 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 82 4.763 -7.255 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.058 -9.380 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.124 -9.012 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.395 -8.760 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.923 -7.556 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.294 -6.864 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.622 -5.857 -1.655 1.00 0.00 H new ATOM 1287 N VAL A 83 1.312 -3.793 1.332 1.00 0.00 N ATOM 1288 CA VAL A 83 0.173 -2.887 1.245 1.00 0.00 C ATOM 1289 C VAL A 83 0.629 -1.432 1.244 1.00 0.00 C ATOM 1290 O VAL A 83 0.045 -0.589 0.562 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.807 -3.105 2.414 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.080 -2.302 2.199 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.120 -4.583 2.579 1.00 0.00 C ATOM 0 H VAL A 83 1.370 -4.316 2.206 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.337 -3.107 0.307 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.335 -2.754 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.760 -2.468 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.835 -1.242 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.558 -2.620 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.813 -4.718 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.572 -4.964 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.199 -5.129 2.783 1.00 0.00 H new ATOM 1303 N ASN A 84 1.674 -1.144 2.012 1.00 0.00 N ATOM 1304 CA ASN A 84 2.209 0.211 2.099 1.00 0.00 C ATOM 1305 C ASN A 84 2.996 0.566 0.841 1.00 0.00 C ATOM 1306 O ASN A 84 2.954 1.702 0.371 1.00 0.00 O ATOM 1307 CB ASN A 84 3.104 0.350 3.331 1.00 0.00 C ATOM 1308 CG ASN A 84 2.307 0.403 4.620 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.564 1.353 4.866 1.00 0.00 O ATOM 1310 ND2 ASN A 84 2.459 -0.620 5.453 1.00 0.00 N ATOM 0 H ASN A 84 2.168 -1.830 2.583 1.00 0.00 H new ATOM 0 HA ASN A 84 1.370 0.902 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.797 -0.490 3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.704 1.255 3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.949 -0.639 6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.085 -1.387 5.210 1.00 0.00 H new ATOM 1317 N GLU A 85 3.716 -0.413 0.304 1.00 0.00 N ATOM 1318 CA GLU A 85 4.514 -0.203 -0.899 1.00 0.00 C ATOM 1319 C GLU A 85 3.636 0.234 -2.067 1.00 0.00 C ATOM 1320 O GLU A 85 3.918 1.231 -2.730 1.00 0.00 O ATOM 1321 CB GLU A 85 5.270 -1.482 -1.264 1.00 0.00 C ATOM 1322 CG GLU A 85 6.511 -1.716 -0.418 1.00 0.00 C ATOM 1323 CD GLU A 85 7.712 -2.132 -1.245 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.817 -3.330 -1.579 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.548 -1.258 -1.558 1.00 0.00 O ATOM 0 H GLU A 85 3.764 -1.359 0.682 1.00 0.00 H new ATOM 0 HA GLU A 85 5.233 0.590 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.600 -2.334 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.559 -1.436 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.750 -0.804 0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.301 -2.487 0.323 1.00 0.00 H new ATOM 1332 N CYS A 86 2.569 -0.520 -2.313 1.00 0.00 N ATOM 1333 CA CYS A 86 1.649 -0.211 -3.401 1.00 0.00 C ATOM 1334 C CYS A 86 1.030 1.171 -3.211 1.00 0.00 C ATOM 1335 O CYS A 86 0.852 1.919 -4.172 1.00 0.00 O ATOM 1336 CB CYS A 86 0.547 -1.269 -3.482 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.253 -1.378 -5.100 1.00 0.00 S ATOM 0 H CYS A 86 2.321 -1.349 -1.773 1.00 0.00 H new ATOM 0 HA CYS A 86 2.213 -0.213 -4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.972 -2.241 -3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.209 -1.049 -2.729 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.269 -2.617 -5.494 1.00 0.00 H new ATOM 1343 N LEU A 87 0.705 1.502 -1.966 1.00 0.00 N ATOM 1344 CA LEU A 87 0.107 2.794 -1.649 1.00 0.00 C ATOM 1345 C LEU A 87 1.162 3.775 -1.146 1.00 0.00 C ATOM 1346 O LEU A 87 0.855 4.699 -0.395 1.00 0.00 O ATOM 1347 CB LEU A 87 -0.989 2.625 -0.594 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.309 2.051 -1.112 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.044 3.081 -1.955 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -2.063 0.780 -1.913 1.00 0.00 C ATOM 0 H LEU A 87 0.846 0.893 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.332 3.196 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.613 1.974 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.187 3.596 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.934 1.800 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.981 2.655 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.255 3.963 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.424 3.365 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.014 0.387 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.418 1.004 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.580 0.037 -1.278 1.00 0.00 H new ATOM 1362 N ALA A 88 2.407 3.565 -1.562 1.00 0.00 N ATOM 1363 CA ALA A 88 3.507 4.430 -1.150 1.00 0.00 C ATOM 1364 C ALA A 88 3.318 5.853 -1.664 1.00 0.00 C ATOM 1365 O ALA A 88 3.545 6.820 -0.939 1.00 0.00 O ATOM 1366 CB ALA A 88 4.832 3.864 -1.637 1.00 0.00 C ATOM 0 H ALA A 88 2.679 2.804 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 88 3.515 4.467 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.645 4.519 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.981 2.871 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.821 3.796 -2.725 1.00 0.00 H new ATOM 1372 N GLU A 89 2.906 5.975 -2.921 1.00 0.00 N ATOM 1373 CA GLU A 89 2.692 7.282 -3.533 1.00 0.00 C ATOM 1374 C GLU A 89 1.403 7.925 -3.026 1.00 0.00 C ATOM 1375 O GLU A 89 1.356 9.129 -2.775 1.00 0.00 O ATOM 1376 CB GLU A 89 2.645 7.153 -5.056 1.00 0.00 C ATOM 1377 CG GLU A 89 3.912 6.567 -5.657 1.00 0.00 C ATOM 1378 CD GLU A 89 3.865 6.504 -7.171 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.438 7.500 -7.793 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.252 5.459 -7.734 1.00 0.00 O ATOM 0 H GLU A 89 2.713 5.185 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 89 3.527 7.924 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.798 6.526 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.468 8.137 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.767 7.168 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.068 5.564 -5.260 1.00 0.00 H new ATOM 1387 N GLU A 90 0.357 7.117 -2.889 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.935 7.607 -2.422 1.00 0.00 C ATOM 1389 C GLU A 90 -0.929 7.869 -0.917 1.00 0.00 C ATOM 1390 O GLU A 90 -1.619 8.766 -0.434 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.036 6.603 -2.767 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.320 6.500 -4.258 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.439 5.480 -4.950 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.380 5.129 -4.387 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.807 5.030 -6.057 1.00 0.00 O ATOM 0 H GLU A 90 0.379 6.118 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.131 8.552 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.751 5.620 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.952 6.889 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.366 6.232 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.172 7.476 -4.721 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.158 7.074 -0.177 1.00 0.00 N ATOM 1403 CA LEU A 91 -0.076 7.211 1.278 1.00 0.00 C ATOM 1404 C LEU A 91 0.078 8.673 1.702 1.00 0.00 C ATOM 1405 O LEU A 91 -0.729 9.188 2.475 1.00 0.00 O ATOM 1406 CB LEU A 91 1.086 6.379 1.828 1.00 0.00 C ATOM 1407 CG LEU A 91 0.682 5.057 2.484 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.892 4.380 3.108 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.401 5.288 3.529 1.00 0.00 C ATOM 0 H LEU A 91 0.420 6.327 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.012 6.840 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.778 6.166 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.629 6.979 2.559 1.00 0.00 H new ATOM 0 HG LEU A 91 0.280 4.399 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.586 3.441 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.635 4.179 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.324 5.033 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.676 4.337 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.027 5.964 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.277 5.729 3.054 1.00 0.00 H new ATOM 1421 N PRO A 92 1.120 9.362 1.207 1.00 0.00 N ATOM 1422 CA PRO A 92 1.370 10.765 1.545 1.00 0.00 C ATOM 1423 C PRO A 92 0.102 11.613 1.494 1.00 0.00 C ATOM 1424 O PRO A 92 -0.080 12.526 2.300 1.00 0.00 O ATOM 1425 CB PRO A 92 2.354 11.210 0.465 1.00 0.00 C ATOM 1426 CG PRO A 92 3.102 9.972 0.106 1.00 0.00 C ATOM 1427 CD PRO A 92 2.138 8.827 0.283 1.00 0.00 C ATOM 0 HA PRO A 92 1.744 10.881 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.834 11.624 -0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.025 11.985 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.463 10.020 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.976 9.847 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.697 8.525 -0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.632 7.949 0.698 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.774 11.301 0.544 1.00 0.00 N ATOM 1436 CA HIS A 93 -2.028 12.031 0.393 1.00 0.00 C ATOM 1437 C HIS A 93 -3.022 11.633 1.480 1.00 0.00 C ATOM 1438 O HIS A 93 -3.850 12.439 1.904 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.632 11.767 -0.988 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.752 12.202 -2.119 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.865 13.433 -2.730 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.739 11.562 -2.750 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.961 13.531 -3.688 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.264 12.410 -3.720 1.00 0.00 N ATOM 0 H HIS A 93 -0.639 10.549 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.815 13.095 0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.838 10.701 -1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.588 12.285 -1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.373 10.570 -2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.816 14.383 -4.335 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.503 12.207 -4.361 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.932 10.383 1.925 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.820 9.873 2.963 1.00 0.00 C ATOM 1455 C ILE A 94 -3.437 10.417 4.336 1.00 0.00 C ATOM 1456 O ILE A 94 -2.373 10.097 4.864 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.794 8.332 3.017 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.977 7.746 1.616 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.869 7.812 3.962 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.336 8.030 1.012 1.00 0.00 C ATOM 0 H ILE A 94 -2.252 9.704 1.582 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.825 10.209 2.707 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.823 8.015 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.206 8.149 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.827 6.667 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.835 6.723 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.693 8.204 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.849 8.137 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.393 7.584 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.113 7.603 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.482 9.107 0.935 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.313 11.235 4.911 1.00 0.00 N ATOM 1473 CA HIS A 95 -4.062 11.814 6.226 1.00 0.00 C ATOM 1474 C HIS A 95 -3.928 10.716 7.275 1.00 0.00 C ATOM 1475 O HIS A 95 -3.159 10.840 8.228 1.00 0.00 O ATOM 1476 CB HIS A 95 -5.193 12.770 6.611 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.801 13.773 7.651 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -5.089 13.621 8.991 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.138 14.949 7.542 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -4.621 14.659 9.660 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -4.039 15.479 8.805 1.00 0.00 N ATOM 0 H HIS A 95 -5.200 11.511 4.489 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.127 12.373 6.183 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.532 13.297 5.719 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.039 12.189 6.979 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.758 15.388 6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.701 14.811 10.726 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.589 16.363 9.044 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.681 9.637 7.084 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.651 8.506 8.002 1.00 0.00 C ATOM 1492 C ALA A 96 -4.957 7.207 7.268 1.00 0.00 C ATOM 1493 O ALA A 96 -6.052 7.027 6.733 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.638 8.719 9.139 1.00 0.00 C ATOM 0 H ALA A 96 -5.321 9.523 6.298 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.648 8.433 8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.603 7.865 9.816 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.375 9.625 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.645 8.819 8.733 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.983 6.306 7.238 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.146 5.024 6.563 1.00 0.00 C ATOM 1502 C PHE A 97 -4.049 3.867 7.551 1.00 0.00 C ATOM 1503 O PHE A 97 -3.032 3.694 8.222 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.089 4.866 5.468 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.476 3.891 4.393 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.223 2.536 4.542 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.094 4.329 3.232 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.577 1.638 3.554 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.449 3.435 2.240 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.191 2.087 2.402 1.00 0.00 C ATOM 0 H PHE A 97 -3.071 6.439 7.674 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.137 5.004 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.901 5.839 5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.153 4.540 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.743 2.178 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.300 5.381 3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.374 0.585 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.928 3.789 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.469 1.386 1.629 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.113 3.075 7.631 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.150 1.930 8.534 1.00 0.00 C ATOM 1522 C GLU A 98 -5.574 0.669 7.789 1.00 0.00 C ATOM 1523 O GLU A 98 -6.667 0.607 7.226 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.109 2.199 9.695 1.00 0.00 C ATOM 1525 CG GLU A 98 -6.181 1.062 10.700 1.00 0.00 C ATOM 1526 CD GLU A 98 -7.425 1.126 11.565 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -7.467 1.973 12.482 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -8.356 0.329 11.325 1.00 0.00 O ATOM 0 H GLU A 98 -5.962 3.205 7.081 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.147 1.777 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.798 3.108 10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.106 2.384 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.161 0.111 10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.298 1.089 11.338 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.702 -0.334 7.788 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.986 -1.592 7.110 1.00 0.00 C ATOM 1537 C GLN A 99 -4.789 -2.777 8.050 1.00 0.00 C ATOM 1538 O GLN A 99 -3.863 -2.792 8.860 1.00 0.00 O ATOM 1539 CB GLN A 99 -4.087 -1.748 5.881 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.604 -1.678 6.201 1.00 0.00 C ATOM 1541 CD GLN A 99 -1.946 -3.044 6.220 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -2.512 -4.011 6.731 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -0.745 -3.130 5.662 1.00 0.00 N ATOM 0 H GLN A 99 -3.793 -0.299 8.249 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.028 -1.574 6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.302 -2.703 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.332 -0.968 5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.106 -1.049 5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.468 -1.200 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.314 -2.303 5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.253 -4.024 5.645 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.665 -3.770 7.934 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.588 -4.960 8.772 1.00 0.00 C ATOM 1554 C LYS A 100 -5.590 -6.225 7.918 1.00 0.00 C ATOM 1555 O LYS A 100 -6.535 -6.480 7.172 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.759 -4.993 9.757 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.390 -5.555 11.119 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.622 -6.007 11.887 1.00 0.00 C ATOM 1559 CE LYS A 100 -8.075 -4.953 12.884 1.00 0.00 C ATOM 1560 NZ LYS A 100 -7.456 -5.152 14.224 1.00 0.00 N ATOM 0 H LYS A 100 -6.437 -3.774 7.267 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.654 -4.921 9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.146 -3.982 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.564 -5.592 9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.709 -6.397 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.859 -4.797 11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.431 -6.219 11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.404 -6.937 12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.816 -3.963 12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.161 -4.985 12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.791 -4.413 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.723 -6.086 14.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.421 -5.096 14.140 1.00 0.00 H new ATOM 1574 N THR A 101 -4.526 -7.013 8.034 1.00 0.00 N ATOM 1575 CA THR A 101 -4.405 -8.249 7.272 1.00 0.00 C ATOM 1576 C THR A 101 -4.551 -9.467 8.180 1.00 0.00 C ATOM 1577 O THR A 101 -3.969 -9.518 9.263 1.00 0.00 O ATOM 1578 CB THR A 101 -3.058 -8.298 6.549 1.00 0.00 C ATOM 1579 OG1 THR A 101 -1.991 -8.319 7.480 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.834 -7.123 5.621 1.00 0.00 C ATOM 0 H THR A 101 -3.736 -6.817 8.648 1.00 0.00 H new ATOM 0 HA THR A 101 -5.207 -8.270 6.534 1.00 0.00 H new ATOM 0 HB THR A 101 -3.082 -9.211 5.954 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.138 -8.352 6.999 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.861 -7.219 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.614 -7.106 4.860 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.866 -6.196 6.194 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.331 -10.444 7.731 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.553 -11.661 8.502 1.00 0.00 C ATOM 1590 C LEU A 102 -5.802 -12.851 7.579 1.00 0.00 C ATOM 1591 O LEU A 102 -6.091 -12.680 6.396 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.739 -11.479 9.453 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.365 -11.158 10.902 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.611 -11.079 11.770 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.398 -12.198 11.445 1.00 0.00 C ATOM 0 H LEU A 102 -5.820 -10.417 6.836 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.655 -11.860 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.371 -10.678 9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.337 -12.390 9.442 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.871 -10.186 10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.325 -10.850 12.797 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.268 -10.295 11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.134 -12.035 11.744 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.143 -11.954 12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.865 -13.182 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.492 -12.204 10.839 1.00 0.00 H new ATOM 1607 N THR A 103 -5.685 -14.054 8.130 1.00 0.00 N ATOM 1608 CA THR A 103 -5.897 -15.272 7.356 1.00 0.00 C ATOM 1609 C THR A 103 -7.388 -15.571 7.209 1.00 0.00 C ATOM 1610 O THR A 103 -8.193 -15.178 8.052 1.00 0.00 O ATOM 1611 CB THR A 103 -5.192 -16.454 8.023 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.797 -16.764 9.266 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.721 -16.207 8.278 1.00 0.00 C ATOM 0 H THR A 103 -5.445 -14.212 9.109 1.00 0.00 H new ATOM 0 HA THR A 103 -5.475 -15.120 6.363 1.00 0.00 H new ATOM 0 HB THR A 103 -5.289 -17.281 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.333 -17.524 9.675 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.282 -17.084 8.753 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.215 -16.015 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.605 -15.344 8.933 1.00 0.00 H new ATOM 1621 N PRO A 104 -7.773 -16.273 6.130 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.175 -16.624 5.876 1.00 0.00 C ATOM 1623 C PRO A 104 -9.826 -17.309 7.073 1.00 0.00 C ATOM 1624 O PRO A 104 -10.874 -16.877 7.553 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.092 -17.586 4.689 1.00 0.00 C ATOM 1626 CG PRO A 104 -7.824 -17.226 3.996 1.00 0.00 C ATOM 1627 CD PRO A 104 -6.876 -16.780 5.075 1.00 0.00 C ATOM 0 HA PRO A 104 -9.787 -15.743 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.080 -18.624 5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.951 -17.473 4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.421 -18.079 3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.989 -16.432 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.259 -17.604 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.197 -16.005 4.718 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.198 -18.379 7.549 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.715 -19.124 8.690 1.00 0.00 C ATOM 1637 C GLU A 105 -9.824 -18.229 9.922 1.00 0.00 C ATOM 1638 O GLU A 105 -10.752 -18.363 10.719 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.815 -20.326 8.990 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.425 -21.657 8.586 1.00 0.00 C ATOM 1641 CD GLU A 105 -8.413 -22.595 7.957 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -7.247 -22.600 8.408 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -8.785 -23.324 7.014 1.00 0.00 O ATOM 0 H GLU A 105 -8.330 -18.749 7.162 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.713 -19.482 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.866 -20.198 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.593 -20.346 10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.861 -22.134 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.238 -21.481 7.882 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.868 -17.318 10.071 1.00 0.00 N ATOM 1651 CA GLN A 106 -8.856 -16.401 11.204 1.00 0.00 C ATOM 1652 C GLN A 106 -10.110 -15.532 11.214 1.00 0.00 C ATOM 1653 O GLN A 106 -10.731 -15.334 12.258 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.609 -15.515 11.158 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.408 -16.119 11.867 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.247 -15.604 13.284 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -5.282 -14.908 13.598 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -7.197 -15.944 14.148 1.00 0.00 N ATOM 0 H GLN A 106 -8.092 -17.195 9.421 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.838 -16.994 12.118 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.348 -15.323 10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.841 -14.551 11.611 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.511 -17.204 11.888 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.505 -15.896 11.299 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.980 -16.523 13.844 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.144 -15.626 15.116 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.476 -15.016 10.046 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.656 -14.170 9.918 1.00 0.00 C ATOM 1669 C TRP A 107 -12.934 -14.999 9.984 1.00 0.00 C ATOM 1670 O TRP A 107 -13.950 -14.552 10.516 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.609 -13.387 8.608 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.058 -11.967 8.759 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.317 -11.482 8.559 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.253 -10.849 9.146 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.343 -10.128 8.793 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.088 -9.716 9.154 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -9.906 -10.697 9.484 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.618 -8.448 9.490 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.441 -9.439 9.817 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.295 -8.329 9.817 1.00 0.00 C ATOM 0 H TRP A 107 -9.971 -15.169 9.173 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.659 -13.468 10.752 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.591 -13.401 8.219 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.239 -13.885 7.871 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.169 -12.075 8.260 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.164 -9.528 8.711 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.240 -11.547 9.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.274 -7.590 9.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.402 -9.310 10.082 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -9.901 -7.359 10.081 1.00 0.00 H new ATOM 1691 N THR A 108 -12.877 -16.210 9.440 1.00 0.00 N ATOM 1692 CA THR A 108 -14.030 -17.104 9.436 1.00 0.00 C ATOM 1693 C THR A 108 -14.504 -17.389 10.856 1.00 0.00 C ATOM 1694 O THR A 108 -15.693 -17.603 11.094 1.00 0.00 O ATOM 1695 CB THR A 108 -13.682 -18.415 8.729 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.005 -18.163 7.510 1.00 0.00 O ATOM 1697 CG2 THR A 108 -14.893 -19.265 8.415 1.00 0.00 C ATOM 0 H THR A 108 -12.044 -16.596 8.996 1.00 0.00 H new ATOM 0 HA THR A 108 -14.838 -16.611 8.896 1.00 0.00 H new ATOM 0 HB THR A 108 -13.047 -18.960 9.427 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.051 -18.024 7.688 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.576 -20.180 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.409 -19.519 9.341 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.568 -18.710 7.763 1.00 0.00 H new