USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=9 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 74 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0395) USER MOD Set 1.2: A 78 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.5) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 30:sc= 0.00371 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 61 SER OG : rot -34:sc= 0.0814 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 80 HIS : no HD1:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 84 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.6!) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.268 USER MOD Single : A 93 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0.036) USER MOD Single : A 95 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=-0.27) USER MOD Single : A 99 GLN : amide:sc= -2.8 K(o=-2.8,f=-3.7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -110:sc= -0.906 USER MOD Single : A 103 THR OG1 : rot 150:sc= -0.977 USER MOD Single : A 106 GLN : amide:sc= -0.966 K(o=-0.97,f=-4.2!) USER MOD Single : A 108 THR OG1 : rot 104:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.905 7.853 -3.206 1.00 0.00 N ATOM 428 CA SER A 31 -11.199 7.202 -3.042 1.00 0.00 C ATOM 429 C SER A 31 -11.058 5.898 -2.264 1.00 0.00 C ATOM 430 O SER A 31 -10.026 5.230 -2.336 1.00 0.00 O ATOM 431 CB SER A 31 -11.833 6.929 -4.407 1.00 0.00 C ATOM 432 OG SER A 31 -12.206 8.136 -5.047 1.00 0.00 O ATOM 0 HA SER A 31 -11.846 7.873 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.129 6.383 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.710 6.293 -4.284 1.00 0.00 H new ATOM 0 HG SER A 31 -11.599 8.854 -4.771 1.00 0.00 H new ATOM 438 N ALA A 32 -12.100 5.542 -1.520 1.00 0.00 N ATOM 439 CA ALA A 32 -12.090 4.318 -0.728 1.00 0.00 C ATOM 440 C ALA A 32 -12.097 3.084 -1.624 1.00 0.00 C ATOM 441 O ALA A 32 -11.481 2.067 -1.303 1.00 0.00 O ATOM 442 CB ALA A 32 -13.282 4.293 0.217 1.00 0.00 C ATOM 0 H ALA A 32 -12.961 6.084 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.172 4.302 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.263 3.374 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.233 5.151 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.205 4.336 -0.361 1.00 0.00 H new ATOM 448 N ASP A 33 -12.799 3.178 -2.748 1.00 0.00 N ATOM 449 CA ASP A 33 -12.887 2.069 -3.690 1.00 0.00 C ATOM 450 C ASP A 33 -11.590 1.920 -4.479 1.00 0.00 C ATOM 451 O ASP A 33 -11.212 0.816 -4.869 1.00 0.00 O ATOM 452 CB ASP A 33 -14.060 2.278 -4.650 1.00 0.00 C ATOM 453 CG ASP A 33 -14.761 0.980 -4.998 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.700 0.599 -4.268 1.00 0.00 O ATOM 455 OD2 ASP A 33 -14.372 0.345 -6.002 1.00 0.00 O ATOM 0 H ASP A 33 -13.316 4.011 -3.029 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.052 1.155 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.776 2.965 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.698 2.749 -5.564 1.00 0.00 H new ATOM 460 N TYR A 34 -10.913 3.040 -4.712 1.00 0.00 N ATOM 461 CA TYR A 34 -9.658 3.034 -5.455 1.00 0.00 C ATOM 462 C TYR A 34 -8.615 2.169 -4.754 1.00 0.00 C ATOM 463 O TYR A 34 -7.995 1.303 -5.373 1.00 0.00 O ATOM 464 CB TYR A 34 -9.130 4.460 -5.617 1.00 0.00 C ATOM 465 CG TYR A 34 -7.856 4.547 -6.427 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.786 4.010 -7.706 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.724 5.166 -5.912 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.624 4.087 -8.450 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.558 5.247 -6.649 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.513 4.707 -7.916 1.00 0.00 C ATOM 471 OH TYR A 34 -4.354 4.786 -8.654 1.00 0.00 O ATOM 0 H TYR A 34 -11.212 3.963 -4.397 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.850 2.612 -6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.897 5.070 -6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.953 4.887 -4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.654 3.524 -8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.756 5.591 -4.920 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.586 3.665 -9.443 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.686 5.731 -6.234 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.667 5.254 -8.135 1.00 0.00 H new ATOM 481 N LEU A 35 -8.425 2.410 -3.461 1.00 0.00 N ATOM 482 CA LEU A 35 -7.455 1.653 -2.677 1.00 0.00 C ATOM 483 C LEU A 35 -7.938 0.225 -2.445 1.00 0.00 C ATOM 484 O LEU A 35 -7.135 -0.702 -2.338 1.00 0.00 O ATOM 485 CB LEU A 35 -7.204 2.344 -1.335 1.00 0.00 C ATOM 486 CG LEU A 35 -6.932 3.846 -1.420 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.966 4.475 -0.035 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.593 4.107 -2.093 1.00 0.00 C ATOM 0 H LEU A 35 -8.929 3.123 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.522 1.614 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.070 2.183 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.354 1.863 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.716 4.304 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.770 5.544 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.948 4.319 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.204 4.013 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.415 5.181 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.798 3.635 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.605 3.692 -3.101 1.00 0.00 H new ATOM 500 N ARG A 36 -9.254 0.055 -2.368 1.00 0.00 N ATOM 501 CA ARG A 36 -9.842 -1.261 -2.148 1.00 0.00 C ATOM 502 C ARG A 36 -9.658 -2.152 -3.371 1.00 0.00 C ATOM 503 O ARG A 36 -9.158 -3.272 -3.267 1.00 0.00 O ATOM 504 CB ARG A 36 -11.330 -1.128 -1.819 1.00 0.00 C ATOM 505 CG ARG A 36 -11.854 -2.230 -0.913 1.00 0.00 C ATOM 506 CD ARG A 36 -13.374 -2.275 -0.910 1.00 0.00 C ATOM 507 NE ARG A 36 -13.893 -3.312 -1.799 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.185 -3.479 -2.069 1.00 0.00 C ATOM 509 NH1 ARG A 36 -16.094 -2.681 -1.521 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.571 -4.447 -2.889 1.00 0.00 N ATOM 0 H ARG A 36 -9.933 0.811 -2.455 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.329 -1.724 -1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.503 -0.164 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.901 -1.131 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.461 -3.192 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.492 -2.070 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.729 -2.456 0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.766 -1.305 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.225 -3.945 -2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.803 -1.935 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.083 -2.814 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.877 -5.063 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.561 -4.575 -3.096 1.00 0.00 H new ATOM 524 N GLU A 37 -10.066 -1.648 -4.532 1.00 0.00 N ATOM 525 CA GLU A 37 -9.946 -2.399 -5.776 1.00 0.00 C ATOM 526 C GLU A 37 -8.482 -2.599 -6.154 1.00 0.00 C ATOM 527 O GLU A 37 -8.120 -3.603 -6.767 1.00 0.00 O ATOM 528 CB GLU A 37 -10.682 -1.676 -6.905 1.00 0.00 C ATOM 529 CG GLU A 37 -12.181 -1.931 -6.915 1.00 0.00 C ATOM 530 CD GLU A 37 -12.595 -2.927 -7.981 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.852 -2.499 -9.126 1.00 0.00 O ATOM 532 OE2 GLU A 37 -12.662 -4.135 -7.670 1.00 0.00 O ATOM 0 H GLU A 37 -10.482 -0.723 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.399 -3.379 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.505 -0.604 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.262 -1.990 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.490 -2.301 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.705 -0.989 -7.079 1.00 0.00 H new ATOM 539 N LYS A 38 -7.643 -1.636 -5.785 1.00 0.00 N ATOM 540 CA LYS A 38 -6.219 -1.706 -6.087 1.00 0.00 C ATOM 541 C LYS A 38 -5.547 -2.820 -5.290 1.00 0.00 C ATOM 542 O LYS A 38 -4.977 -3.749 -5.862 1.00 0.00 O ATOM 543 CB LYS A 38 -5.545 -0.367 -5.782 1.00 0.00 C ATOM 544 CG LYS A 38 -4.116 -0.274 -6.292 1.00 0.00 C ATOM 545 CD LYS A 38 -3.581 1.146 -6.196 1.00 0.00 C ATOM 546 CE LYS A 38 -2.252 1.289 -6.921 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.432 1.407 -8.394 1.00 0.00 N ATOM 0 H LYS A 38 -7.925 -0.798 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.109 -1.927 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.133 0.436 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.548 -0.205 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.478 -0.944 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.076 -0.610 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.306 1.839 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.457 1.419 -5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.728 2.169 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.624 0.426 -6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.503 1.503 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.909 0.556 -8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.010 2.245 -8.607 1.00 0.00 H new ATOM 561 N LEU A 39 -5.617 -2.718 -3.967 1.00 0.00 N ATOM 562 CA LEU A 39 -5.014 -3.717 -3.091 1.00 0.00 C ATOM 563 C LEU A 39 -5.640 -5.089 -3.318 1.00 0.00 C ATOM 564 O LEU A 39 -4.937 -6.098 -3.400 1.00 0.00 O ATOM 565 CB LEU A 39 -5.176 -3.306 -1.626 1.00 0.00 C ATOM 566 CG LEU A 39 -4.374 -2.073 -1.208 1.00 0.00 C ATOM 567 CD1 LEU A 39 -4.843 -1.567 0.148 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.887 -2.392 -1.173 1.00 0.00 C ATOM 0 H LEU A 39 -6.085 -1.955 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.952 -3.778 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.232 -3.117 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.881 -4.144 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.540 -1.287 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.261 -0.689 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.898 -1.300 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.706 -2.348 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.331 -1.503 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.703 -3.193 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.559 -2.708 -2.163 1.00 0.00 H new ATOM 580 N ARG A 40 -6.965 -5.121 -3.418 1.00 0.00 N ATOM 581 CA ARG A 40 -7.687 -6.370 -3.636 1.00 0.00 C ATOM 582 C ARG A 40 -7.225 -7.056 -4.909 1.00 0.00 C ATOM 583 O ARG A 40 -6.980 -8.262 -4.922 1.00 0.00 O ATOM 584 CB ARG A 40 -9.193 -6.112 -3.698 1.00 0.00 C ATOM 585 CG ARG A 40 -10.030 -7.381 -3.675 1.00 0.00 C ATOM 586 CD ARG A 40 -11.290 -7.234 -4.513 1.00 0.00 C ATOM 587 NE ARG A 40 -12.298 -8.233 -4.165 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.254 -9.501 -4.566 1.00 0.00 C ATOM 589 NH1 ARG A 40 -11.255 -9.929 -5.327 1.00 0.00 N ATOM 590 NH2 ARG A 40 -13.212 -10.343 -4.205 1.00 0.00 N ATOM 0 H ARG A 40 -7.561 -4.296 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.473 -7.030 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.480 -5.482 -2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.420 -5.553 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.438 -8.215 -4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.302 -7.620 -2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.705 -6.236 -4.372 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.036 -7.327 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.081 -7.941 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.516 -9.285 -5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.226 -10.902 -5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.982 -10.019 -3.620 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.179 -11.315 -4.512 1.00 0.00 H new ATOM 604 N GLN A 41 -7.109 -6.287 -5.977 1.00 0.00 N ATOM 605 CA GLN A 41 -6.678 -6.835 -7.250 1.00 0.00 C ATOM 606 C GLN A 41 -5.177 -7.107 -7.249 1.00 0.00 C ATOM 607 O GLN A 41 -4.721 -8.123 -7.771 1.00 0.00 O ATOM 608 CB GLN A 41 -7.044 -5.888 -8.394 1.00 0.00 C ATOM 609 CG GLN A 41 -8.516 -5.932 -8.773 1.00 0.00 C ATOM 610 CD GLN A 41 -8.762 -6.678 -10.070 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.510 -6.157 -11.157 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.259 -7.905 -9.962 1.00 0.00 N ATOM 0 H GLN A 41 -7.306 -5.286 -5.988 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.196 -7.782 -7.400 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.781 -4.869 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.444 -6.140 -9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.080 -6.409 -7.971 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.894 -4.914 -8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.453 -8.297 -9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.447 -8.455 -10.800 1.00 0.00 H new ATOM 621 N ASP A 42 -4.415 -6.192 -6.660 1.00 0.00 N ATOM 622 CA ASP A 42 -2.965 -6.333 -6.593 1.00 0.00 C ATOM 623 C ASP A 42 -2.573 -7.524 -5.724 1.00 0.00 C ATOM 624 O ASP A 42 -1.920 -8.458 -6.189 1.00 0.00 O ATOM 625 CB ASP A 42 -2.331 -5.055 -6.041 1.00 0.00 C ATOM 626 CG ASP A 42 -0.864 -4.932 -6.408 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.567 -4.727 -7.605 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.014 -5.038 -5.500 1.00 0.00 O ATOM 0 H ASP A 42 -4.777 -5.345 -6.222 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.596 -6.506 -7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.872 -4.190 -6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.434 -5.041 -4.956 1.00 0.00 H new ATOM 633 N LEU A 43 -2.978 -7.484 -4.458 1.00 0.00 N ATOM 634 CA LEU A 43 -2.670 -8.560 -3.523 1.00 0.00 C ATOM 635 C LEU A 43 -3.494 -9.808 -3.830 1.00 0.00 C ATOM 636 O LEU A 43 -3.113 -10.919 -3.459 1.00 0.00 O ATOM 637 CB LEU A 43 -2.930 -8.104 -2.085 1.00 0.00 C ATOM 638 CG LEU A 43 -1.824 -7.248 -1.467 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.414 -6.216 -0.519 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.816 -8.127 -0.741 1.00 0.00 C ATOM 0 H LEU A 43 -3.520 -6.719 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.615 -8.810 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.862 -7.538 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.077 -8.986 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.307 -6.720 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.612 -5.616 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.098 -5.568 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.956 -6.723 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.035 -7.503 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.320 -8.681 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.370 -8.828 -1.447 1.00 0.00 H new ATOM 652 N GLU A 44 -4.623 -9.621 -4.505 1.00 0.00 N ATOM 653 CA GLU A 44 -5.498 -10.734 -4.858 1.00 0.00 C ATOM 654 C GLU A 44 -6.049 -11.407 -3.604 1.00 0.00 C ATOM 655 O GLU A 44 -5.645 -12.516 -3.253 1.00 0.00 O ATOM 656 CB GLU A 44 -4.743 -11.755 -5.713 1.00 0.00 C ATOM 657 CG GLU A 44 -4.903 -11.531 -7.208 1.00 0.00 C ATOM 658 CD GLU A 44 -5.001 -12.830 -7.985 1.00 0.00 C ATOM 659 OE1 GLU A 44 -5.649 -13.773 -7.484 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.430 -12.903 -9.092 1.00 0.00 O ATOM 0 H GLU A 44 -4.954 -8.709 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.334 -10.340 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.684 -11.717 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.095 -12.756 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.798 -10.935 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.056 -10.954 -7.578 1.00 0.00 H new ATOM 667 N ALA A 45 -6.972 -10.727 -2.932 1.00 0.00 N ATOM 668 CA ALA A 45 -7.579 -11.257 -1.718 1.00 0.00 C ATOM 669 C ALA A 45 -8.980 -11.793 -1.990 1.00 0.00 C ATOM 670 O ALA A 45 -9.538 -11.579 -3.067 1.00 0.00 O ATOM 671 CB ALA A 45 -7.622 -10.184 -0.639 1.00 0.00 C ATOM 0 H ALA A 45 -7.316 -9.807 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.965 -12.087 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.078 -10.593 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.608 -9.853 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.211 -9.337 -0.991 1.00 0.00 H new ATOM 677 N GLU A 46 -9.543 -12.489 -1.009 1.00 0.00 N ATOM 678 CA GLU A 46 -10.881 -13.055 -1.144 1.00 0.00 C ATOM 679 C GLU A 46 -11.948 -11.983 -0.947 1.00 0.00 C ATOM 680 O GLU A 46 -12.752 -11.723 -1.842 1.00 0.00 O ATOM 681 CB GLU A 46 -11.083 -14.184 -0.131 1.00 0.00 C ATOM 682 CG GLU A 46 -12.406 -14.916 -0.291 1.00 0.00 C ATOM 683 CD GLU A 46 -12.308 -16.384 0.073 1.00 0.00 C ATOM 684 OE1 GLU A 46 -12.255 -16.693 1.283 1.00 0.00 O ATOM 685 OE2 GLU A 46 -12.283 -17.225 -0.850 1.00 0.00 O ATOM 0 H GLU A 46 -9.095 -12.675 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.979 -13.458 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.267 -14.900 -0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.025 -13.772 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.159 -14.439 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.746 -14.823 -1.322 1.00 0.00 H new ATOM 692 N HIS A 47 -11.948 -11.365 0.229 1.00 0.00 N ATOM 693 CA HIS A 47 -12.916 -10.319 0.542 1.00 0.00 C ATOM 694 C HIS A 47 -12.233 -9.130 1.210 1.00 0.00 C ATOM 695 O HIS A 47 -11.479 -9.292 2.169 1.00 0.00 O ATOM 696 CB HIS A 47 -14.015 -10.870 1.454 1.00 0.00 C ATOM 697 CG HIS A 47 -15.222 -11.353 0.711 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.365 -10.597 0.559 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.461 -12.524 0.074 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.255 -11.281 -0.137 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.731 -12.453 -0.444 1.00 0.00 N ATOM 0 H HIS A 47 -11.290 -11.570 0.981 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.364 -9.980 -0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.609 -11.692 2.044 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.317 -10.093 2.156 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.780 -13.358 -0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -18.243 -10.940 -0.409 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.194 -13.187 -0.979 1.00 0.00 H new ATOM 710 N VAL A 48 -12.503 -7.934 0.695 1.00 0.00 N ATOM 711 CA VAL A 48 -11.915 -6.718 1.241 1.00 0.00 C ATOM 712 C VAL A 48 -12.991 -5.698 1.596 1.00 0.00 C ATOM 713 O VAL A 48 -14.034 -5.629 0.946 1.00 0.00 O ATOM 714 CB VAL A 48 -10.925 -6.079 0.249 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.726 -6.988 0.029 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.616 -5.766 -1.068 1.00 0.00 C ATOM 0 H VAL A 48 -13.125 -7.782 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.378 -7.005 2.145 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.566 -5.142 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.038 -6.519 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.217 -7.154 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.063 -7.943 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.901 -5.315 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.006 -6.687 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.437 -5.071 -0.892 1.00 0.00 H new ATOM 726 N GLU A 49 -12.730 -4.906 2.631 1.00 0.00 N ATOM 727 CA GLU A 49 -13.676 -3.888 3.073 1.00 0.00 C ATOM 728 C GLU A 49 -12.956 -2.584 3.400 1.00 0.00 C ATOM 729 O GLU A 49 -12.088 -2.545 4.273 1.00 0.00 O ATOM 730 CB GLU A 49 -14.450 -4.379 4.297 1.00 0.00 C ATOM 731 CG GLU A 49 -15.030 -5.774 4.131 1.00 0.00 C ATOM 732 CD GLU A 49 -15.379 -6.423 5.457 1.00 0.00 C ATOM 733 OE1 GLU A 49 -14.647 -6.191 6.441 1.00 0.00 O ATOM 734 OE2 GLU A 49 -16.385 -7.161 5.510 1.00 0.00 O ATOM 0 H GLU A 49 -11.871 -4.950 3.179 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.378 -3.701 2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.788 -4.371 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.260 -3.681 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.925 -5.720 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.313 -6.401 3.602 1.00 0.00 H new ATOM 741 N VAL A 50 -13.320 -1.520 2.694 1.00 0.00 N ATOM 742 CA VAL A 50 -12.707 -0.214 2.909 1.00 0.00 C ATOM 743 C VAL A 50 -13.674 0.740 3.601 1.00 0.00 C ATOM 744 O VAL A 50 -14.892 0.574 3.519 1.00 0.00 O ATOM 745 CB VAL A 50 -12.238 0.413 1.580 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.420 0.656 0.653 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.478 1.706 1.838 1.00 0.00 C ATOM 0 H VAL A 50 -14.036 -1.536 1.968 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.840 -0.372 3.550 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.562 -0.288 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.067 1.099 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.916 -0.291 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.125 1.335 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.155 2.134 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.128 2.414 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.606 1.498 2.458 1.00 0.00 H new ATOM 757 N GLU A 51 -13.124 1.740 4.283 1.00 0.00 N ATOM 758 CA GLU A 51 -13.938 2.723 4.989 1.00 0.00 C ATOM 759 C GLU A 51 -13.419 4.135 4.743 1.00 0.00 C ATOM 760 O GLU A 51 -12.285 4.322 4.302 1.00 0.00 O ATOM 761 CB GLU A 51 -13.949 2.424 6.489 1.00 0.00 C ATOM 762 CG GLU A 51 -15.156 2.996 7.214 1.00 0.00 C ATOM 763 CD GLU A 51 -16.469 2.567 6.590 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.889 3.199 5.598 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.077 1.598 7.091 1.00 0.00 O ATOM 0 H GLU A 51 -12.118 1.891 4.362 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.956 2.658 4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.925 1.344 6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.041 2.827 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.133 2.679 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.095 4.084 7.211 1.00 0.00 H new ATOM 772 N ASP A 52 -14.257 5.123 5.027 1.00 0.00 N ATOM 773 CA ASP A 52 -13.887 6.519 4.835 1.00 0.00 C ATOM 774 C ASP A 52 -14.605 7.415 5.840 1.00 0.00 C ATOM 775 O ASP A 52 -15.798 7.249 6.093 1.00 0.00 O ATOM 776 CB ASP A 52 -14.220 6.955 3.405 1.00 0.00 C ATOM 777 CG ASP A 52 -13.934 8.425 3.161 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.993 8.959 3.785 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.652 9.042 2.345 1.00 0.00 O ATOM 0 H ASP A 52 -15.199 4.983 5.392 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.814 6.617 4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.642 6.355 2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.273 6.755 3.204 1.00 0.00 H new ATOM 904 N SER A 61 -9.804 10.009 7.268 1.00 0.00 N ATOM 905 CA SER A 61 -9.041 8.775 7.402 1.00 0.00 C ATOM 906 C SER A 61 -9.617 7.679 6.511 1.00 0.00 C ATOM 907 O SER A 61 -10.752 7.777 6.044 1.00 0.00 O ATOM 908 CB SER A 61 -9.033 8.311 8.859 1.00 0.00 C ATOM 909 OG SER A 61 -10.352 8.139 9.348 1.00 0.00 O ATOM 0 HA SER A 61 -8.017 8.975 7.086 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.486 7.372 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.507 9.041 9.473 1.00 0.00 H new ATOM 0 HG SER A 61 -10.943 8.804 8.936 1.00 0.00 H new ATOM 915 N PHE A 62 -8.827 6.636 6.278 1.00 0.00 N ATOM 916 CA PHE A 62 -9.257 5.522 5.442 1.00 0.00 C ATOM 917 C PHE A 62 -8.823 4.189 6.045 1.00 0.00 C ATOM 918 O PHE A 62 -7.643 3.982 6.331 1.00 0.00 O ATOM 919 CB PHE A 62 -8.687 5.665 4.030 1.00 0.00 C ATOM 920 CG PHE A 62 -9.351 6.742 3.219 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.605 6.537 2.666 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.722 7.959 3.011 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.219 7.525 1.920 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.330 8.951 2.266 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.580 8.734 1.720 1.00 0.00 C ATOM 0 H PHE A 62 -7.885 6.539 6.657 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.346 5.540 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.620 5.878 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.789 4.714 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.108 5.594 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.745 8.134 3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.196 7.353 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.829 9.895 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.057 9.508 1.138 1.00 0.00 H new ATOM 935 N ARG A 63 -9.783 3.289 6.234 1.00 0.00 N ATOM 936 CA ARG A 63 -9.500 1.976 6.801 1.00 0.00 C ATOM 937 C ARG A 63 -9.647 0.885 5.745 1.00 0.00 C ATOM 938 O ARG A 63 -10.721 0.705 5.170 1.00 0.00 O ATOM 939 CB ARG A 63 -10.434 1.694 7.978 1.00 0.00 C ATOM 940 CG ARG A 63 -9.899 2.191 9.312 1.00 0.00 C ATOM 941 CD ARG A 63 -9.188 1.085 10.074 1.00 0.00 C ATOM 942 NE ARG A 63 -10.129 0.150 10.687 1.00 0.00 N ATOM 943 CZ ARG A 63 -9.782 -1.040 11.173 1.00 0.00 C ATOM 944 NH1 ARG A 63 -8.519 -1.444 11.118 1.00 0.00 N ATOM 945 NH2 ARG A 63 -10.701 -1.828 11.715 1.00 0.00 N ATOM 0 H ARG A 63 -10.764 3.446 6.003 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.470 1.975 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.399 2.163 7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.609 0.620 8.043 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.210 3.019 9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.721 2.578 9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.529 0.543 9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.558 1.525 10.847 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.109 0.425 10.746 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.809 -0.842 10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.259 -2.357 11.492 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.673 -1.522 11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.436 -2.740 12.087 1.00 0.00 H new ATOM 959 N VAL A 64 -8.562 0.160 5.495 1.00 0.00 N ATOM 960 CA VAL A 64 -8.572 -0.913 4.508 1.00 0.00 C ATOM 961 C VAL A 64 -8.458 -2.279 5.177 1.00 0.00 C ATOM 962 O VAL A 64 -7.579 -2.504 6.009 1.00 0.00 O ATOM 963 CB VAL A 64 -7.422 -0.754 3.495 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.629 0.487 2.641 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.082 -0.699 4.212 1.00 0.00 C ATOM 0 H VAL A 64 -7.665 0.296 5.962 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.524 -0.848 3.981 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.420 -1.623 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.807 0.582 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.569 0.401 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.659 1.368 3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.282 -0.587 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.070 0.150 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.932 -1.621 4.774 1.00 0.00 H new ATOM 975 N LEU A 65 -9.354 -3.188 4.806 1.00 0.00 N ATOM 976 CA LEU A 65 -9.356 -4.534 5.368 1.00 0.00 C ATOM 977 C LEU A 65 -9.172 -5.580 4.273 1.00 0.00 C ATOM 978 O LEU A 65 -9.750 -5.467 3.191 1.00 0.00 O ATOM 979 CB LEU A 65 -10.661 -4.793 6.122 1.00 0.00 C ATOM 980 CG LEU A 65 -10.535 -5.711 7.340 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.022 -7.080 6.923 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.616 -5.090 8.381 1.00 0.00 C ATOM 0 H LEU A 65 -10.088 -3.017 4.119 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.521 -4.611 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.070 -3.837 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.382 -5.229 5.430 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.523 -5.835 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.938 -7.720 7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.717 -7.528 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.043 -6.975 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.537 -5.756 9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.627 -4.937 7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.024 -4.131 8.701 1.00 0.00 H new ATOM 994 N VAL A 66 -8.366 -6.596 4.560 1.00 0.00 N ATOM 995 CA VAL A 66 -8.108 -7.660 3.597 1.00 0.00 C ATOM 996 C VAL A 66 -8.045 -9.020 4.283 1.00 0.00 C ATOM 997 O VAL A 66 -7.320 -9.201 5.262 1.00 0.00 O ATOM 998 CB VAL A 66 -6.791 -7.422 2.834 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.648 -8.416 1.692 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.723 -5.992 2.319 1.00 0.00 C ATOM 0 H VAL A 66 -7.881 -6.705 5.450 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.936 -7.651 2.889 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.960 -7.575 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.712 -8.232 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.647 -9.430 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.483 -8.299 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.786 -5.843 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.560 -5.808 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.774 -5.300 3.159 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.808 -9.975 3.761 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.838 -11.321 4.321 1.00 0.00 C ATOM 1012 C VAL A 67 -8.591 -12.368 3.240 1.00 0.00 C ATOM 1013 O VAL A 67 -9.344 -12.464 2.271 1.00 0.00 O ATOM 1014 CB VAL A 67 -10.188 -11.614 5.006 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -10.153 -12.966 5.704 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.542 -10.508 5.988 1.00 0.00 C ATOM 0 H VAL A 67 -9.414 -9.842 2.951 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.043 -11.374 5.065 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.962 -11.648 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.115 -13.154 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.952 -13.748 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.367 -12.965 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.498 -10.733 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.767 -10.438 6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.615 -9.559 5.457 1.00 0.00 H new ATOM 1026 N SER A 68 -7.530 -13.151 3.412 1.00 0.00 N ATOM 1027 CA SER A 68 -7.185 -14.190 2.448 1.00 0.00 C ATOM 1028 C SER A 68 -6.010 -15.026 2.945 1.00 0.00 C ATOM 1029 O SER A 68 -5.516 -14.825 4.055 1.00 0.00 O ATOM 1030 CB SER A 68 -6.845 -13.566 1.094 1.00 0.00 C ATOM 1031 OG SER A 68 -7.235 -14.415 0.028 1.00 0.00 O ATOM 0 H SER A 68 -6.896 -13.086 4.208 1.00 0.00 H new ATOM 0 HA SER A 68 -8.049 -14.844 2.332 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.346 -12.603 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.773 -13.375 1.037 1.00 0.00 H new ATOM 0 HG SER A 68 -6.744 -14.168 -0.783 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.567 -15.965 2.115 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.449 -16.833 2.467 1.00 0.00 C ATOM 1039 C ALA A 69 -3.151 -16.359 1.819 1.00 0.00 C ATOM 1040 O ALA A 69 -2.060 -16.711 2.266 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.750 -18.267 2.060 1.00 0.00 C ATOM 0 H ALA A 69 -5.966 -16.144 1.193 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.317 -16.790 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.908 -18.906 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.646 -18.612 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.912 -18.313 0.983 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.275 -15.558 0.762 1.00 0.00 N ATOM 1048 CA LYS A 70 -2.107 -15.040 0.055 1.00 0.00 C ATOM 1049 C LYS A 70 -1.162 -14.321 1.014 1.00 0.00 C ATOM 1050 O LYS A 70 0.053 -14.310 0.813 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.544 -14.088 -1.060 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.593 -14.063 -2.245 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.663 -12.861 -2.190 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.385 -12.308 -3.577 1.00 0.00 C ATOM 1055 NZ LYS A 70 0.749 -13.012 -4.238 1.00 0.00 N ATOM 0 H LYS A 70 -4.170 -15.255 0.378 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.574 -15.884 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.536 -14.378 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.631 -13.081 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.004 -14.980 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.166 -14.039 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.108 -12.083 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.276 -13.148 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.280 -12.404 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.160 -11.244 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.907 -12.605 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.609 -12.900 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.524 -14.023 -4.330 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.728 -13.721 2.057 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.935 -13.001 3.046 1.00 0.00 C ATOM 1071 C PHE A 71 -0.201 -13.970 3.967 1.00 0.00 C ATOM 1072 O PHE A 71 0.886 -13.671 4.459 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.831 -12.075 3.873 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.971 -10.698 3.290 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.858 -10.008 2.835 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.214 -10.093 3.197 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -0.983 -8.741 2.299 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.345 -8.826 2.662 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.228 -8.149 2.213 1.00 0.00 C ATOM 0 H PHE A 71 -2.732 -13.719 2.238 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.195 -12.402 2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.820 -12.525 3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.424 -11.994 4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.118 -10.466 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.091 -10.618 3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.108 -8.214 1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.320 -8.366 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.328 -7.158 1.795 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.802 -15.133 4.195 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.207 -16.146 5.057 1.00 0.00 C ATOM 1091 C GLU A 72 1.135 -16.613 4.501 1.00 0.00 C ATOM 1092 O GLU A 72 2.054 -16.930 5.254 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.157 -17.337 5.204 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.889 -17.369 6.535 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.035 -17.925 7.656 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.056 -17.255 8.046 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.345 -19.032 8.146 1.00 0.00 O ATOM 0 H GLU A 72 -1.702 -15.397 3.794 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.036 -15.702 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.889 -17.309 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.590 -18.260 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.209 -16.360 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.790 -17.974 6.435 1.00 0.00 H new ATOM 1104 N GLY A 73 1.240 -16.652 3.176 1.00 0.00 N ATOM 1105 CA GLY A 73 2.473 -17.080 2.541 1.00 0.00 C ATOM 1106 C GLY A 73 3.631 -16.147 2.835 1.00 0.00 C ATOM 1107 O GLY A 73 4.785 -16.574 2.877 1.00 0.00 O ATOM 0 H GLY A 73 0.493 -16.395 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.724 -18.084 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.322 -17.138 1.463 1.00 0.00 H new ATOM 1111 N LYS A 74 3.323 -14.870 3.038 1.00 0.00 N ATOM 1112 CA LYS A 74 4.347 -13.874 3.328 1.00 0.00 C ATOM 1113 C LYS A 74 4.404 -13.571 4.824 1.00 0.00 C ATOM 1114 O LYS A 74 3.420 -13.756 5.541 1.00 0.00 O ATOM 1115 CB LYS A 74 4.072 -12.588 2.546 1.00 0.00 C ATOM 1116 CG LYS A 74 4.182 -12.758 1.040 1.00 0.00 C ATOM 1117 CD LYS A 74 4.769 -11.520 0.381 1.00 0.00 C ATOM 1118 CE LYS A 74 5.044 -11.751 -1.096 1.00 0.00 C ATOM 1119 NZ LYS A 74 6.234 -12.621 -1.310 1.00 0.00 N ATOM 0 H LYS A 74 2.373 -14.501 3.007 1.00 0.00 H new ATOM 0 HA LYS A 74 5.311 -14.280 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.072 -12.230 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.774 -11.819 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.807 -13.622 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.196 -12.961 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.080 -10.684 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.695 -11.243 0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.171 -12.209 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.202 -10.792 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.731 -12.323 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.875 -12.539 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.928 -13.610 -1.411 1.00 0.00 H new ATOM 1133 N PRO A 75 5.562 -13.099 5.317 1.00 0.00 N ATOM 1134 CA PRO A 75 5.742 -12.770 6.735 1.00 0.00 C ATOM 1135 C PRO A 75 4.884 -11.585 7.166 1.00 0.00 C ATOM 1136 O PRO A 75 4.378 -10.836 6.331 1.00 0.00 O ATOM 1137 CB PRO A 75 7.230 -12.420 6.839 1.00 0.00 C ATOM 1138 CG PRO A 75 7.625 -12.018 5.459 1.00 0.00 C ATOM 1139 CD PRO A 75 6.785 -12.848 4.531 1.00 0.00 C ATOM 0 HA PRO A 75 5.441 -13.592 7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.397 -11.611 7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.814 -13.273 7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.451 -10.954 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.687 -12.196 5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.566 -12.318 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.285 -13.777 4.257 1.00 0.00 H new ATOM 1147 N LEU A 76 4.725 -11.423 8.476 1.00 0.00 N ATOM 1148 CA LEU A 76 3.927 -10.329 9.020 1.00 0.00 C ATOM 1149 C LEU A 76 4.463 -8.978 8.557 1.00 0.00 C ATOM 1150 O LEU A 76 3.705 -8.020 8.400 1.00 0.00 O ATOM 1151 CB LEU A 76 3.920 -10.390 10.549 1.00 0.00 C ATOM 1152 CG LEU A 76 2.710 -9.735 11.218 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.360 -10.456 12.509 1.00 0.00 C ATOM 1154 CD2 LEU A 76 2.982 -8.262 11.484 1.00 0.00 C ATOM 0 H LEU A 76 5.138 -12.035 9.180 1.00 0.00 H new ATOM 0 HA LEU A 76 2.907 -10.439 8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.964 -11.435 10.856 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.825 -9.910 10.921 1.00 0.00 H new ATOM 0 HG LEU A 76 1.858 -9.811 10.542 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.497 -9.976 12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.123 -11.497 12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.208 -10.412 13.192 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.111 -7.811 11.960 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.846 -8.164 12.141 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.184 -7.753 10.541 1.00 0.00 H new ATOM 1166 N LEU A 77 5.772 -8.908 8.340 1.00 0.00 N ATOM 1167 CA LEU A 77 6.408 -7.672 7.894 1.00 0.00 C ATOM 1168 C LEU A 77 6.120 -7.412 6.419 1.00 0.00 C ATOM 1169 O LEU A 77 6.035 -6.263 5.987 1.00 0.00 O ATOM 1170 CB LEU A 77 7.919 -7.738 8.128 1.00 0.00 C ATOM 1171 CG LEU A 77 8.618 -8.950 7.506 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.875 -8.522 6.763 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.956 -9.978 8.577 1.00 0.00 C ATOM 0 H LEU A 77 6.413 -9.691 8.465 1.00 0.00 H new ATOM 0 HA LEU A 77 5.993 -6.849 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.373 -6.831 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.105 -7.742 9.202 1.00 0.00 H new ATOM 0 HG LEU A 77 7.936 -9.408 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.357 -9.398 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.609 -7.823 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.561 -8.038 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.452 -10.833 8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.618 -9.528 9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.040 -10.310 9.065 1.00 0.00 H new ATOM 1185 N GLN A 78 5.972 -8.486 5.651 1.00 0.00 N ATOM 1186 CA GLN A 78 5.696 -8.373 4.224 1.00 0.00 C ATOM 1187 C GLN A 78 4.246 -7.964 3.980 1.00 0.00 C ATOM 1188 O GLN A 78 3.938 -7.287 2.999 1.00 0.00 O ATOM 1189 CB GLN A 78 5.990 -9.698 3.518 1.00 0.00 C ATOM 1190 CG GLN A 78 7.417 -9.812 3.009 1.00 0.00 C ATOM 1191 CD GLN A 78 7.513 -9.668 1.502 1.00 0.00 C ATOM 1192 OE1 GLN A 78 7.134 -8.641 0.941 1.00 0.00 O ATOM 1193 NE2 GLN A 78 8.020 -10.702 0.841 1.00 0.00 N ATOM 0 H GLN A 78 6.039 -9.445 5.993 1.00 0.00 H new ATOM 0 HA GLN A 78 6.347 -7.600 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.792 -10.519 4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.304 -9.813 2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.030 -9.046 3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.828 -10.777 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.321 -11.534 1.349 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.108 -10.665 -0.175 1.00 0.00 H new ATOM 1202 N ARG A 79 3.360 -8.379 4.880 1.00 0.00 N ATOM 1203 CA ARG A 79 1.942 -8.056 4.761 1.00 0.00 C ATOM 1204 C ARG A 79 1.726 -6.546 4.763 1.00 0.00 C ATOM 1205 O ARG A 79 1.163 -5.988 3.821 1.00 0.00 O ATOM 1206 CB ARG A 79 1.154 -8.698 5.905 1.00 0.00 C ATOM 1207 CG ARG A 79 1.441 -10.179 6.084 1.00 0.00 C ATOM 1208 CD ARG A 79 0.225 -10.923 6.615 1.00 0.00 C ATOM 1209 NE ARG A 79 0.314 -11.162 8.054 1.00 0.00 N ATOM 1210 CZ ARG A 79 1.043 -12.133 8.600 1.00 0.00 C ATOM 1211 NH1 ARG A 79 1.747 -12.956 7.832 1.00 0.00 N ATOM 1212 NH2 ARG A 79 1.068 -12.281 9.917 1.00 0.00 N ATOM 0 H ARG A 79 3.598 -8.939 5.699 1.00 0.00 H new ATOM 0 HA ARG A 79 1.582 -8.455 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.387 -8.176 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.088 -8.562 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.744 -10.610 5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.277 -10.308 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.675 -10.348 6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.127 -11.876 6.095 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.213 -10.549 8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.731 -12.846 6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.304 -13.698 8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.529 -11.651 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.626 -13.025 10.336 1.00 0.00 H new ATOM 1226 N HIS A 80 2.177 -5.891 5.828 1.00 0.00 N ATOM 1227 CA HIS A 80 2.031 -4.445 5.953 1.00 0.00 C ATOM 1228 C HIS A 80 2.783 -3.725 4.838 1.00 0.00 C ATOM 1229 O HIS A 80 2.255 -2.805 4.214 1.00 0.00 O ATOM 1230 CB HIS A 80 2.545 -3.976 7.315 1.00 0.00 C ATOM 1231 CG HIS A 80 1.665 -4.379 8.458 1.00 0.00 C ATOM 1232 ND1 HIS A 80 1.757 -3.816 9.714 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.670 -5.294 8.530 1.00 0.00 C ATOM 1234 CE1 HIS A 80 0.858 -4.369 10.509 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.186 -5.268 9.815 1.00 0.00 N ATOM 0 H HIS A 80 2.646 -6.338 6.616 1.00 0.00 H new ATOM 0 HA HIS A 80 0.972 -4.203 5.869 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.544 -4.381 7.476 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.639 -2.890 7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.322 -5.926 7.727 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.700 -4.127 11.550 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.571 -5.850 10.175 1.00 0.00 H new ATOM 1244 N ARG A 81 4.018 -4.149 4.594 1.00 0.00 N ATOM 1245 CA ARG A 81 4.843 -3.545 3.555 1.00 0.00 C ATOM 1246 C ARG A 81 4.188 -3.691 2.186 1.00 0.00 C ATOM 1247 O ARG A 81 4.320 -2.819 1.327 1.00 0.00 O ATOM 1248 CB ARG A 81 6.231 -4.185 3.540 1.00 0.00 C ATOM 1249 CG ARG A 81 7.350 -3.208 3.219 1.00 0.00 C ATOM 1250 CD ARG A 81 8.582 -3.924 2.689 1.00 0.00 C ATOM 1251 NE ARG A 81 9.538 -4.229 3.751 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.249 -3.306 4.395 1.00 0.00 C ATOM 1253 NH1 ARG A 81 10.114 -2.022 4.089 1.00 0.00 N ATOM 1254 NH2 ARG A 81 11.096 -3.670 5.348 1.00 0.00 N ATOM 0 H ARG A 81 4.470 -4.909 5.102 1.00 0.00 H new ATOM 0 HA ARG A 81 4.943 -2.483 3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.423 -4.637 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.242 -4.991 2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.002 -2.485 2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.612 -2.646 4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.280 -4.848 2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.065 -3.304 1.934 1.00 0.00 H new ATOM 0 HE ARG A 81 9.668 -5.206 4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.463 -1.738 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.661 -1.319 4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.202 -4.656 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.642 -2.964 5.842 1.00 0.00 H new ATOM 1268 N LEU A 82 3.480 -4.799 1.989 1.00 0.00 N ATOM 1269 CA LEU A 82 2.804 -5.060 0.724 1.00 0.00 C ATOM 1270 C LEU A 82 1.771 -3.977 0.425 1.00 0.00 C ATOM 1271 O LEU A 82 1.652 -3.517 -0.711 1.00 0.00 O ATOM 1272 CB LEU A 82 2.128 -6.432 0.758 1.00 0.00 C ATOM 1273 CG LEU A 82 2.987 -7.589 0.245 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.316 -8.923 0.540 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.244 -7.439 -1.247 1.00 0.00 C ATOM 0 H LEU A 82 3.360 -5.530 2.690 1.00 0.00 H new ATOM 0 HA LEU A 82 3.552 -5.051 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.830 -6.648 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.215 -6.386 0.164 1.00 0.00 H new ATOM 0 HG LEU A 82 3.945 -7.564 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.941 -9.735 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.181 -9.032 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.344 -8.958 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.857 -8.270 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.294 -7.439 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.766 -6.500 -1.434 1.00 0.00 H new ATOM 1287 N VAL A 83 1.029 -3.576 1.451 1.00 0.00 N ATOM 1288 CA VAL A 83 0.006 -2.547 1.298 1.00 0.00 C ATOM 1289 C VAL A 83 0.634 -1.162 1.178 1.00 0.00 C ATOM 1290 O VAL A 83 0.112 -0.292 0.481 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.978 -2.552 2.483 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.133 -1.598 2.224 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.488 -3.960 2.748 1.00 0.00 C ATOM 0 H VAL A 83 1.116 -3.947 2.397 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.539 -2.776 0.383 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.448 -2.209 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.817 -1.616 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.747 -0.587 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.664 -1.906 1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.182 -3.943 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.000 -4.334 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.648 -4.613 2.984 1.00 0.00 H new ATOM 1303 N ASN A 84 1.756 -0.966 1.861 1.00 0.00 N ATOM 1304 CA ASN A 84 2.456 0.313 1.831 1.00 0.00 C ATOM 1305 C ASN A 84 3.120 0.537 0.476 1.00 0.00 C ATOM 1306 O ASN A 84 3.138 1.654 -0.040 1.00 0.00 O ATOM 1307 CB ASN A 84 3.506 0.371 2.942 1.00 0.00 C ATOM 1308 CG ASN A 84 2.947 0.925 4.238 1.00 0.00 C ATOM 1309 OD1 ASN A 84 2.982 2.133 4.475 1.00 0.00 O ATOM 1310 ND2 ASN A 84 2.428 0.043 5.084 1.00 0.00 N ATOM 0 H ASN A 84 2.201 -1.676 2.442 1.00 0.00 H new ATOM 0 HA ASN A 84 1.723 1.104 1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.900 -0.630 3.118 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.342 0.990 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.037 0.357 5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.420 -0.949 4.846 1.00 0.00 H new ATOM 1317 N GLU A 85 3.665 -0.533 -0.094 1.00 0.00 N ATOM 1318 CA GLU A 85 4.329 -0.453 -1.390 1.00 0.00 C ATOM 1319 C GLU A 85 3.351 -0.025 -2.479 1.00 0.00 C ATOM 1320 O GLU A 85 3.671 0.814 -3.320 1.00 0.00 O ATOM 1321 CB GLU A 85 4.954 -1.803 -1.749 1.00 0.00 C ATOM 1322 CG GLU A 85 6.226 -2.110 -0.978 1.00 0.00 C ATOM 1323 CD GLU A 85 7.300 -2.733 -1.847 1.00 0.00 C ATOM 1324 OE1 GLU A 85 6.947 -3.380 -2.855 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.496 -2.574 -1.520 1.00 0.00 O ATOM 0 H GLU A 85 3.660 -1.465 0.321 1.00 0.00 H new ATOM 0 HA GLU A 85 5.116 0.298 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.226 -2.592 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.173 -1.820 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.610 -1.190 -0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.993 -2.785 -0.155 1.00 0.00 H new ATOM 1332 N CYS A 86 2.157 -0.608 -2.456 1.00 0.00 N ATOM 1333 CA CYS A 86 1.131 -0.288 -3.441 1.00 0.00 C ATOM 1334 C CYS A 86 0.761 1.190 -3.380 1.00 0.00 C ATOM 1335 O CYS A 86 0.899 1.917 -4.364 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.114 -1.146 -3.210 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.948 -1.661 -4.730 1.00 0.00 S ATOM 0 H CYS A 86 1.876 -1.305 -1.766 1.00 0.00 H new ATOM 0 HA CYS A 86 1.534 -0.504 -4.431 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.170 -2.034 -2.645 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.818 -0.587 -2.593 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.987 -2.383 -4.432 1.00 0.00 H new ATOM 1343 N LEU A 87 0.291 1.630 -2.217 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.098 3.022 -2.027 1.00 0.00 C ATOM 1345 C LEU A 87 1.022 3.814 -1.360 1.00 0.00 C ATOM 1346 O LEU A 87 0.771 4.676 -0.517 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.371 3.107 -1.182 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.432 2.051 -1.500 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.495 2.018 -0.413 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.062 2.324 -2.857 1.00 0.00 C ATOM 0 H LEU A 87 0.170 1.042 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.291 3.456 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.097 3.020 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.812 4.095 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.948 1.075 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.241 1.261 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.031 1.776 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.977 2.993 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.814 1.564 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.532 3.308 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.292 2.296 -3.628 1.00 0.00 H new ATOM 1362 N ALA A 88 2.259 3.516 -1.743 1.00 0.00 N ATOM 1363 CA ALA A 88 3.419 4.199 -1.184 1.00 0.00 C ATOM 1364 C ALA A 88 3.384 5.691 -1.499 1.00 0.00 C ATOM 1365 O ALA A 88 3.560 6.526 -0.613 1.00 0.00 O ATOM 1366 CB ALA A 88 4.702 3.576 -1.711 1.00 0.00 C ATOM 0 H ALA A 88 2.484 2.805 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 88 3.390 4.083 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.560 4.096 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.738 2.524 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.728 3.661 -2.797 1.00 0.00 H new ATOM 1372 N GLU A 89 3.157 6.018 -2.767 1.00 0.00 N ATOM 1373 CA GLU A 89 3.101 7.409 -3.199 1.00 0.00 C ATOM 1374 C GLU A 89 1.790 8.061 -2.769 1.00 0.00 C ATOM 1375 O GLU A 89 1.751 9.251 -2.454 1.00 0.00 O ATOM 1376 CB GLU A 89 3.255 7.500 -4.718 1.00 0.00 C ATOM 1377 CG GLU A 89 4.523 6.846 -5.241 1.00 0.00 C ATOM 1378 CD GLU A 89 4.720 7.063 -6.728 1.00 0.00 C ATOM 1379 OE1 GLU A 89 4.405 8.169 -7.214 1.00 0.00 O ATOM 1380 OE2 GLU A 89 5.189 6.126 -7.408 1.00 0.00 O ATOM 0 H GLU A 89 3.009 5.338 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 89 3.924 7.943 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.392 7.031 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.249 8.549 -5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.382 7.246 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.487 5.776 -5.035 1.00 0.00 H new ATOM 1387 N GLU A 90 0.719 7.274 -2.760 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.596 7.773 -2.371 1.00 0.00 C ATOM 1389 C GLU A 90 -0.696 7.953 -0.857 1.00 0.00 C ATOM 1390 O GLU A 90 -1.434 8.811 -0.374 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.689 6.817 -2.854 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.163 7.103 -4.269 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.402 6.306 -5.311 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -1.463 5.058 -5.266 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -0.746 6.928 -6.173 1.00 0.00 O ATOM 0 H GLU A 90 0.736 6.287 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.735 8.747 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.314 5.795 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.540 6.878 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.226 6.873 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.051 8.167 -4.478 1.00 0.00 H new ATOM 1402 N LEU A 91 0.043 7.132 -0.115 1.00 0.00 N ATOM 1403 CA LEU A 91 0.029 7.194 1.345 1.00 0.00 C ATOM 1404 C LEU A 91 0.234 8.624 1.849 1.00 0.00 C ATOM 1405 O LEU A 91 -0.607 9.159 2.571 1.00 0.00 O ATOM 1406 CB LEU A 91 1.106 6.272 1.925 1.00 0.00 C ATOM 1407 CG LEU A 91 0.593 4.930 2.453 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.726 4.136 3.084 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.531 5.146 3.455 1.00 0.00 C ATOM 0 H LEU A 91 0.659 6.416 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.952 6.858 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.853 6.081 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.612 6.795 2.736 1.00 0.00 H new ATOM 0 HG LEU A 91 0.200 4.358 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.342 3.185 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.499 3.950 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.150 4.703 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.884 4.181 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.163 5.738 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.353 5.673 2.971 1.00 0.00 H new ATOM 1421 N PRO A 92 1.358 9.264 1.476 1.00 0.00 N ATOM 1422 CA PRO A 92 1.662 10.635 1.897 1.00 0.00 C ATOM 1423 C PRO A 92 0.462 11.568 1.771 1.00 0.00 C ATOM 1424 O PRO A 92 0.313 12.511 2.549 1.00 0.00 O ATOM 1425 CB PRO A 92 2.768 11.054 0.931 1.00 0.00 C ATOM 1426 CG PRO A 92 3.466 9.785 0.585 1.00 0.00 C ATOM 1427 CD PRO A 92 2.419 8.701 0.619 1.00 0.00 C ATOM 0 HA PRO A 92 1.945 10.686 2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.358 11.535 0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.449 11.768 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.925 9.851 -0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.266 9.575 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.047 8.472 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.816 7.774 1.031 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.392 11.300 0.788 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.579 12.118 0.562 1.00 0.00 C ATOM 1437 C HIS A 93 -2.649 11.827 1.609 1.00 0.00 C ATOM 1438 O HIS A 93 -3.423 12.707 1.983 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.138 11.867 -0.839 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.265 12.394 -1.936 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.544 13.553 -2.630 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.111 11.914 -2.457 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.602 13.762 -3.531 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.279 12.783 -3.447 1.00 0.00 N ATOM 0 H HIS A 93 -0.284 10.523 0.136 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.289 13.165 0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.276 10.795 -0.979 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.123 12.328 -0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.406 11.016 -2.152 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.560 14.593 -4.220 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.115 12.687 -4.024 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.685 10.583 2.079 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.659 10.174 3.084 1.00 0.00 C ATOM 1455 C ILE A 94 -3.291 10.717 4.459 1.00 0.00 C ATOM 1456 O ILE A 94 -2.252 10.367 5.019 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.770 8.639 3.168 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.925 8.037 1.769 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.938 8.238 4.057 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.207 8.441 1.076 1.00 0.00 C ATOM 0 H ILE A 94 -2.051 9.842 1.780 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.620 10.586 2.777 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.853 8.249 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.078 8.342 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.889 6.950 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.002 7.151 4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.786 8.638 5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.864 8.638 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.249 7.978 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.060 8.111 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.237 9.525 0.969 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.150 11.575 5.002 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.914 12.164 6.315 1.00 0.00 C ATOM 1474 C HIS A 95 -3.822 11.081 7.385 1.00 0.00 C ATOM 1475 O HIS A 95 -3.062 11.205 8.346 1.00 0.00 O ATOM 1476 CB HIS A 95 -5.032 13.148 6.665 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.686 14.070 7.793 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -3.396 14.264 8.239 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -5.472 14.854 8.569 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -3.403 15.127 9.240 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -4.650 15.500 9.459 1.00 0.00 N ATOM 0 H HIS A 95 -5.015 11.877 4.553 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.966 12.700 6.281 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.273 13.741 5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.929 12.588 6.927 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.545 14.953 8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.536 15.469 9.786 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.954 16.161 10.174 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.599 10.018 7.209 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.607 8.909 8.154 1.00 0.00 C ATOM 1492 C ALA A 96 -4.990 7.606 7.462 1.00 0.00 C ATOM 1493 O ALA A 96 -6.102 7.467 6.950 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.560 9.200 9.303 1.00 0.00 C ATOM 0 H ALA A 96 -5.233 9.901 6.418 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.600 8.796 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.555 8.363 10.001 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.241 10.105 9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.568 9.341 8.913 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.065 6.653 7.451 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.307 5.360 6.819 1.00 0.00 C ATOM 1502 C PHE A 97 -4.160 4.224 7.826 1.00 0.00 C ATOM 1503 O PHE A 97 -3.301 4.267 8.705 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.338 5.151 5.654 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.749 4.046 4.723 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -4.608 4.296 3.665 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -3.276 2.756 4.906 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.987 3.282 2.807 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -3.652 1.737 4.051 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.509 2.000 3.001 1.00 0.00 C ATOM 0 H PHE A 97 -3.141 6.751 7.872 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.329 5.355 6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.256 6.080 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.347 4.931 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.986 5.296 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.606 2.545 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.656 3.491 1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.276 0.736 4.204 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.805 1.205 2.332 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.006 3.208 7.688 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.972 2.058 8.583 1.00 0.00 C ATOM 1522 C GLU A 98 -5.211 0.764 7.812 1.00 0.00 C ATOM 1523 O GLU A 98 -6.255 0.588 7.184 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.022 2.210 9.685 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.790 1.295 10.877 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.227 2.032 12.076 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -6.025 2.583 12.863 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -3.987 2.057 12.230 1.00 0.00 O ATOM 0 H GLU A 98 -5.723 3.158 6.965 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.983 2.012 9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.030 3.245 10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.008 2.005 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.731 0.821 11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.104 0.498 10.590 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.236 -0.138 7.862 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.341 -1.416 7.166 1.00 0.00 C ATOM 1537 C GLN A 99 -4.294 -2.579 8.151 1.00 0.00 C ATOM 1538 O GLN A 99 -3.590 -2.525 9.159 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.213 -1.554 6.142 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.851 -1.149 6.680 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.770 -1.183 5.617 1.00 0.00 C ATOM 1542 OE1 GLN A 99 0.026 -2.119 5.554 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -0.737 -0.158 4.773 1.00 0.00 N ATOM 0 H GLN A 99 -3.365 -0.008 8.377 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.300 -1.442 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.167 -2.588 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.447 -0.942 5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.914 -0.144 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.574 -1.816 7.496 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.417 0.597 4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.032 -0.126 4.036 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.047 -3.631 7.850 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.092 -4.810 8.707 1.00 0.00 C ATOM 1554 C LYS A 100 -5.249 -6.079 7.876 1.00 0.00 C ATOM 1555 O LYS A 100 -6.228 -6.239 7.148 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.241 -4.693 9.711 1.00 0.00 C ATOM 1557 CG LYS A 100 -5.820 -4.955 11.149 1.00 0.00 C ATOM 1558 CD LYS A 100 -5.572 -3.658 11.902 1.00 0.00 C ATOM 1559 CE LYS A 100 -4.413 -3.792 12.876 1.00 0.00 C ATOM 1560 NZ LYS A 100 -3.617 -2.537 12.968 1.00 0.00 N ATOM 0 H LYS A 100 -5.635 -3.692 7.019 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.150 -4.870 9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.672 -3.694 9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.026 -5.398 9.437 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.595 -5.529 11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.915 -5.562 11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.361 -2.858 11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.473 -3.373 12.445 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.796 -4.052 13.863 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.766 -4.610 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.836 -2.670 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.230 -2.302 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.228 -1.761 13.294 1.00 0.00 H new ATOM 1574 N THR A 101 -4.278 -6.980 7.990 1.00 0.00 N ATOM 1575 CA THR A 101 -4.309 -8.235 7.249 1.00 0.00 C ATOM 1576 C THR A 101 -4.482 -9.422 8.192 1.00 0.00 C ATOM 1577 O THR A 101 -3.855 -9.482 9.250 1.00 0.00 O ATOM 1578 CB THR A 101 -3.025 -8.401 6.434 1.00 0.00 C ATOM 1579 OG1 THR A 101 -1.930 -8.705 7.279 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.660 -7.168 5.635 1.00 0.00 C ATOM 0 H THR A 101 -3.460 -6.864 8.589 1.00 0.00 H new ATOM 0 HA THR A 101 -5.162 -8.206 6.571 1.00 0.00 H new ATOM 0 HB THR A 101 -3.227 -9.217 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.319 -7.940 7.311 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.740 -7.353 5.080 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.464 -6.936 4.937 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.513 -6.326 6.312 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.336 -10.361 7.802 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.592 -11.546 8.612 1.00 0.00 C ATOM 1590 C LEU A 102 -5.956 -12.739 7.732 1.00 0.00 C ATOM 1591 O LEU A 102 -6.125 -12.600 6.520 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.715 -11.271 9.616 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.288 -11.282 11.085 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.476 -10.987 11.987 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.661 -12.620 11.446 1.00 0.00 C ATOM 0 H LEU A 102 -5.863 -10.325 6.930 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.680 -11.787 9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.155 -10.300 9.389 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.498 -12.016 9.475 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.542 -10.501 11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.154 -10.999 13.028 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.882 -10.005 11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.244 -11.745 11.836 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.363 -12.611 12.494 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.386 -13.418 11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.785 -12.792 10.821 1.00 0.00 H new ATOM 1607 N THR A 103 -6.077 -13.908 8.350 1.00 0.00 N ATOM 1608 CA THR A 103 -6.423 -15.125 7.625 1.00 0.00 C ATOM 1609 C THR A 103 -7.931 -15.357 7.641 1.00 0.00 C ATOM 1610 O THR A 103 -8.628 -14.899 8.546 1.00 0.00 O ATOM 1611 CB THR A 103 -5.703 -16.329 8.235 1.00 0.00 C ATOM 1612 OG1 THR A 103 -6.155 -16.566 9.556 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.200 -16.163 8.287 1.00 0.00 C ATOM 0 H THR A 103 -5.941 -14.039 9.352 1.00 0.00 H new ATOM 0 HA THR A 103 -6.103 -15.006 6.590 1.00 0.00 H new ATOM 0 HB THR A 103 -5.937 -17.169 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.092 -17.523 9.757 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.751 -17.052 8.730 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.814 -16.027 7.277 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.951 -15.291 8.891 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.459 -16.077 6.634 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.893 -16.368 6.539 1.00 0.00 C ATOM 1623 C PRO A 104 -10.376 -17.262 7.675 1.00 0.00 C ATOM 1624 O PRO A 104 -11.531 -17.181 8.095 1.00 0.00 O ATOM 1625 CB PRO A 104 -10.028 -17.091 5.195 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.671 -17.640 4.917 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.700 -16.662 5.515 1.00 0.00 C ATOM 0 HA PRO A 104 -10.496 -15.463 6.610 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.773 -17.885 5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.346 -16.407 4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.552 -18.629 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.506 -17.748 3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.791 -17.156 5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.397 -15.903 4.794 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.485 -18.115 8.171 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.820 -19.023 9.260 1.00 0.00 C ATOM 1637 C GLU A 105 -9.998 -18.258 10.569 1.00 0.00 C ATOM 1638 O GLU A 105 -10.852 -18.598 11.386 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.729 -20.085 9.418 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.117 -21.443 8.853 1.00 0.00 C ATOM 1641 CD GLU A 105 -10.057 -22.206 9.765 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -11.264 -21.886 9.777 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -9.584 -23.125 10.468 1.00 0.00 O ATOM 0 H GLU A 105 -8.525 -18.196 7.835 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.762 -19.514 9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.822 -19.739 8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.491 -20.195 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.591 -21.306 7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.217 -22.035 8.688 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.186 -17.222 10.757 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.255 -16.408 11.966 1.00 0.00 C ATOM 1652 C GLN A 106 -10.470 -15.485 11.931 1.00 0.00 C ATOM 1653 O GLN A 106 -11.205 -15.374 12.912 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.978 -15.581 12.121 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.794 -16.383 12.638 1.00 0.00 C ATOM 1656 CD GLN A 106 -5.913 -15.582 13.575 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -6.118 -14.384 13.768 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -4.922 -16.242 14.164 1.00 0.00 N ATOM 0 H GLN A 106 -8.474 -16.927 10.089 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.353 -17.077 12.821 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.718 -15.145 11.156 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.171 -14.753 12.803 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.159 -17.269 13.157 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.199 -16.731 11.794 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.788 -17.235 13.976 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.295 -15.755 14.805 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.675 -14.828 10.795 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.801 -13.915 10.633 1.00 0.00 C ATOM 1669 C TRP A 107 -13.128 -14.651 10.799 1.00 0.00 C ATOM 1670 O TRP A 107 -13.981 -14.241 11.586 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.746 -13.243 9.262 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.170 -11.808 9.298 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.425 -11.322 9.087 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.338 -10.674 9.567 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.426 -9.952 9.201 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.156 -9.531 9.496 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -9.982 -10.516 9.858 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.660 -8.247 9.707 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.490 -9.241 10.068 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.328 -8.121 9.992 1.00 0.00 C ATOM 0 H TRP A 107 -10.077 -14.910 9.973 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.731 -13.151 11.407 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.730 -13.306 8.873 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.387 -13.789 8.570 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.293 -11.925 8.863 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.239 -9.348 9.085 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.329 -11.374 9.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.304 -7.382 9.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.443 -9.106 10.294 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -9.914 -7.138 10.162 1.00 0.00 H new ATOM 1691 N THR A 108 -13.294 -15.738 10.053 1.00 0.00 N ATOM 1692 CA THR A 108 -14.517 -16.530 10.118 1.00 0.00 C ATOM 1693 C THR A 108 -14.743 -17.071 11.526 1.00 0.00 C ATOM 1694 O THR A 108 -15.880 -17.280 11.946 1.00 0.00 O ATOM 1695 CB THR A 108 -14.450 -17.686 9.120 1.00 0.00 C ATOM 1696 OG1 THR A 108 -14.107 -17.215 7.829 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.752 -18.447 9.000 1.00 0.00 C ATOM 0 H THR A 108 -12.597 -16.091 9.397 1.00 0.00 H new ATOM 0 HA THR A 108 -15.355 -15.882 9.860 1.00 0.00 H new ATOM 0 HB THR A 108 -13.687 -18.361 9.509 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.167 -17.421 7.645 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.637 -19.254 8.276 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.020 -18.866 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.539 -17.771 8.667 1.00 0.00 H new