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 70 LYS NZ :NH3+ -151:sc= -0.0813 (180deg=-0.831) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 152:sc= -0.0781 (180deg=-0.975) 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 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.711 X(o=-0.71,f=-0.76) USER MOD Single : A 47 HIS : no HD1:sc= -0.925 X(o=-0.92,f=-0.44) USER MOD Single : A 61 SER OG : rot 32:sc= 0.464 USER MOD Single : A 68 SER OG : rot -160:sc= -0.0203 USER MOD Single : A 78 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.012) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.4!) USER MOD Single : A 86 CYS SG : rot 50:sc= -0.927 USER MOD Single : A 93 HIS : no HD1:sc= -0.252 X(o=-0.25,f=0.024) USER MOD Single : A 95 HIS : no HD1:sc= -0.0622 X(o=-0.062,f=-0.21) USER MOD Single : A 99 GLN : amide:sc= -0.942 K(o=-0.94,f=-2.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -170:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1 USER MOD Single : A 106 GLN : amide:sc= -0.145 K(o=-0.14,f=-2.2!) USER MOD Single : A 108 THR OG1 : rot 96:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.532 7.468 -3.479 1.00 0.00 N ATOM 428 CA SER A 31 -10.885 7.140 -3.045 1.00 0.00 C ATOM 429 C SER A 31 -10.922 5.776 -2.364 1.00 0.00 C ATOM 430 O SER A 31 -10.037 4.945 -2.567 1.00 0.00 O ATOM 431 CB SER A 31 -11.842 7.153 -4.239 1.00 0.00 C ATOM 432 OG SER A 31 -13.190 7.065 -3.814 1.00 0.00 O ATOM 0 HA SER A 31 -11.202 7.894 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.698 8.068 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.612 6.319 -4.903 1.00 0.00 H new ATOM 0 HG SER A 31 -13.781 7.077 -4.596 1.00 0.00 H new ATOM 438 N ALA A 32 -11.953 5.552 -1.555 1.00 0.00 N ATOM 439 CA ALA A 32 -12.104 4.289 -0.843 1.00 0.00 C ATOM 440 C ALA A 32 -12.192 3.117 -1.816 1.00 0.00 C ATOM 441 O ALA A 32 -11.528 2.097 -1.635 1.00 0.00 O ATOM 442 CB ALA A 32 -13.336 4.330 0.048 1.00 0.00 C ATOM 0 H ALA A 32 -12.695 6.228 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.222 4.144 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.437 3.380 0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.234 5.137 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.222 4.502 -0.564 1.00 0.00 H new ATOM 448 N ASP A 33 -13.016 3.272 -2.847 1.00 0.00 N ATOM 449 CA ASP A 33 -13.191 2.225 -3.849 1.00 0.00 C ATOM 450 C ASP A 33 -11.897 1.990 -4.621 1.00 0.00 C ATOM 451 O ASP A 33 -11.614 0.872 -5.051 1.00 0.00 O ATOM 452 CB ASP A 33 -14.317 2.601 -4.815 1.00 0.00 C ATOM 453 CG ASP A 33 -15.600 1.847 -4.528 1.00 0.00 C ATOM 454 OD1 ASP A 33 -16.071 1.895 -3.371 1.00 0.00 O ATOM 455 OD2 ASP A 33 -16.136 1.209 -5.459 1.00 0.00 O ATOM 0 H ASP A 33 -13.573 4.111 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.457 1.302 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.506 3.672 -4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.999 2.396 -5.837 1.00 0.00 H new ATOM 460 N TYR A 34 -11.114 3.050 -4.792 1.00 0.00 N ATOM 461 CA TYR A 34 -9.849 2.960 -5.511 1.00 0.00 C ATOM 462 C TYR A 34 -8.843 2.113 -4.739 1.00 0.00 C ATOM 463 O TYR A 34 -8.303 1.139 -5.263 1.00 0.00 O ATOM 464 CB TYR A 34 -9.277 4.357 -5.757 1.00 0.00 C ATOM 465 CG TYR A 34 -7.980 4.354 -6.534 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.918 3.823 -7.817 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.818 4.881 -5.986 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.735 3.819 -8.530 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.631 4.880 -6.693 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.595 4.347 -7.964 1.00 0.00 C ATOM 471 OH TYR A 34 -4.414 4.345 -8.672 1.00 0.00 O ATOM 0 H TYR A 34 -11.334 3.982 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.039 2.480 -6.471 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.013 4.951 -6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.114 4.848 -4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.809 3.407 -8.264 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.843 5.299 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.704 3.404 -9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.736 5.294 -6.252 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.707 4.755 -8.130 1.00 0.00 H new ATOM 481 N LEU A 35 -8.593 2.494 -3.490 1.00 0.00 N ATOM 482 CA LEU A 35 -7.650 1.770 -2.645 1.00 0.00 C ATOM 483 C LEU A 35 -8.147 0.356 -2.359 1.00 0.00 C ATOM 484 O LEU A 35 -7.352 -0.567 -2.184 1.00 0.00 O ATOM 485 CB LEU A 35 -7.431 2.522 -1.330 1.00 0.00 C ATOM 486 CG LEU A 35 -7.106 4.009 -1.481 1.00 0.00 C ATOM 487 CD1 LEU A 35 -7.000 4.673 -0.117 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.819 4.194 -2.269 1.00 0.00 C ATOM 0 H LEU A 35 -9.030 3.299 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.702 1.700 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.328 2.422 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.618 2.042 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.917 4.486 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.768 5.730 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.947 4.570 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.208 4.195 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.602 5.258 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.998 3.703 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.932 3.754 -3.260 1.00 0.00 H new ATOM 500 N ARG A 36 -9.465 0.195 -2.312 1.00 0.00 N ATOM 501 CA ARG A 36 -10.067 -1.107 -2.047 1.00 0.00 C ATOM 502 C ARG A 36 -9.850 -2.058 -3.220 1.00 0.00 C ATOM 503 O ARG A 36 -9.239 -3.116 -3.070 1.00 0.00 O ATOM 504 CB ARG A 36 -11.564 -0.954 -1.770 1.00 0.00 C ATOM 505 CG ARG A 36 -12.179 -2.154 -1.071 1.00 0.00 C ATOM 506 CD ARG A 36 -13.664 -2.274 -1.372 1.00 0.00 C ATOM 507 NE ARG A 36 -13.931 -3.233 -2.441 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.066 -3.275 -3.133 1.00 0.00 C ATOM 509 NH1 ARG A 36 -16.044 -2.415 -2.873 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.227 -4.180 -4.090 1.00 0.00 N ATOM 0 H ARG A 36 -10.137 0.949 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.583 -1.529 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.723 -0.067 -1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.084 -0.787 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.668 -3.063 -1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.031 -2.065 0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.193 -2.581 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.056 -1.297 -1.655 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.204 -3.911 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.927 -1.717 -2.139 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.912 -2.453 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.480 -4.844 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.098 -4.212 -4.620 1.00 0.00 H new ATOM 524 N GLU A 37 -10.356 -1.673 -4.388 1.00 0.00 N ATOM 525 CA GLU A 37 -10.218 -2.492 -5.587 1.00 0.00 C ATOM 526 C GLU A 37 -8.748 -2.715 -5.929 1.00 0.00 C ATOM 527 O GLU A 37 -8.379 -3.751 -6.482 1.00 0.00 O ATOM 528 CB GLU A 37 -10.933 -1.830 -6.766 1.00 0.00 C ATOM 529 CG GLU A 37 -12.437 -2.046 -6.764 1.00 0.00 C ATOM 530 CD GLU A 37 -13.164 -1.097 -7.696 1.00 0.00 C ATOM 531 OE1 GLU A 37 -13.207 0.115 -7.395 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.691 -1.565 -8.728 1.00 0.00 O ATOM 0 H GLU A 37 -10.865 -0.800 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.677 -3.461 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.728 -0.760 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.520 -2.220 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.653 -3.073 -7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.817 -1.917 -5.751 1.00 0.00 H new ATOM 539 N LYS A 38 -7.912 -1.736 -5.599 1.00 0.00 N ATOM 540 CA LYS A 38 -6.482 -1.827 -5.871 1.00 0.00 C ATOM 541 C LYS A 38 -5.845 -2.956 -5.068 1.00 0.00 C ATOM 542 O LYS A 38 -5.279 -3.891 -5.634 1.00 0.00 O ATOM 543 CB LYS A 38 -5.794 -0.501 -5.545 1.00 0.00 C ATOM 544 CG LYS A 38 -4.303 -0.500 -5.841 1.00 0.00 C ATOM 545 CD LYS A 38 -3.795 0.899 -6.148 1.00 0.00 C ATOM 546 CE LYS A 38 -2.276 0.956 -6.132 1.00 0.00 C ATOM 547 NZ LYS A 38 -1.744 1.866 -7.185 1.00 0.00 N ATOM 0 H LYS A 38 -8.200 -0.870 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.353 -2.044 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.270 0.296 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.947 -0.272 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.761 -0.905 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.099 -1.156 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.162 1.214 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.194 1.601 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.936 1.295 -5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.873 -0.046 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.705 1.877 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.048 1.529 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.108 2.828 -7.029 1.00 0.00 H new ATOM 561 N LEU A 39 -5.940 -2.860 -3.745 1.00 0.00 N ATOM 562 CA LEU A 39 -5.373 -3.873 -2.862 1.00 0.00 C ATOM 563 C LEU A 39 -5.975 -5.245 -3.147 1.00 0.00 C ATOM 564 O LEU A 39 -5.314 -6.270 -2.984 1.00 0.00 O ATOM 565 CB LEU A 39 -5.608 -3.493 -1.399 1.00 0.00 C ATOM 566 CG LEU A 39 -5.010 -2.151 -0.975 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.535 -1.740 0.392 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.491 -2.227 -0.963 1.00 0.00 C ATOM 0 H LEU A 39 -6.404 -2.091 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.300 -3.923 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.682 -3.470 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.192 -4.276 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.312 -1.395 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.098 -0.783 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.620 -1.646 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.263 -2.496 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.081 -1.264 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.171 -2.996 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.131 -2.476 -1.961 1.00 0.00 H new ATOM 580 N ARG A 40 -7.234 -5.256 -3.572 1.00 0.00 N ATOM 581 CA ARG A 40 -7.926 -6.503 -3.880 1.00 0.00 C ATOM 582 C ARG A 40 -7.226 -7.256 -4.996 1.00 0.00 C ATOM 583 O ARG A 40 -6.787 -8.391 -4.814 1.00 0.00 O ATOM 584 CB ARG A 40 -9.379 -6.223 -4.268 1.00 0.00 C ATOM 585 CG ARG A 40 -10.321 -7.378 -3.974 1.00 0.00 C ATOM 586 CD ARG A 40 -11.655 -7.203 -4.683 1.00 0.00 C ATOM 587 NE ARG A 40 -11.509 -7.219 -6.136 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.430 -6.755 -6.978 1.00 0.00 C ATOM 589 NH1 ARG A 40 -13.562 -6.241 -6.516 1.00 0.00 N ATOM 590 NH2 ARG A 40 -12.216 -6.807 -8.286 1.00 0.00 N ATOM 0 H ARG A 40 -7.796 -4.416 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.910 -7.126 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.725 -5.338 -3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.424 -5.991 -5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.860 -8.314 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.486 -7.450 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.335 -7.999 -4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.109 -6.261 -4.375 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.652 -7.608 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.731 -6.200 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.264 -5.887 -7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.347 -7.202 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.921 -6.452 -8.933 1.00 0.00 H new ATOM 604 N GLN A 41 -7.129 -6.623 -6.152 1.00 0.00 N ATOM 605 CA GLN A 41 -6.485 -7.243 -7.298 1.00 0.00 C ATOM 606 C GLN A 41 -4.968 -7.244 -7.140 1.00 0.00 C ATOM 607 O GLN A 41 -4.299 -8.216 -7.488 1.00 0.00 O ATOM 608 CB GLN A 41 -6.880 -6.523 -8.588 1.00 0.00 C ATOM 609 CG GLN A 41 -6.510 -5.049 -8.600 1.00 0.00 C ATOM 610 CD GLN A 41 -5.193 -4.784 -9.302 1.00 0.00 C ATOM 611 OE1 GLN A 41 -4.937 -5.311 -10.385 1.00 0.00 O ATOM 612 NE2 GLN A 41 -4.349 -3.963 -8.688 1.00 0.00 N ATOM 0 H GLN A 41 -7.487 -5.683 -6.322 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.823 -8.278 -7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.398 -7.017 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.956 -6.620 -8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.301 -4.484 -9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.450 -4.685 -7.574 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.602 -3.548 -7.791 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.447 -3.747 -9.113 1.00 0.00 H new ATOM 621 N ASP A 42 -4.430 -6.149 -6.613 1.00 0.00 N ATOM 622 CA ASP A 42 -2.990 -6.025 -6.411 1.00 0.00 C ATOM 623 C ASP A 42 -2.471 -7.131 -5.498 1.00 0.00 C ATOM 624 O ASP A 42 -1.529 -7.844 -5.843 1.00 0.00 O ATOM 625 CB ASP A 42 -2.654 -4.657 -5.814 1.00 0.00 C ATOM 626 CG ASP A 42 -1.162 -4.391 -5.785 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.424 -5.206 -5.193 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.730 -3.366 -6.354 1.00 0.00 O ATOM 0 H ASP A 42 -4.969 -5.335 -6.318 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.503 -6.121 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.148 -3.878 -6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.051 -4.598 -4.800 1.00 0.00 H new ATOM 633 N LEU A 43 -3.092 -7.267 -4.330 1.00 0.00 N ATOM 634 CA LEU A 43 -2.691 -8.287 -3.367 1.00 0.00 C ATOM 635 C LEU A 43 -3.406 -9.611 -3.634 1.00 0.00 C ATOM 636 O LEU A 43 -2.968 -10.664 -3.174 1.00 0.00 O ATOM 637 CB LEU A 43 -2.987 -7.815 -1.941 1.00 0.00 C ATOM 638 CG LEU A 43 -2.348 -6.479 -1.557 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.199 -5.758 -0.525 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.938 -6.698 -1.031 1.00 0.00 C ATOM 0 H LEU A 43 -3.873 -6.685 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.619 -8.449 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.067 -7.733 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.644 -8.579 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.290 -5.854 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.729 -4.810 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.190 -5.570 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.289 -6.376 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.497 -5.738 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.974 -7.340 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.332 -7.173 -1.802 1.00 0.00 H new ATOM 652 N GLU A 44 -4.508 -9.550 -4.378 1.00 0.00 N ATOM 653 CA GLU A 44 -5.279 -10.746 -4.702 1.00 0.00 C ATOM 654 C GLU A 44 -5.873 -11.366 -3.442 1.00 0.00 C ATOM 655 O GLU A 44 -5.342 -12.339 -2.907 1.00 0.00 O ATOM 656 CB GLU A 44 -4.399 -11.769 -5.425 1.00 0.00 C ATOM 657 CG GLU A 44 -3.727 -11.220 -6.671 1.00 0.00 C ATOM 658 CD GLU A 44 -3.141 -12.311 -7.547 1.00 0.00 C ATOM 659 OE1 GLU A 44 -3.925 -13.037 -8.194 1.00 0.00 O ATOM 660 OE2 GLU A 44 -1.900 -12.441 -7.582 1.00 0.00 O ATOM 0 H GLU A 44 -4.886 -8.686 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.096 -10.454 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.633 -12.127 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.008 -12.630 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.453 -10.647 -7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.936 -10.530 -6.378 1.00 0.00 H new ATOM 667 N ALA A 45 -6.978 -10.795 -2.973 1.00 0.00 N ATOM 668 CA ALA A 45 -7.645 -11.290 -1.776 1.00 0.00 C ATOM 669 C ALA A 45 -9.045 -11.802 -2.097 1.00 0.00 C ATOM 670 O ALA A 45 -9.612 -11.473 -3.139 1.00 0.00 O ATOM 671 CB ALA A 45 -7.713 -10.196 -0.720 1.00 0.00 C ATOM 0 H ALA A 45 -7.430 -9.989 -3.405 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.062 -12.124 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.214 -10.579 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.703 -9.879 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.271 -9.346 -1.112 1.00 0.00 H new ATOM 677 N GLU A 46 -9.597 -12.608 -1.196 1.00 0.00 N ATOM 678 CA GLU A 46 -10.930 -13.165 -1.384 1.00 0.00 C ATOM 679 C GLU A 46 -12.001 -12.109 -1.125 1.00 0.00 C ATOM 680 O GLU A 46 -12.958 -11.979 -1.889 1.00 0.00 O ATOM 681 CB GLU A 46 -11.143 -14.362 -0.455 1.00 0.00 C ATOM 682 CG GLU A 46 -10.726 -15.689 -1.068 1.00 0.00 C ATOM 683 CD GLU A 46 -11.696 -16.809 -0.748 1.00 0.00 C ATOM 684 OE1 GLU A 46 -12.796 -16.829 -1.339 1.00 0.00 O ATOM 685 OE2 GLU A 46 -11.355 -17.667 0.094 1.00 0.00 O ATOM 0 H GLU A 46 -9.141 -12.890 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.015 -13.498 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.579 -14.203 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.196 -14.414 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.650 -15.577 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.734 -15.957 -0.704 1.00 0.00 H new ATOM 692 N HIS A 47 -11.833 -11.358 -0.041 1.00 0.00 N ATOM 693 CA HIS A 47 -12.784 -10.314 0.319 1.00 0.00 C ATOM 694 C HIS A 47 -12.080 -9.158 1.023 1.00 0.00 C ATOM 695 O HIS A 47 -11.198 -9.370 1.855 1.00 0.00 O ATOM 696 CB HIS A 47 -13.881 -10.883 1.222 1.00 0.00 C ATOM 697 CG HIS A 47 -14.709 -11.941 0.559 1.00 0.00 C ATOM 698 ND1 HIS A 47 -14.795 -13.235 1.030 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.492 -11.891 -0.544 1.00 0.00 C ATOM 700 CE1 HIS A 47 -15.593 -13.935 0.244 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.030 -13.143 -0.718 1.00 0.00 N ATOM 0 H HIS A 47 -11.047 -11.453 0.603 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.237 -9.937 -0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.423 -11.300 2.119 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.533 -10.071 1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.662 -11.028 -1.170 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.845 -14.978 0.367 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -16.664 -13.416 -1.469 1.00 0.00 H new ATOM 710 N VAL A 48 -12.475 -7.936 0.682 1.00 0.00 N ATOM 711 CA VAL A 48 -11.881 -6.747 1.281 1.00 0.00 C ATOM 712 C VAL A 48 -12.949 -5.725 1.654 1.00 0.00 C ATOM 713 O VAL A 48 -14.044 -5.723 1.092 1.00 0.00 O ATOM 714 CB VAL A 48 -10.866 -6.086 0.329 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.676 -7.003 0.096 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.532 -5.720 -0.989 1.00 0.00 C ATOM 0 H VAL A 48 -13.203 -7.743 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.364 -7.074 2.183 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.503 -5.170 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.970 -6.519 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.185 -7.211 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.019 -7.938 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.800 -5.254 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.925 -6.621 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.349 -5.022 -0.803 1.00 0.00 H new ATOM 726 N GLU A 49 -12.622 -4.857 2.607 1.00 0.00 N ATOM 727 CA GLU A 49 -13.554 -3.829 3.055 1.00 0.00 C ATOM 728 C GLU A 49 -12.829 -2.509 3.299 1.00 0.00 C ATOM 729 O GLU A 49 -11.921 -2.431 4.127 1.00 0.00 O ATOM 730 CB GLU A 49 -14.263 -4.278 4.335 1.00 0.00 C ATOM 731 CG GLU A 49 -15.351 -5.313 4.096 1.00 0.00 C ATOM 732 CD GLU A 49 -16.051 -5.728 5.374 1.00 0.00 C ATOM 733 OE1 GLU A 49 -15.574 -6.678 6.031 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.076 -5.105 5.719 1.00 0.00 O ATOM 0 H GLU A 49 -11.720 -4.845 3.083 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.295 -3.677 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.526 -4.690 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.702 -3.407 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.085 -4.909 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.913 -6.192 3.624 1.00 0.00 H new ATOM 741 N VAL A 50 -13.236 -1.474 2.572 1.00 0.00 N ATOM 742 CA VAL A 50 -12.625 -0.158 2.709 1.00 0.00 C ATOM 743 C VAL A 50 -13.559 0.809 3.431 1.00 0.00 C ATOM 744 O VAL A 50 -14.781 0.714 3.311 1.00 0.00 O ATOM 745 CB VAL A 50 -12.248 0.431 1.335 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.486 0.618 0.471 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.502 1.748 1.502 1.00 0.00 C ATOM 0 H VAL A 50 -13.986 -1.521 1.882 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.718 -0.288 3.299 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.587 -0.274 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.197 1.035 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.973 -0.345 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.177 1.299 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.245 2.147 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.136 2.461 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.590 1.580 2.075 1.00 0.00 H new ATOM 757 N GLU A 51 -12.975 1.739 4.180 1.00 0.00 N ATOM 758 CA GLU A 51 -13.754 2.724 4.922 1.00 0.00 C ATOM 759 C GLU A 51 -13.149 4.115 4.780 1.00 0.00 C ATOM 760 O GLU A 51 -11.971 4.260 4.452 1.00 0.00 O ATOM 761 CB GLU A 51 -13.832 2.336 6.400 1.00 0.00 C ATOM 762 CG GLU A 51 -15.080 2.852 7.099 1.00 0.00 C ATOM 763 CD GLU A 51 -16.358 2.363 6.445 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.530 1.132 6.324 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.187 3.212 6.054 1.00 0.00 O ATOM 0 H GLU A 51 -11.965 1.831 4.289 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.761 2.742 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.801 1.250 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.952 2.721 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.065 2.535 8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.069 3.942 7.097 1.00 0.00 H new ATOM 772 N ASP A 52 -13.963 5.134 5.025 1.00 0.00 N ATOM 773 CA ASP A 52 -13.512 6.516 4.921 1.00 0.00 C ATOM 774 C ASP A 52 -14.278 7.410 5.891 1.00 0.00 C ATOM 775 O ASP A 52 -15.502 7.521 5.814 1.00 0.00 O ATOM 776 CB ASP A 52 -13.688 7.017 3.486 1.00 0.00 C ATOM 777 CG ASP A 52 -13.312 8.478 3.327 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.216 8.862 3.785 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.113 9.237 2.742 1.00 0.00 O ATOM 0 H ASP A 52 -14.940 5.029 5.297 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.455 6.556 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.075 6.413 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.725 6.877 3.181 1.00 0.00 H new ATOM 904 N SER A 61 -8.913 10.705 6.733 1.00 0.00 N ATOM 905 CA SER A 61 -8.495 9.378 7.172 1.00 0.00 C ATOM 906 C SER A 61 -9.078 8.296 6.269 1.00 0.00 C ATOM 907 O SER A 61 -10.049 8.531 5.550 1.00 0.00 O ATOM 908 CB SER A 61 -8.928 9.137 8.619 1.00 0.00 C ATOM 909 OG SER A 61 -8.830 10.325 9.386 1.00 0.00 O ATOM 0 HA SER A 61 -7.408 9.329 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.955 8.772 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.305 8.361 9.064 1.00 0.00 H new ATOM 0 HG SER A 61 -9.015 11.099 8.815 1.00 0.00 H new ATOM 915 N PHE A 62 -8.477 7.112 6.310 1.00 0.00 N ATOM 916 CA PHE A 62 -8.936 5.993 5.495 1.00 0.00 C ATOM 917 C PHE A 62 -8.649 4.664 6.186 1.00 0.00 C ATOM 918 O PHE A 62 -7.856 4.599 7.125 1.00 0.00 O ATOM 919 CB PHE A 62 -8.259 6.022 4.123 1.00 0.00 C ATOM 920 CG PHE A 62 -8.914 6.959 3.149 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.110 6.619 2.537 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.335 8.181 2.846 1.00 0.00 C ATOM 923 CE1 PHE A 62 -10.714 7.478 1.639 1.00 0.00 C ATOM 924 CE2 PHE A 62 -8.934 9.045 1.949 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.125 8.693 1.345 1.00 0.00 C ATOM 0 H PHE A 62 -7.671 6.902 6.899 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.014 6.090 5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.216 6.312 4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.262 5.016 3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.575 5.671 2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.404 8.462 3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.645 7.200 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.471 9.994 1.721 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.595 9.366 0.644 1.00 0.00 H new ATOM 935 N ARG A 63 -9.300 3.605 5.715 1.00 0.00 N ATOM 936 CA ARG A 63 -9.114 2.277 6.289 1.00 0.00 C ATOM 937 C ARG A 63 -9.154 1.206 5.204 1.00 0.00 C ATOM 938 O ARG A 63 -10.036 1.210 4.345 1.00 0.00 O ATOM 939 CB ARG A 63 -10.190 1.996 7.339 1.00 0.00 C ATOM 940 CG ARG A 63 -9.935 0.735 8.148 1.00 0.00 C ATOM 941 CD ARG A 63 -10.284 0.932 9.615 1.00 0.00 C ATOM 942 NE ARG A 63 -11.666 1.373 9.795 1.00 0.00 N ATOM 943 CZ ARG A 63 -12.192 1.696 10.974 1.00 0.00 C ATOM 944 NH1 ARG A 63 -11.458 1.631 12.077 1.00 0.00 N ATOM 945 NH2 ARG A 63 -13.457 2.087 11.050 1.00 0.00 N ATOM 0 H ARG A 63 -9.960 3.641 4.938 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.135 2.249 6.767 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.255 2.846 8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.157 1.910 6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.525 -0.086 7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.887 0.450 8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.129 -0.003 10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.609 1.667 10.053 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.262 1.437 8.969 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.484 1.332 12.025 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.867 1.880 12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.026 2.140 10.205 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.861 2.335 11.953 1.00 0.00 H new ATOM 959 N VAL A 64 -8.192 0.290 5.248 1.00 0.00 N ATOM 960 CA VAL A 64 -8.117 -0.788 4.268 1.00 0.00 C ATOM 961 C VAL A 64 -8.107 -2.152 4.950 1.00 0.00 C ATOM 962 O VAL A 64 -7.339 -2.385 5.884 1.00 0.00 O ATOM 963 CB VAL A 64 -6.861 -0.659 3.386 1.00 0.00 C ATOM 964 CG1 VAL A 64 -6.937 0.594 2.527 1.00 0.00 C ATOM 965 CG2 VAL A 64 -5.605 -0.650 4.244 1.00 0.00 C ATOM 0 H VAL A 64 -7.454 0.272 5.952 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.004 -0.706 3.639 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.815 -1.523 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.041 0.668 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.816 0.542 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.009 1.472 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.728 -0.558 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.641 0.194 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.545 -1.579 4.811 1.00 0.00 H new ATOM 975 N LEU A 65 -8.963 -3.051 4.476 1.00 0.00 N ATOM 976 CA LEU A 65 -9.054 -4.393 5.038 1.00 0.00 C ATOM 977 C LEU A 65 -8.830 -5.450 3.961 1.00 0.00 C ATOM 978 O LEU A 65 -9.330 -5.326 2.843 1.00 0.00 O ATOM 979 CB LEU A 65 -10.417 -4.602 5.699 1.00 0.00 C ATOM 980 CG LEU A 65 -10.496 -5.786 6.665 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.400 -7.101 5.907 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.398 -5.691 7.714 1.00 0.00 C ATOM 0 H LEU A 65 -9.604 -2.874 3.703 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.274 -4.497 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.684 -3.694 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.165 -4.740 4.918 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.460 -5.753 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.458 -7.932 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.222 -7.171 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.451 -7.144 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.469 -6.541 8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.425 -5.698 7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.513 -4.765 8.278 1.00 0.00 H new ATOM 994 N VAL A 66 -8.076 -6.489 4.305 1.00 0.00 N ATOM 995 CA VAL A 66 -7.787 -7.567 3.367 1.00 0.00 C ATOM 996 C VAL A 66 -7.830 -8.924 4.058 1.00 0.00 C ATOM 997 O VAL A 66 -7.330 -9.082 5.172 1.00 0.00 O ATOM 998 CB VAL A 66 -6.407 -7.382 2.708 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.210 -8.393 1.589 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.249 -5.962 2.187 1.00 0.00 C ATOM 0 H VAL A 66 -7.654 -6.607 5.226 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.557 -7.531 2.597 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.639 -7.555 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.230 -8.247 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.275 -9.402 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.984 -8.255 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.268 -5.851 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.023 -5.757 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.342 -5.258 3.014 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.430 -9.903 3.389 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.538 -11.250 3.938 1.00 0.00 C ATOM 1012 C VAL A 67 -8.244 -12.301 2.873 1.00 0.00 C ATOM 1013 O VAL A 67 -8.929 -12.373 1.852 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.939 -11.507 4.523 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.981 -12.843 5.249 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.346 -10.375 5.452 1.00 0.00 C ATOM 0 H VAL A 67 -8.849 -9.789 2.466 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.800 -11.327 4.736 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.653 -11.546 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.980 -13.005 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.738 -13.644 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.255 -12.838 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.339 -10.575 5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.630 -10.301 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.362 -9.437 4.897 1.00 0.00 H new ATOM 1026 N SER A 68 -7.222 -13.115 3.116 1.00 0.00 N ATOM 1027 CA SER A 68 -6.838 -14.162 2.176 1.00 0.00 C ATOM 1028 C SER A 68 -5.680 -14.990 2.722 1.00 0.00 C ATOM 1029 O SER A 68 -5.133 -14.688 3.784 1.00 0.00 O ATOM 1030 CB SER A 68 -6.450 -13.550 0.829 1.00 0.00 C ATOM 1031 OG SER A 68 -6.876 -14.369 -0.246 1.00 0.00 O ATOM 0 H SER A 68 -6.645 -13.070 3.956 1.00 0.00 H new ATOM 0 HA SER A 68 -7.696 -14.820 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.896 -12.560 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.369 -13.419 0.784 1.00 0.00 H new ATOM 0 HG SER A 68 -6.363 -14.145 -1.051 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.310 -16.036 1.990 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.218 -16.909 2.398 1.00 0.00 C ATOM 1039 C ALA A 69 -2.884 -16.435 1.825 1.00 0.00 C ATOM 1040 O ALA A 69 -1.821 -16.774 2.344 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.498 -18.341 1.967 1.00 0.00 C ATOM 0 H ALA A 69 -5.752 -16.299 1.109 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.148 -16.873 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.674 -18.982 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.422 -18.687 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.599 -18.381 0.882 1.00 0.00 H new ATOM 1047 N LYS A 70 -2.946 -15.649 0.753 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.741 -15.130 0.114 1.00 0.00 C ATOM 1049 C LYS A 70 -0.861 -14.395 1.121 1.00 0.00 C ATOM 1050 O LYS A 70 0.362 -14.369 0.987 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.113 -14.191 -1.035 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.005 -14.020 -2.063 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.583 -12.566 -2.196 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.358 -12.182 -3.649 1.00 0.00 C ATOM 1055 NZ LYS A 70 0.404 -13.227 -4.388 1.00 0.00 N ATOM 0 H LYS A 70 -3.817 -15.358 0.309 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.179 -15.975 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.004 -14.574 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.372 -13.214 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.145 -14.624 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.345 -14.390 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.349 -11.923 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.332 -12.398 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.320 -12.022 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.183 -11.237 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.950 -12.782 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.053 -13.710 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.259 -13.919 -4.792 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.493 -13.801 2.129 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.766 -13.067 3.159 1.00 0.00 C ATOM 1071 C PHE A 71 -0.071 -14.024 4.123 1.00 0.00 C ATOM 1072 O PHE A 71 0.984 -13.708 4.674 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.720 -12.154 3.930 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.846 -10.780 3.336 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.929 -9.789 3.648 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -2.882 -10.480 2.465 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.043 -8.524 3.103 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.001 -9.216 1.917 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.080 -8.238 2.237 1.00 0.00 C ATOM 0 H PHE A 71 -2.505 -13.814 2.254 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.006 -12.459 2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.706 -12.618 3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.373 -12.066 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.116 -10.008 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.604 -11.242 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.322 -7.760 3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.813 -8.994 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.171 -7.250 1.810 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.668 -15.196 4.321 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.106 -16.197 5.217 1.00 0.00 C ATOM 1091 C GLU A 72 1.271 -16.646 4.738 1.00 0.00 C ATOM 1092 O GLU A 72 2.181 -16.857 5.540 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.047 -17.401 5.316 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.854 -17.437 6.602 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.056 -17.971 7.776 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.996 -19.208 7.940 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -0.492 -17.152 8.532 1.00 0.00 O ATOM 0 H GLU A 72 -1.541 -15.474 3.872 1.00 0.00 H new ATOM 0 HA GLU A 72 0.006 -15.748 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.731 -17.388 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.461 -18.317 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.206 -16.432 6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.737 -18.058 6.455 1.00 0.00 H new ATOM 1104 N GLY A 73 1.416 -16.792 3.424 1.00 0.00 N ATOM 1105 CA GLY A 73 2.685 -17.215 2.861 1.00 0.00 C ATOM 1106 C GLY A 73 3.813 -16.256 3.187 1.00 0.00 C ATOM 1107 O GLY A 73 4.860 -16.666 3.689 1.00 0.00 O ATOM 0 H GLY A 73 0.678 -16.625 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.934 -18.206 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.588 -17.302 1.779 1.00 0.00 H new ATOM 1111 N LYS A 74 3.600 -14.976 2.900 1.00 0.00 N ATOM 1112 CA LYS A 74 4.607 -13.956 3.165 1.00 0.00 C ATOM 1113 C LYS A 74 4.693 -13.650 4.659 1.00 0.00 C ATOM 1114 O LYS A 74 3.732 -13.861 5.399 1.00 0.00 O ATOM 1115 CB LYS A 74 4.286 -12.678 2.388 1.00 0.00 C ATOM 1116 CG LYS A 74 4.409 -12.834 0.882 1.00 0.00 C ATOM 1117 CD LYS A 74 3.377 -11.992 0.149 1.00 0.00 C ATOM 1118 CE LYS A 74 3.832 -11.657 -1.262 1.00 0.00 C ATOM 1119 NZ LYS A 74 2.684 -11.355 -2.160 1.00 0.00 N ATOM 0 H LYS A 74 2.739 -14.621 2.484 1.00 0.00 H new ATOM 0 HA LYS A 74 5.572 -14.340 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.272 -12.361 2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.956 -11.884 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.410 -12.542 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.283 -13.883 0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.430 -12.529 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.198 -11.071 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.505 -10.800 -1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.400 -12.494 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.992 -10.705 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.336 -12.237 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.920 -10.912 -1.610 1.00 0.00 H new ATOM 1133 N PRO A 75 5.849 -13.146 5.121 1.00 0.00 N ATOM 1134 CA PRO A 75 6.056 -12.811 6.534 1.00 0.00 C ATOM 1135 C PRO A 75 5.200 -11.629 6.978 1.00 0.00 C ATOM 1136 O PRO A 75 4.625 -10.921 6.153 1.00 0.00 O ATOM 1137 CB PRO A 75 7.543 -12.452 6.605 1.00 0.00 C ATOM 1138 CG PRO A 75 7.900 -12.034 5.222 1.00 0.00 C ATOM 1139 CD PRO A 75 7.045 -12.863 4.306 1.00 0.00 C ATOM 0 HA PRO A 75 5.773 -13.632 7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.722 -11.649 7.320 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.141 -13.305 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.712 -10.970 5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.959 -12.201 5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.791 -12.323 3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.551 -13.779 4.003 1.00 0.00 H new ATOM 1147 N LEU A 76 5.122 -11.423 8.290 1.00 0.00 N ATOM 1148 CA LEU A 76 4.336 -10.326 8.846 1.00 0.00 C ATOM 1149 C LEU A 76 4.831 -8.981 8.324 1.00 0.00 C ATOM 1150 O LEU A 76 4.036 -8.106 7.983 1.00 0.00 O ATOM 1151 CB LEU A 76 4.401 -10.350 10.374 1.00 0.00 C ATOM 1152 CG LEU A 76 3.576 -9.268 11.074 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.103 -9.642 11.082 1.00 0.00 C ATOM 1154 CD2 LEU A 76 4.080 -9.048 12.492 1.00 0.00 C ATOM 0 H LEU A 76 5.593 -12.000 8.987 1.00 0.00 H new ATOM 0 HA LEU A 76 3.301 -10.457 8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.062 -11.326 10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.442 -10.247 10.680 1.00 0.00 H new ATOM 0 HG LEU A 76 3.690 -8.336 10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.532 -8.861 11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.749 -9.748 10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.970 -10.586 11.611 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.482 -8.275 12.975 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.997 -9.977 13.056 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.123 -8.734 12.463 1.00 0.00 H new ATOM 1166 N LEU A 77 6.149 -8.823 8.266 1.00 0.00 N ATOM 1167 CA LEU A 77 6.750 -7.583 7.788 1.00 0.00 C ATOM 1168 C LEU A 77 6.373 -7.321 6.333 1.00 0.00 C ATOM 1169 O LEU A 77 6.262 -6.171 5.908 1.00 0.00 O ATOM 1170 CB LEU A 77 8.273 -7.639 7.930 1.00 0.00 C ATOM 1171 CG LEU A 77 8.915 -8.962 7.504 1.00 0.00 C ATOM 1172 CD1 LEU A 77 10.187 -8.708 6.710 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.208 -9.828 8.720 1.00 0.00 C ATOM 0 H LEU A 77 6.821 -9.538 8.544 1.00 0.00 H new ATOM 0 HA LEU A 77 6.366 -6.765 8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.708 -6.834 7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.533 -7.445 8.971 1.00 0.00 H new ATOM 0 HG LEU A 77 8.212 -9.495 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.629 -9.660 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.950 -8.128 5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.896 -8.154 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.664 -10.764 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.892 -9.301 9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.278 -10.040 9.248 1.00 0.00 H new ATOM 1185 N GLN A 78 6.178 -8.394 5.574 1.00 0.00 N ATOM 1186 CA GLN A 78 5.815 -8.279 4.167 1.00 0.00 C ATOM 1187 C GLN A 78 4.354 -7.865 4.013 1.00 0.00 C ATOM 1188 O GLN A 78 4.004 -7.115 3.101 1.00 0.00 O ATOM 1189 CB GLN A 78 6.060 -9.605 3.444 1.00 0.00 C ATOM 1190 CG GLN A 78 7.409 -9.675 2.746 1.00 0.00 C ATOM 1191 CD GLN A 78 7.403 -8.990 1.395 1.00 0.00 C ATOM 1192 OE1 GLN A 78 8.198 -8.084 1.141 1.00 0.00 O ATOM 1193 NE2 GLN A 78 6.503 -9.420 0.518 1.00 0.00 N ATOM 0 H GLN A 78 6.265 -9.353 5.910 1.00 0.00 H new ATOM 0 HA GLN A 78 6.442 -7.508 3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.989 -10.421 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.271 -9.760 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.166 -9.213 3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.694 -10.719 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.864 -10.173 0.771 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.451 -8.997 -0.409 1.00 0.00 H new ATOM 1202 N ARG A 79 3.506 -8.357 4.910 1.00 0.00 N ATOM 1203 CA ARG A 79 2.084 -8.036 4.873 1.00 0.00 C ATOM 1204 C ARG A 79 1.860 -6.534 5.017 1.00 0.00 C ATOM 1205 O ARG A 79 1.188 -5.913 4.194 1.00 0.00 O ATOM 1206 CB ARG A 79 1.340 -8.783 5.981 1.00 0.00 C ATOM 1207 CG ARG A 79 1.675 -10.264 6.045 1.00 0.00 C ATOM 1208 CD ARG A 79 0.498 -11.081 6.559 1.00 0.00 C ATOM 1209 NE ARG A 79 0.700 -11.525 7.936 1.00 0.00 N ATOM 1210 CZ ARG A 79 -0.010 -12.491 8.515 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.967 -13.117 7.840 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.237 -12.833 9.771 1.00 0.00 N ATOM 0 H ARG A 79 3.779 -8.979 5.671 1.00 0.00 H new ATOM 0 HA ARG A 79 1.692 -8.352 3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.577 -8.323 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.267 -8.668 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.959 -10.617 5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.536 -10.415 6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.411 -10.483 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.351 -11.949 5.916 1.00 0.00 H new ATOM 0 HE ARG A 79 1.428 -11.068 8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.161 -12.859 6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.508 -13.856 8.289 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.971 -12.356 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.307 -13.573 10.214 1.00 0.00 H new ATOM 1226 N HIS A 80 2.429 -5.955 6.071 1.00 0.00 N ATOM 1227 CA HIS A 80 2.292 -4.525 6.323 1.00 0.00 C ATOM 1228 C HIS A 80 2.964 -3.711 5.222 1.00 0.00 C ATOM 1229 O HIS A 80 2.477 -2.648 4.838 1.00 0.00 O ATOM 1230 CB HIS A 80 2.899 -4.167 7.681 1.00 0.00 C ATOM 1231 CG HIS A 80 1.993 -4.459 8.837 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.026 -3.749 10.018 1.00 0.00 N ATOM 1233 CD2 HIS A 80 1.025 -5.395 8.990 1.00 0.00 C ATOM 1234 CE1 HIS A 80 1.119 -4.234 10.847 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.497 -5.233 10.247 1.00 0.00 N ATOM 0 H HIS A 80 2.988 -6.454 6.763 1.00 0.00 H new ATOM 0 HA HIS A 80 1.229 -4.282 6.331 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.830 -4.719 7.811 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.154 -3.107 7.688 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.725 -6.131 8.259 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.920 -3.875 11.846 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.253 -5.793 10.652 1.00 0.00 H new ATOM 1244 N ARG A 81 4.085 -4.217 4.718 1.00 0.00 N ATOM 1245 CA ARG A 81 4.823 -3.537 3.661 1.00 0.00 C ATOM 1246 C ARG A 81 4.100 -3.664 2.324 1.00 0.00 C ATOM 1247 O ARG A 81 4.168 -2.769 1.482 1.00 0.00 O ATOM 1248 CB ARG A 81 6.237 -4.111 3.547 1.00 0.00 C ATOM 1249 CG ARG A 81 7.262 -3.379 4.397 1.00 0.00 C ATOM 1250 CD ARG A 81 8.633 -4.027 4.300 1.00 0.00 C ATOM 1251 NE ARG A 81 9.166 -3.977 2.940 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.452 -4.144 2.642 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.340 -4.371 3.602 1.00 0.00 N ATOM 1254 NH2 ARG A 81 10.853 -4.084 1.378 1.00 0.00 N ATOM 0 H ARG A 81 4.502 -5.096 5.025 1.00 0.00 H new ATOM 0 HA ARG A 81 4.887 -2.480 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.218 -5.161 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.551 -4.076 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.327 -2.339 4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.935 -3.372 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.321 -3.523 4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.568 -5.065 4.626 1.00 0.00 H new ATOM 0 HE ARG A 81 8.514 -3.804 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.038 -4.418 4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.324 -4.498 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.175 -3.910 0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.839 -4.212 1.149 1.00 0.00 H new ATOM 1268 N LEU A 82 3.409 -4.784 2.135 1.00 0.00 N ATOM 1269 CA LEU A 82 2.674 -5.028 0.900 1.00 0.00 C ATOM 1270 C LEU A 82 1.611 -3.956 0.678 1.00 0.00 C ATOM 1271 O LEU A 82 1.405 -3.496 -0.445 1.00 0.00 O ATOM 1272 CB LEU A 82 2.020 -6.412 0.938 1.00 0.00 C ATOM 1273 CG LEU A 82 2.866 -7.542 0.348 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.104 -8.858 0.394 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.274 -7.211 -1.079 1.00 0.00 C ATOM 0 H LEU A 82 3.343 -5.536 2.821 1.00 0.00 H new ATOM 0 HA LEU A 82 3.381 -4.989 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.784 -6.658 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.075 -6.366 0.398 1.00 0.00 H new ATOM 0 HG LEU A 82 3.769 -7.647 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.721 -9.651 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.860 -9.101 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.184 -8.766 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.875 -8.025 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.382 -7.080 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.858 -6.291 -1.086 1.00 0.00 H new ATOM 1287 N VAL A 83 0.938 -3.565 1.754 1.00 0.00 N ATOM 1288 CA VAL A 83 -0.103 -2.547 1.677 1.00 0.00 C ATOM 1289 C VAL A 83 0.499 -1.155 1.516 1.00 0.00 C ATOM 1290 O VAL A 83 -0.059 -0.303 0.826 1.00 0.00 O ATOM 1291 CB VAL A 83 -1.000 -2.563 2.928 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.183 -1.624 2.753 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.474 -3.978 3.227 1.00 0.00 C ATOM 0 H VAL A 83 1.095 -3.938 2.690 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.709 -2.782 0.802 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.412 -2.213 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.804 -1.650 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.821 -0.609 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.773 -1.939 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.107 -3.970 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.044 -4.358 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.612 -4.621 3.402 1.00 0.00 H new ATOM 1303 N ASN A 84 1.642 -0.933 2.157 1.00 0.00 N ATOM 1304 CA ASN A 84 2.321 0.356 2.084 1.00 0.00 C ATOM 1305 C ASN A 84 2.954 0.562 0.713 1.00 0.00 C ATOM 1306 O ASN A 84 2.826 1.629 0.112 1.00 0.00 O ATOM 1307 CB ASN A 84 3.391 0.453 3.173 1.00 0.00 C ATOM 1308 CG ASN A 84 2.800 0.711 4.545 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.993 1.624 4.725 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.198 -0.095 5.522 1.00 0.00 N ATOM 0 H ASN A 84 2.117 -1.628 2.732 1.00 0.00 H new ATOM 0 HA ASN A 84 1.579 1.139 2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.966 -0.473 3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.087 1.254 2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.833 0.030 6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.868 -0.839 5.328 1.00 0.00 H new ATOM 1317 N GLU A 85 3.639 -0.466 0.222 1.00 0.00 N ATOM 1318 CA GLU A 85 4.294 -0.398 -1.079 1.00 0.00 C ATOM 1319 C GLU A 85 3.275 -0.157 -2.189 1.00 0.00 C ATOM 1320 O GLU A 85 3.564 0.521 -3.174 1.00 0.00 O ATOM 1321 CB GLU A 85 5.068 -1.689 -1.352 1.00 0.00 C ATOM 1322 CG GLU A 85 6.317 -1.840 -0.499 1.00 0.00 C ATOM 1323 CD GLU A 85 7.471 -2.462 -1.259 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.213 -3.295 -2.152 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.634 -2.115 -0.962 1.00 0.00 O ATOM 0 H GLU A 85 3.755 -1.356 0.706 1.00 0.00 H new ATOM 0 HA GLU A 85 4.992 0.439 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.412 -2.541 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.351 -1.718 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.618 -0.861 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.086 -2.455 0.371 1.00 0.00 H new ATOM 1332 N CYS A 86 2.082 -0.719 -2.022 1.00 0.00 N ATOM 1333 CA CYS A 86 1.020 -0.565 -3.010 1.00 0.00 C ATOM 1334 C CYS A 86 0.655 0.904 -3.192 1.00 0.00 C ATOM 1335 O CYS A 86 0.729 1.442 -4.297 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.216 -1.362 -2.590 1.00 0.00 C ATOM 1337 SG CYS A 86 -1.323 -1.783 -3.956 1.00 0.00 S ATOM 0 H CYS A 86 1.827 -1.285 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 86 1.385 -0.950 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.107 -2.281 -2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.772 -0.786 -1.850 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.636 -2.313 -4.924 1.00 0.00 H new ATOM 1343 N LEU A 87 0.260 1.550 -2.099 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.117 2.958 -2.137 1.00 0.00 C ATOM 1345 C LEU A 87 0.992 3.831 -1.559 1.00 0.00 C ATOM 1346 O LEU A 87 0.741 4.708 -0.732 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.418 3.180 -1.360 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.478 2.093 -1.547 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.599 2.262 -0.532 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.030 2.127 -2.965 1.00 0.00 C ATOM 0 H LEU A 87 0.193 1.120 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.272 3.241 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.181 3.256 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.844 4.137 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.010 1.122 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.344 1.480 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.191 2.189 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.066 3.238 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.783 1.347 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.483 3.100 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.220 1.958 -3.675 1.00 0.00 H new ATOM 1362 N ALA A 88 2.220 3.584 -2.001 1.00 0.00 N ATOM 1363 CA ALA A 88 3.370 4.345 -1.528 1.00 0.00 C ATOM 1364 C ALA A 88 3.255 5.816 -1.914 1.00 0.00 C ATOM 1365 O ALA A 88 3.515 6.702 -1.100 1.00 0.00 O ATOM 1366 CB ALA A 88 4.657 3.752 -2.083 1.00 0.00 C ATOM 0 H ALA A 88 2.445 2.863 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 88 3.391 4.284 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.509 4.329 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.753 2.718 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.632 3.784 -3.172 1.00 0.00 H new ATOM 1372 N GLU A 89 2.867 6.070 -3.159 1.00 0.00 N ATOM 1373 CA GLU A 89 2.720 7.436 -3.651 1.00 0.00 C ATOM 1374 C GLU A 89 1.453 8.084 -3.099 1.00 0.00 C ATOM 1375 O GLU A 89 1.445 9.270 -2.772 1.00 0.00 O ATOM 1376 CB GLU A 89 2.686 7.447 -5.180 1.00 0.00 C ATOM 1377 CG GLU A 89 3.942 6.878 -5.820 1.00 0.00 C ATOM 1378 CD GLU A 89 3.966 7.068 -7.325 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.369 6.233 -8.037 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.580 8.050 -7.790 1.00 0.00 O ATOM 0 H GLU A 89 2.649 5.349 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 89 3.579 8.012 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.823 6.874 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.545 8.471 -5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.818 7.358 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.013 5.815 -5.590 1.00 0.00 H new ATOM 1387 N GLU A 90 0.385 7.299 -3.005 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.889 7.797 -2.499 1.00 0.00 C ATOM 1389 C GLU A 90 -0.860 7.965 -0.981 1.00 0.00 C ATOM 1390 O GLU A 90 -1.551 8.820 -0.429 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.022 6.848 -2.894 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.414 6.945 -4.359 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.791 5.850 -5.203 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -1.525 4.759 -4.657 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.570 6.084 -6.410 1.00 0.00 O ATOM 0 H GLU A 90 0.376 6.315 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.064 8.776 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.720 5.824 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.895 7.062 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.499 6.892 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.110 7.916 -4.749 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.064 7.136 -0.310 1.00 0.00 N ATOM 1403 CA LEU A 91 0.046 7.186 1.148 1.00 0.00 C ATOM 1404 C LEU A 91 0.251 8.618 1.647 1.00 0.00 C ATOM 1405 O LEU A 91 -0.544 9.124 2.438 1.00 0.00 O ATOM 1406 CB LEU A 91 1.194 6.292 1.625 1.00 0.00 C ATOM 1407 CG LEU A 91 0.765 4.948 2.216 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.970 4.191 2.750 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.267 5.154 3.316 1.00 0.00 C ATOM 0 H LEU A 91 0.515 6.421 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.892 6.817 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.862 6.105 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.769 6.835 2.375 1.00 0.00 H new ATOM 0 HG LEU A 91 0.310 4.354 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.645 3.237 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.676 4.011 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.455 4.781 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.561 4.187 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.163 5.768 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.143 5.655 2.904 1.00 0.00 H new ATOM 1421 N PRO A 92 1.323 9.291 1.193 1.00 0.00 N ATOM 1422 CA PRO A 92 1.623 10.666 1.602 1.00 0.00 C ATOM 1423 C PRO A 92 0.390 11.566 1.582 1.00 0.00 C ATOM 1424 O PRO A 92 0.262 12.479 2.396 1.00 0.00 O ATOM 1425 CB PRO A 92 2.636 11.125 0.556 1.00 0.00 C ATOM 1426 CG PRO A 92 3.339 9.879 0.142 1.00 0.00 C ATOM 1427 CD PRO A 92 2.329 8.765 0.250 1.00 0.00 C ATOM 0 HA PRO A 92 1.989 10.716 2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.143 11.602 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.332 11.854 0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.714 9.965 -0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.199 9.687 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.886 8.532 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.784 7.847 0.622 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.515 11.300 0.644 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.738 12.083 0.518 1.00 0.00 C ATOM 1437 C HIS A 93 -2.730 11.725 1.620 1.00 0.00 C ATOM 1438 O HIS A 93 -3.508 12.568 2.068 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.376 11.855 -0.852 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.533 12.336 -1.993 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.868 13.422 -2.773 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.360 11.870 -2.484 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.939 13.605 -3.694 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.013 12.677 -3.540 1.00 0.00 N ATOM 0 H HIS A 93 -0.423 10.548 -0.039 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.476 13.136 0.618 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.572 10.790 -0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.340 12.363 -0.884 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.198 11.022 -2.114 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.937 14.381 -4.445 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.825 12.576 -4.113 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.698 10.469 2.052 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.593 9.995 3.101 1.00 0.00 C ATOM 1455 C ILE A 94 -3.172 10.530 4.466 1.00 0.00 C ATOM 1456 O ILE A 94 -2.139 10.136 5.005 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.627 8.456 3.159 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.845 7.872 1.762 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.716 7.984 4.112 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.175 8.250 1.149 1.00 0.00 C ATOM 0 H ILE A 94 -2.060 9.760 1.691 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.588 10.366 2.857 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.666 8.103 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.043 8.211 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.775 6.786 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.727 6.894 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.518 8.372 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.684 8.347 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.260 7.801 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.984 7.887 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.240 9.335 1.062 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.980 11.429 5.020 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.690 12.012 6.324 1.00 0.00 C ATOM 1474 C HIS A 95 -3.633 10.931 7.398 1.00 0.00 C ATOM 1475 O HIS A 95 -2.864 11.031 8.354 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.750 13.054 6.689 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.233 14.152 7.564 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -3.103 14.885 7.264 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.697 14.644 8.737 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -2.894 15.778 8.216 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.847 15.653 9.120 1.00 0.00 N ATOM 0 H HIS A 95 -4.839 11.768 4.587 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.717 12.500 6.269 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.151 13.489 5.773 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.578 12.557 7.195 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.572 14.306 9.272 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.082 16.489 8.248 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.938 16.215 9.966 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.450 9.897 7.228 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.494 8.790 8.175 1.00 0.00 C ATOM 1492 C ALA A 96 -4.861 7.488 7.473 1.00 0.00 C ATOM 1493 O ALA A 96 -5.954 7.353 6.925 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.484 9.088 9.291 1.00 0.00 C ATOM 0 H ALA A 96 -5.092 9.803 6.441 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.501 8.673 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.506 8.252 9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.179 9.993 9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.478 9.232 8.867 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.937 6.533 7.490 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.161 5.241 6.851 1.00 0.00 C ATOM 1502 C PHE A 97 -4.162 4.114 7.878 1.00 0.00 C ATOM 1503 O PHE A 97 -3.325 4.083 8.781 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.089 4.982 5.792 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.456 3.900 4.816 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.149 2.575 5.083 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.108 4.207 3.634 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.484 1.577 4.187 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.447 3.215 2.734 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.134 1.898 3.012 1.00 0.00 C ATOM 0 H PHE A 97 -3.026 6.629 7.939 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.139 5.267 6.371 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.901 5.905 5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.157 4.711 6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.642 2.319 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.355 5.235 3.413 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.238 0.548 4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.955 3.468 1.815 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.398 1.120 2.311 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.105 3.190 7.733 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.215 2.059 8.646 1.00 0.00 C ATOM 1522 C GLU A 98 -5.363 0.752 7.873 1.00 0.00 C ATOM 1523 O GLU A 98 -6.311 0.577 7.108 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.409 2.248 9.585 1.00 0.00 C ATOM 1525 CG GLU A 98 -6.514 1.177 10.658 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.717 1.518 11.902 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -6.074 2.501 12.584 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -4.737 0.800 12.193 1.00 0.00 O ATOM 0 H GLU A 98 -5.805 3.202 6.991 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.301 2.010 9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.333 3.224 10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.326 2.252 8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.561 1.040 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.162 0.228 10.254 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.420 -0.162 8.077 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.446 -1.452 7.398 1.00 0.00 C ATOM 1537 C GLN A 99 -4.544 -2.597 8.401 1.00 0.00 C ATOM 1538 O GLN A 99 -4.035 -2.502 9.518 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.193 -1.621 6.535 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.910 -1.215 7.239 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.705 -1.250 6.321 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -0.679 -0.583 5.286 1.00 0.00 O ATOM 1543 NE2 GLN A 99 0.303 -2.031 6.695 1.00 0.00 N ATOM 0 H GLN A 99 -3.628 -0.033 8.707 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.328 -1.479 6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.113 -2.663 6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.304 -1.026 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.025 -0.209 7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.737 -1.881 8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.239 -2.567 7.561 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.141 -2.095 6.116 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.200 -3.678 7.992 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.365 -4.844 8.853 1.00 0.00 C ATOM 1554 C LYS A 100 -5.446 -6.122 8.026 1.00 0.00 C ATOM 1555 O LYS A 100 -6.334 -6.276 7.187 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.623 -4.696 9.711 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.513 -5.365 11.072 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.171 -4.531 12.159 1.00 0.00 C ATOM 1559 CE LYS A 100 -6.194 -3.543 12.771 1.00 0.00 C ATOM 1560 NZ LYS A 100 -6.885 -2.341 13.315 1.00 0.00 N ATOM 0 H LYS A 100 -5.626 -3.771 7.070 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.495 -4.910 9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.834 -3.636 9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.471 -5.121 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.981 -6.349 11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.463 -5.521 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.021 -3.992 11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.561 -5.188 12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.635 -4.032 13.569 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.470 -3.235 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.183 -1.692 13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.398 -1.859 12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.558 -2.632 14.053 1.00 0.00 H new ATOM 1574 N THR A 101 -4.511 -7.036 8.265 1.00 0.00 N ATOM 1575 CA THR A 101 -4.475 -8.301 7.540 1.00 0.00 C ATOM 1576 C THR A 101 -4.964 -9.448 8.418 1.00 0.00 C ATOM 1577 O THR A 101 -4.663 -9.502 9.611 1.00 0.00 O ATOM 1578 CB THR A 101 -3.057 -8.590 7.047 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.220 -8.975 8.123 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.409 -7.405 6.362 1.00 0.00 C ATOM 0 H THR A 101 -3.768 -6.924 8.955 1.00 0.00 H new ATOM 0 HA THR A 101 -5.141 -8.217 6.681 1.00 0.00 H new ATOM 0 HB THR A 101 -3.162 -9.396 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.289 -9.002 7.819 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.405 -7.677 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.005 -7.114 5.497 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.350 -6.569 7.059 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.717 -10.365 7.819 1.00 0.00 N ATOM 1589 CA LEU A 102 -6.246 -11.515 8.545 1.00 0.00 C ATOM 1590 C LEU A 102 -6.404 -12.716 7.619 1.00 0.00 C ATOM 1591 O LEU A 102 -6.517 -12.565 6.402 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.591 -11.163 9.188 1.00 0.00 C ATOM 1593 CG LEU A 102 -7.560 -10.998 10.708 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -8.958 -10.737 11.247 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -6.955 -12.229 11.365 1.00 0.00 C ATOM 0 H LEU A 102 -5.975 -10.334 6.833 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.537 -11.779 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.957 -10.237 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.311 -11.942 8.937 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.935 -10.138 10.947 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.915 -10.622 12.330 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.355 -9.825 10.801 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.607 -11.576 10.996 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.941 -12.094 12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.553 -13.105 11.116 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.936 -12.371 11.004 1.00 0.00 H new ATOM 1607 N THR A 103 -6.411 -13.910 8.203 1.00 0.00 N ATOM 1608 CA THR A 103 -6.556 -15.139 7.430 1.00 0.00 C ATOM 1609 C THR A 103 -8.028 -15.484 7.225 1.00 0.00 C ATOM 1610 O THR A 103 -8.882 -15.102 8.027 1.00 0.00 O ATOM 1611 CB THR A 103 -5.842 -16.294 8.132 1.00 0.00 C ATOM 1612 OG1 THR A 103 -6.220 -16.363 9.496 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.333 -16.186 8.079 1.00 0.00 C ATOM 0 H THR A 103 -6.318 -14.053 9.209 1.00 0.00 H new ATOM 0 HA THR A 103 -6.101 -14.980 6.453 1.00 0.00 H new ATOM 0 HB THR A 103 -6.145 -17.191 7.592 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.754 -17.109 9.927 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.889 -17.037 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.005 -16.181 7.040 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.017 -15.262 8.564 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.348 -16.215 6.143 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.726 -16.612 5.837 1.00 0.00 C ATOM 1623 C PRO A 104 -10.404 -17.304 7.014 1.00 0.00 C ATOM 1624 O PRO A 104 -11.548 -16.998 7.352 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.566 -17.582 4.665 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.281 -17.195 4.023 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.392 -16.711 5.136 1.00 0.00 C ATOM 0 HA PRO A 104 -10.357 -15.752 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.541 -18.616 5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.398 -17.498 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.832 -18.043 3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.436 -16.413 3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.771 -17.514 5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.718 -15.923 4.799 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.691 -18.238 7.635 1.00 0.00 N ATOM 1636 CA GLU A 105 -10.223 -18.975 8.774 1.00 0.00 C ATOM 1637 C GLU A 105 -10.579 -18.028 9.917 1.00 0.00 C ATOM 1638 O GLU A 105 -11.513 -18.280 10.677 1.00 0.00 O ATOM 1639 CB GLU A 105 -9.208 -20.017 9.252 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.585 -21.443 8.887 1.00 0.00 C ATOM 1641 CD GLU A 105 -9.523 -21.699 7.394 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -8.640 -21.118 6.728 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -10.358 -22.480 6.891 1.00 0.00 O ATOM 0 H GLU A 105 -8.743 -18.502 7.368 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.132 -19.485 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.233 -19.786 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.105 -19.943 10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.915 -22.134 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.593 -21.652 9.246 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.826 -16.938 10.032 1.00 0.00 N ATOM 1651 CA GLN A 106 -10.062 -15.954 11.082 1.00 0.00 C ATOM 1652 C GLN A 106 -11.331 -15.155 10.804 1.00 0.00 C ATOM 1653 O GLN A 106 -12.133 -14.911 11.706 1.00 0.00 O ATOM 1654 CB GLN A 106 -8.866 -15.008 11.201 1.00 0.00 C ATOM 1655 CG GLN A 106 -7.677 -15.619 11.926 1.00 0.00 C ATOM 1656 CD GLN A 106 -7.608 -15.206 13.384 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -7.939 -14.074 13.736 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -7.175 -16.125 14.239 1.00 0.00 N ATOM 0 H GLN A 106 -9.048 -16.714 9.411 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.190 -16.488 12.024 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.554 -14.702 10.202 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -9.178 -14.106 11.728 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.737 -16.706 11.862 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.757 -15.320 11.424 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.911 -17.051 13.902 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.106 -15.905 15.233 1.00 0.00 H new ATOM 1667 N TRP A 107 -11.507 -14.750 9.550 1.00 0.00 N ATOM 1668 CA TRP A 107 -12.679 -13.978 9.155 1.00 0.00 C ATOM 1669 C TRP A 107 -13.917 -14.866 9.071 1.00 0.00 C ATOM 1670 O TRP A 107 -14.997 -14.485 9.521 1.00 0.00 O ATOM 1671 CB TRP A 107 -12.437 -13.293 7.811 1.00 0.00 C ATOM 1672 CG TRP A 107 -13.013 -11.915 7.746 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -14.251 -11.566 7.292 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -12.377 -10.699 8.154 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -14.422 -10.206 7.387 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -13.286 -9.652 7.913 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -11.127 -10.397 8.699 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -12.982 -8.322 8.200 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -10.826 -9.078 8.982 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -11.750 -8.055 8.733 1.00 0.00 C ATOM 0 H TRP A 107 -10.853 -14.944 8.791 1.00 0.00 H new ATOM 0 HA TRP A 107 -12.852 -13.217 9.916 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -11.364 -13.242 7.623 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.871 -13.900 7.017 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.989 -12.258 6.913 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -15.259 -9.693 7.111 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -10.409 -11.179 8.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -13.693 -7.531 8.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -9.862 -8.832 9.402 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -11.485 -7.034 8.966 1.00 0.00 H new ATOM 1691 N THR A 108 -13.752 -16.051 8.491 1.00 0.00 N ATOM 1692 CA THR A 108 -14.856 -16.993 8.348 1.00 0.00 C ATOM 1693 C THR A 108 -15.462 -17.336 9.705 1.00 0.00 C ATOM 1694 O THR A 108 -16.668 -17.198 9.910 1.00 0.00 O ATOM 1695 CB THR A 108 -14.376 -18.268 7.653 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.666 -17.957 6.468 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.504 -19.205 7.281 1.00 0.00 C ATOM 0 H THR A 108 -12.864 -16.381 8.113 1.00 0.00 H new ATOM 0 HA THR A 108 -15.626 -16.521 7.738 1.00 0.00 H new ATOM 0 HB THR A 108 -13.733 -18.768 8.377 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.704 -17.949 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.096 -20.089 6.792 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.041 -19.504 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.189 -18.698 6.601 1.00 0.00 H new