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 84 ASN : amide:sc= -0.411 K(o=-1.5,f=-2.6!) USER MOD Set 1.2: A 99 GLN : amide:sc= -1.09 X(o=-1.5,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+ 161:sc= -0.397 (180deg=-1.11) USER MOD Single : A 31 SER OG : rot 27:sc= 0.439 USER MOD Single : A 41 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.19) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -150:sc= -0.497 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.729 K(o=-0.73,f=-2.8!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.069) USER MOD Single : A 86 CYS SG : rot 180:sc= -2.63 USER MOD Single : A 93 HIS : no HD1:sc= -0.277 X(o=-0.28,f=0.06) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= -0.771 (180deg=-1.06) USER MOD Single : A 101 THR OG1 : rot 20:sc= 0.226! USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 96:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.289 7.846 -3.408 1.00 0.00 N ATOM 428 CA SER A 31 -10.600 7.215 -3.313 1.00 0.00 C ATOM 429 C SER A 31 -10.515 5.897 -2.549 1.00 0.00 C ATOM 430 O SER A 31 -9.599 5.103 -2.761 1.00 0.00 O ATOM 431 CB SER A 31 -11.174 6.971 -4.710 1.00 0.00 C ATOM 432 OG SER A 31 -10.821 8.019 -5.596 1.00 0.00 O ATOM 0 HA SER A 31 -11.261 7.889 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.804 6.022 -5.098 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.259 6.890 -4.652 1.00 0.00 H new ATOM 0 HG SER A 31 -9.980 8.427 -5.301 1.00 0.00 H new ATOM 438 N ALA A 32 -11.476 5.671 -1.660 1.00 0.00 N ATOM 439 CA ALA A 32 -11.510 4.450 -0.864 1.00 0.00 C ATOM 440 C ALA A 32 -11.632 3.218 -1.753 1.00 0.00 C ATOM 441 O ALA A 32 -10.902 2.242 -1.582 1.00 0.00 O ATOM 442 CB ALA A 32 -12.661 4.501 0.130 1.00 0.00 C ATOM 0 H ALA A 32 -12.242 6.318 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.571 4.378 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.675 3.583 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.531 5.355 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.603 4.601 -0.409 1.00 0.00 H new ATOM 448 N ASP A 33 -12.560 3.270 -2.704 1.00 0.00 N ATOM 449 CA ASP A 33 -12.777 2.157 -3.621 1.00 0.00 C ATOM 450 C ASP A 33 -11.514 1.855 -4.421 1.00 0.00 C ATOM 451 O ASP A 33 -11.258 0.708 -4.787 1.00 0.00 O ATOM 452 CB ASP A 33 -13.934 2.471 -4.572 1.00 0.00 C ATOM 453 CG ASP A 33 -14.778 1.250 -4.879 1.00 0.00 C ATOM 454 OD1 ASP A 33 -14.413 0.493 -5.804 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.803 1.049 -4.195 1.00 0.00 O ATOM 0 H ASP A 33 -13.173 4.070 -2.859 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.029 1.277 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.564 3.243 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.536 2.877 -5.502 1.00 0.00 H new ATOM 460 N TYR A 34 -10.726 2.892 -4.688 1.00 0.00 N ATOM 461 CA TYR A 34 -9.490 2.737 -5.445 1.00 0.00 C ATOM 462 C TYR A 34 -8.459 1.945 -4.648 1.00 0.00 C ATOM 463 O TYR A 34 -7.840 1.015 -5.165 1.00 0.00 O ATOM 464 CB TYR A 34 -8.921 4.109 -5.816 1.00 0.00 C ATOM 465 CG TYR A 34 -7.645 4.038 -6.624 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.576 3.282 -7.786 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.508 4.729 -6.222 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.412 3.216 -8.527 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.339 4.668 -6.958 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.296 3.909 -8.109 1.00 0.00 C ATOM 471 OH TYR A 34 -4.134 3.846 -8.843 1.00 0.00 O ATOM 0 H TYR A 34 -10.922 3.848 -4.391 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.718 2.186 -6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.670 4.662 -6.383 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.732 4.673 -4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.447 2.736 -8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.538 5.323 -5.321 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.376 2.624 -9.430 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.464 5.212 -6.633 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.444 4.392 -8.411 1.00 0.00 H new ATOM 481 N LEU A 35 -8.279 2.320 -3.385 1.00 0.00 N ATOM 482 CA LEU A 35 -7.324 1.643 -2.516 1.00 0.00 C ATOM 483 C LEU A 35 -7.772 0.218 -2.216 1.00 0.00 C ATOM 484 O LEU A 35 -6.952 -0.694 -2.117 1.00 0.00 O ATOM 485 CB LEU A 35 -7.152 2.422 -1.210 1.00 0.00 C ATOM 486 CG LEU A 35 -6.857 3.913 -1.379 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.890 4.620 -0.033 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.511 4.116 -2.057 1.00 0.00 C ATOM 0 H LEU A 35 -8.782 3.089 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.367 1.599 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.060 2.312 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.341 1.969 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.630 4.347 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.678 5.680 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.877 4.504 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.139 4.184 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.317 5.183 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.726 3.667 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.524 3.644 -3.040 1.00 0.00 H new ATOM 500 N ARG A 36 -9.080 0.032 -2.070 1.00 0.00 N ATOM 501 CA ARG A 36 -9.639 -1.283 -1.780 1.00 0.00 C ATOM 502 C ARG A 36 -9.527 -2.203 -2.991 1.00 0.00 C ATOM 503 O ARG A 36 -9.100 -3.351 -2.875 1.00 0.00 O ATOM 504 CB ARG A 36 -11.103 -1.157 -1.354 1.00 0.00 C ATOM 505 CG ARG A 36 -11.650 -2.402 -0.676 1.00 0.00 C ATOM 506 CD ARG A 36 -13.171 -2.414 -0.670 1.00 0.00 C ATOM 507 NE ARG A 36 -13.711 -3.586 -1.355 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.958 -4.026 -1.198 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.795 -3.396 -0.383 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.368 -5.100 -1.859 1.00 0.00 N ATOM 0 H ARG A 36 -9.773 0.776 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.066 -1.719 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.203 -0.310 -0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.710 -0.935 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.281 -3.289 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.281 -2.451 0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.530 -2.398 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.543 -1.509 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.098 -4.097 -1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.484 -2.569 0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.749 -3.738 -0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.729 -5.588 -2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.323 -5.438 -1.740 1.00 0.00 H new ATOM 524 N GLU A 37 -9.916 -1.691 -4.154 1.00 0.00 N ATOM 525 CA GLU A 37 -9.860 -2.465 -5.388 1.00 0.00 C ATOM 526 C GLU A 37 -8.419 -2.806 -5.755 1.00 0.00 C ATOM 527 O GLU A 37 -8.140 -3.883 -6.283 1.00 0.00 O ATOM 528 CB GLU A 37 -10.521 -1.692 -6.530 1.00 0.00 C ATOM 529 CG GLU A 37 -12.029 -1.566 -6.388 1.00 0.00 C ATOM 530 CD GLU A 37 -12.781 -2.525 -7.289 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.518 -2.523 -8.511 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.635 -3.279 -6.774 1.00 0.00 O ATOM 0 H GLU A 37 -10.274 -0.743 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.403 -3.396 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.085 -0.694 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.294 -2.189 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.309 -1.752 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.328 -0.544 -6.621 1.00 0.00 H new ATOM 539 N LYS A 38 -7.507 -1.881 -5.474 1.00 0.00 N ATOM 540 CA LYS A 38 -6.095 -2.084 -5.775 1.00 0.00 C ATOM 541 C LYS A 38 -5.550 -3.304 -5.041 1.00 0.00 C ATOM 542 O LYS A 38 -5.076 -4.255 -5.662 1.00 0.00 O ATOM 543 CB LYS A 38 -5.286 -0.842 -5.393 1.00 0.00 C ATOM 544 CG LYS A 38 -3.960 -0.730 -6.127 1.00 0.00 C ATOM 545 CD LYS A 38 -3.199 0.520 -5.716 1.00 0.00 C ATOM 546 CE LYS A 38 -2.088 0.845 -6.700 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.557 0.776 -8.111 1.00 0.00 N ATOM 0 H LYS A 38 -7.721 -0.984 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.001 -2.256 -6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.882 0.047 -5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.097 -0.858 -4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.353 -1.611 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.139 -0.711 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.888 1.362 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.776 0.379 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.702 1.843 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.262 0.148 -6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.898 1.300 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.596 -0.218 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.505 1.198 -8.183 1.00 0.00 H new ATOM 561 N LEU A 39 -5.620 -3.270 -3.713 1.00 0.00 N ATOM 562 CA LEU A 39 -5.133 -4.375 -2.894 1.00 0.00 C ATOM 563 C LEU A 39 -5.900 -5.658 -3.196 1.00 0.00 C ATOM 564 O LEU A 39 -5.357 -6.757 -3.087 1.00 0.00 O ATOM 565 CB LEU A 39 -5.260 -4.029 -1.409 1.00 0.00 C ATOM 566 CG LEU A 39 -4.647 -2.687 -1.002 1.00 0.00 C ATOM 567 CD1 LEU A 39 -4.949 -2.384 0.458 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.146 -2.693 -1.249 1.00 0.00 C ATOM 0 H LEU A 39 -6.009 -2.490 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.083 -4.537 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.317 -4.024 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.787 -4.819 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.093 -1.903 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.506 -1.426 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.028 -2.339 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.530 -3.170 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.725 -1.732 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.684 -3.487 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.952 -2.865 -2.308 1.00 0.00 H new ATOM 580 N ARG A 40 -7.166 -5.512 -3.574 1.00 0.00 N ATOM 581 CA ARG A 40 -8.008 -6.659 -3.890 1.00 0.00 C ATOM 582 C ARG A 40 -7.425 -7.464 -5.038 1.00 0.00 C ATOM 583 O ARG A 40 -7.120 -8.648 -4.889 1.00 0.00 O ATOM 584 CB ARG A 40 -9.425 -6.200 -4.239 1.00 0.00 C ATOM 585 CG ARG A 40 -10.466 -7.301 -4.124 1.00 0.00 C ATOM 586 CD ARG A 40 -11.787 -6.887 -4.752 1.00 0.00 C ATOM 587 NE ARG A 40 -11.870 -7.279 -6.158 1.00 0.00 N ATOM 588 CZ ARG A 40 -13.012 -7.358 -6.838 1.00 0.00 C ATOM 589 NH1 ARG A 40 -14.166 -7.075 -6.248 1.00 0.00 N ATOM 590 NH2 ARG A 40 -12.999 -7.722 -8.114 1.00 0.00 N ATOM 0 H ARG A 40 -7.631 -4.609 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.049 -7.299 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.704 -5.377 -3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.431 -5.810 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.098 -8.204 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.623 -7.547 -3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.610 -7.341 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.905 -5.807 -4.669 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.003 -7.505 -6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.182 -6.795 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.037 -7.138 -6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.115 -7.941 -8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.873 -7.783 -8.636 1.00 0.00 H new ATOM 604 N GLN A 41 -7.279 -6.821 -6.183 1.00 0.00 N ATOM 605 CA GLN A 41 -6.736 -7.487 -7.355 1.00 0.00 C ATOM 606 C GLN A 41 -5.226 -7.670 -7.234 1.00 0.00 C ATOM 607 O GLN A 41 -4.675 -8.673 -7.686 1.00 0.00 O ATOM 608 CB GLN A 41 -7.069 -6.698 -8.622 1.00 0.00 C ATOM 609 CG GLN A 41 -6.473 -5.300 -8.643 1.00 0.00 C ATOM 610 CD GLN A 41 -7.043 -4.439 -9.753 1.00 0.00 C ATOM 611 OE1 GLN A 41 -7.358 -4.931 -10.837 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.180 -3.145 -9.487 1.00 0.00 N ATOM 0 H GLN A 41 -7.528 -5.842 -6.327 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.196 -8.473 -7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.708 -7.251 -9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.152 -6.624 -8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.656 -4.817 -7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.392 -5.372 -8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.906 -2.780 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.559 -2.516 -10.195 1.00 0.00 H new ATOM 621 N ASP A 42 -4.564 -6.693 -6.624 1.00 0.00 N ATOM 622 CA ASP A 42 -3.117 -6.746 -6.445 1.00 0.00 C ATOM 623 C ASP A 42 -2.706 -7.993 -5.666 1.00 0.00 C ATOM 624 O ASP A 42 -1.850 -8.759 -6.108 1.00 0.00 O ATOM 625 CB ASP A 42 -2.625 -5.493 -5.719 1.00 0.00 C ATOM 626 CG ASP A 42 -1.115 -5.453 -5.590 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.451 -4.985 -6.538 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.598 -5.890 -4.541 1.00 0.00 O ATOM 0 H ASP A 42 -5.006 -5.855 -6.245 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.658 -6.790 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.964 -4.608 -6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.073 -5.453 -4.726 1.00 0.00 H new ATOM 633 N LEU A 43 -3.323 -8.188 -4.506 1.00 0.00 N ATOM 634 CA LEU A 43 -3.022 -9.342 -3.664 1.00 0.00 C ATOM 635 C LEU A 43 -3.971 -10.503 -3.955 1.00 0.00 C ATOM 636 O LEU A 43 -3.709 -11.640 -3.562 1.00 0.00 O ATOM 637 CB LEU A 43 -3.109 -8.955 -2.187 1.00 0.00 C ATOM 638 CG LEU A 43 -1.824 -8.377 -1.592 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.144 -7.456 -0.424 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.891 -9.495 -1.151 1.00 0.00 C ATOM 0 H LEU A 43 -4.034 -7.563 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.007 -9.667 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.908 -8.224 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.393 -9.837 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.320 -7.793 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.218 -7.054 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.774 -6.636 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.670 -8.017 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.018 -9.065 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.387 -10.106 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.635 -10.116 -2.010 1.00 0.00 H new ATOM 652 N GLU A 44 -5.073 -10.214 -4.642 1.00 0.00 N ATOM 653 CA GLU A 44 -6.055 -11.240 -4.978 1.00 0.00 C ATOM 654 C GLU A 44 -6.662 -11.843 -3.714 1.00 0.00 C ATOM 655 O GLU A 44 -6.555 -13.046 -3.474 1.00 0.00 O ATOM 656 CB GLU A 44 -5.408 -12.337 -5.826 1.00 0.00 C ATOM 657 CG GLU A 44 -4.843 -11.834 -7.144 1.00 0.00 C ATOM 658 CD GLU A 44 -5.055 -12.815 -8.282 1.00 0.00 C ATOM 659 OE1 GLU A 44 -6.211 -13.239 -8.493 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.065 -13.159 -8.961 1.00 0.00 O ATOM 0 H GLU A 44 -5.308 -9.279 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.853 -10.772 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.608 -12.804 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.148 -13.111 -6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.312 -10.883 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.776 -11.642 -7.028 1.00 0.00 H new ATOM 667 N ALA A 45 -7.300 -10.999 -2.911 1.00 0.00 N ATOM 668 CA ALA A 45 -7.923 -11.446 -1.672 1.00 0.00 C ATOM 669 C ALA A 45 -9.334 -11.967 -1.924 1.00 0.00 C ATOM 670 O ALA A 45 -9.874 -11.822 -3.020 1.00 0.00 O ATOM 671 CB ALA A 45 -7.951 -10.313 -0.658 1.00 0.00 C ATOM 0 H ALA A 45 -7.399 -10.001 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.328 -12.265 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.419 -10.660 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.932 -9.988 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.522 -9.477 -1.062 1.00 0.00 H new ATOM 677 N GLU A 46 -9.926 -12.574 -0.901 1.00 0.00 N ATOM 678 CA GLU A 46 -11.274 -13.118 -1.010 1.00 0.00 C ATOM 679 C GLU A 46 -12.317 -12.052 -0.688 1.00 0.00 C ATOM 680 O GLU A 46 -13.227 -11.800 -1.479 1.00 0.00 O ATOM 681 CB GLU A 46 -11.443 -14.312 -0.069 1.00 0.00 C ATOM 682 CG GLU A 46 -10.683 -15.550 -0.516 1.00 0.00 C ATOM 683 CD GLU A 46 -10.843 -16.711 0.447 1.00 0.00 C ATOM 684 OE1 GLU A 46 -11.204 -16.467 1.616 1.00 0.00 O ATOM 685 OE2 GLU A 46 -10.608 -17.865 0.029 1.00 0.00 O ATOM 0 H GLU A 46 -9.493 -12.702 0.014 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.423 -13.450 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.106 -14.029 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.503 -14.555 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.034 -15.851 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.625 -15.307 -0.614 1.00 0.00 H new ATOM 692 N HIS A 47 -12.178 -11.427 0.477 1.00 0.00 N ATOM 693 CA HIS A 47 -13.108 -10.388 0.904 1.00 0.00 C ATOM 694 C HIS A 47 -12.356 -9.144 1.365 1.00 0.00 C ATOM 695 O HIS A 47 -11.355 -9.238 2.073 1.00 0.00 O ATOM 696 CB HIS A 47 -14.002 -10.907 2.031 1.00 0.00 C ATOM 697 CG HIS A 47 -15.314 -11.448 1.553 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.307 -10.655 1.018 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.795 -12.714 1.531 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.341 -11.408 0.688 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.055 -12.662 0.989 1.00 0.00 N ATOM 0 H HIS A 47 -11.430 -11.622 1.142 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.732 -10.118 0.052 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.472 -11.690 2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.188 -10.099 2.738 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.282 -13.600 1.876 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -18.263 -11.058 0.247 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.671 -13.462 0.842 1.00 0.00 H new ATOM 710 N VAL A 48 -12.848 -7.978 0.958 1.00 0.00 N ATOM 711 CA VAL A 48 -12.222 -6.714 1.329 1.00 0.00 C ATOM 712 C VAL A 48 -13.271 -5.649 1.631 1.00 0.00 C ATOM 713 O VAL A 48 -14.347 -5.636 1.033 1.00 0.00 O ATOM 714 CB VAL A 48 -11.291 -6.199 0.216 1.00 0.00 C ATOM 715 CG1 VAL A 48 -10.045 -7.065 0.118 1.00 0.00 C ATOM 716 CG2 VAL A 48 -12.025 -6.155 -1.115 1.00 0.00 C ATOM 0 H VAL A 48 -13.677 -7.882 0.372 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.632 -6.905 2.226 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.981 -5.185 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.399 -6.685 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.509 -7.040 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.332 -8.092 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.352 -5.789 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.367 -7.157 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.883 -5.488 -1.035 1.00 0.00 H new ATOM 726 N GLU A 49 -12.950 -4.757 2.563 1.00 0.00 N ATOM 727 CA GLU A 49 -13.865 -3.688 2.944 1.00 0.00 C ATOM 728 C GLU A 49 -13.101 -2.407 3.266 1.00 0.00 C ATOM 729 O GLU A 49 -12.113 -2.430 4.000 1.00 0.00 O ATOM 730 CB GLU A 49 -14.703 -4.112 4.152 1.00 0.00 C ATOM 731 CG GLU A 49 -16.126 -3.579 4.122 1.00 0.00 C ATOM 732 CD GLU A 49 -17.132 -4.572 4.674 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.918 -5.790 4.506 1.00 0.00 O ATOM 734 OE2 GLU A 49 -18.134 -4.129 5.275 1.00 0.00 O ATOM 0 H GLU A 49 -12.064 -4.754 3.068 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.528 -3.493 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.732 -5.201 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.214 -3.767 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.177 -2.656 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.394 -3.328 3.096 1.00 0.00 H new ATOM 741 N VAL A 50 -13.565 -1.293 2.711 1.00 0.00 N ATOM 742 CA VAL A 50 -12.926 -0.002 2.939 1.00 0.00 C ATOM 743 C VAL A 50 -13.929 1.022 3.463 1.00 0.00 C ATOM 744 O VAL A 50 -15.131 0.903 3.231 1.00 0.00 O ATOM 745 CB VAL A 50 -12.277 0.538 1.648 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.327 0.753 0.568 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.517 1.826 1.929 1.00 0.00 C ATOM 0 H VAL A 50 -14.381 -1.258 2.100 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.149 -0.158 3.687 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.566 -0.204 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.848 1.134 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.819 -0.194 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.067 1.473 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.066 2.191 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.205 2.577 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.735 1.634 2.664 1.00 0.00 H new ATOM 757 N GLU A 51 -13.423 2.027 4.171 1.00 0.00 N ATOM 758 CA GLU A 51 -14.274 3.072 4.729 1.00 0.00 C ATOM 759 C GLU A 51 -13.550 4.412 4.748 1.00 0.00 C ATOM 760 O GLU A 51 -12.337 4.478 4.540 1.00 0.00 O ATOM 761 CB GLU A 51 -14.717 2.698 6.145 1.00 0.00 C ATOM 762 CG GLU A 51 -13.561 2.436 7.095 1.00 0.00 C ATOM 763 CD GLU A 51 -14.016 2.254 8.530 1.00 0.00 C ATOM 764 OE1 GLU A 51 -14.445 3.252 9.148 1.00 0.00 O ATOM 765 OE2 GLU A 51 -13.943 1.115 9.037 1.00 0.00 O ATOM 0 H GLU A 51 -12.429 2.140 4.372 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.155 3.165 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.333 3.502 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.346 1.809 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.025 1.544 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.857 3.267 7.043 1.00 0.00 H new ATOM 772 N ASP A 52 -14.300 5.478 4.995 1.00 0.00 N ATOM 773 CA ASP A 52 -13.734 6.820 5.038 1.00 0.00 C ATOM 774 C ASP A 52 -14.517 7.708 6.000 1.00 0.00 C ATOM 775 O ASP A 52 -15.748 7.671 6.033 1.00 0.00 O ATOM 776 CB ASP A 52 -13.731 7.432 3.635 1.00 0.00 C ATOM 777 CG ASP A 52 -13.232 8.864 3.622 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.175 9.130 4.231 1.00 0.00 O ATOM 779 OD2 ASP A 52 -13.899 9.720 3.004 1.00 0.00 O ATOM 0 H ASP A 52 -15.304 5.439 5.169 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.707 6.750 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.103 6.827 2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.741 7.400 3.227 1.00 0.00 H new ATOM 904 N SER A 61 -9.167 10.253 7.099 1.00 0.00 N ATOM 905 CA SER A 61 -8.637 8.944 7.464 1.00 0.00 C ATOM 906 C SER A 61 -9.290 7.842 6.637 1.00 0.00 C ATOM 907 O SER A 61 -10.450 7.957 6.238 1.00 0.00 O ATOM 908 CB SER A 61 -8.858 8.679 8.954 1.00 0.00 C ATOM 909 OG SER A 61 -8.651 7.311 9.265 1.00 0.00 O ATOM 0 HA SER A 61 -7.567 8.942 7.256 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.178 9.296 9.541 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.871 8.969 9.232 1.00 0.00 H new ATOM 0 HG SER A 61 -8.797 7.168 10.223 1.00 0.00 H new ATOM 915 N PHE A 62 -8.539 6.776 6.381 1.00 0.00 N ATOM 916 CA PHE A 62 -9.046 5.653 5.601 1.00 0.00 C ATOM 917 C PHE A 62 -8.675 4.325 6.252 1.00 0.00 C ATOM 918 O PHE A 62 -7.697 4.238 6.992 1.00 0.00 O ATOM 919 CB PHE A 62 -8.495 5.706 4.174 1.00 0.00 C ATOM 920 CG PHE A 62 -9.081 6.813 3.345 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.344 6.686 2.790 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.367 7.979 3.118 1.00 0.00 C ATOM 923 CE1 PHE A 62 -10.886 7.702 2.026 1.00 0.00 C ATOM 924 CE2 PHE A 62 -8.904 8.999 2.355 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.166 8.859 1.808 1.00 0.00 C ATOM 0 H PHE A 62 -7.577 6.666 6.702 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.133 5.729 5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.413 5.828 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.690 4.753 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.912 5.782 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.380 8.092 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.872 7.591 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.339 9.904 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.588 9.654 1.211 1.00 0.00 H new ATOM 935 N ARG A 63 -9.463 3.293 5.968 1.00 0.00 N ATOM 936 CA ARG A 63 -9.218 1.968 6.525 1.00 0.00 C ATOM 937 C ARG A 63 -9.425 0.889 5.467 1.00 0.00 C ATOM 938 O ARG A 63 -10.487 0.806 4.850 1.00 0.00 O ATOM 939 CB ARG A 63 -10.142 1.713 7.718 1.00 0.00 C ATOM 940 CG ARG A 63 -10.228 2.885 8.681 1.00 0.00 C ATOM 941 CD ARG A 63 -10.364 2.414 10.120 1.00 0.00 C ATOM 942 NE ARG A 63 -10.573 3.527 11.043 1.00 0.00 N ATOM 943 CZ ARG A 63 -9.626 4.400 11.379 1.00 0.00 C ATOM 944 NH1 ARG A 63 -8.405 4.293 10.871 1.00 0.00 N ATOM 945 NH2 ARG A 63 -9.901 5.382 12.226 1.00 0.00 N ATOM 0 H ARG A 63 -10.277 3.349 5.355 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.182 1.928 6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.142 1.482 7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.790 0.834 8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.337 3.505 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.081 3.510 8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.199 1.718 10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.466 1.867 10.409 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.499 3.642 11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.188 3.539 10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.683 4.965 11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.838 5.468 12.620 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.176 6.051 12.484 1.00 0.00 H new ATOM 959 N VAL A 64 -8.402 0.065 5.261 1.00 0.00 N ATOM 960 CA VAL A 64 -8.472 -1.008 4.276 1.00 0.00 C ATOM 961 C VAL A 64 -8.499 -2.375 4.951 1.00 0.00 C ATOM 962 O VAL A 64 -7.688 -2.659 5.832 1.00 0.00 O ATOM 963 CB VAL A 64 -7.282 -0.953 3.300 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.336 0.315 2.462 1.00 0.00 C ATOM 965 CG2 VAL A 64 -5.966 -1.046 4.057 1.00 0.00 C ATOM 0 H VAL A 64 -7.516 0.120 5.763 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.397 -0.864 3.718 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.348 -1.808 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.487 0.336 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.263 0.334 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.296 1.186 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.137 -1.006 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.889 -0.213 4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.928 -1.986 4.607 1.00 0.00 H new ATOM 975 N LEU A 65 -9.435 -3.219 4.528 1.00 0.00 N ATOM 976 CA LEU A 65 -9.568 -4.558 5.089 1.00 0.00 C ATOM 977 C LEU A 65 -9.334 -5.619 4.019 1.00 0.00 C ATOM 978 O LEU A 65 -9.845 -5.513 2.903 1.00 0.00 O ATOM 979 CB LEU A 65 -10.954 -4.740 5.710 1.00 0.00 C ATOM 980 CG LEU A 65 -11.002 -5.661 6.930 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.394 -7.015 6.601 1.00 0.00 C ATOM 982 CD2 LEU A 65 -10.280 -5.021 8.107 1.00 0.00 C ATOM 0 H LEU A 65 -10.113 -2.999 3.798 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.813 -4.676 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.338 -3.761 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.627 -5.135 4.949 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.045 -5.813 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.437 -7.657 7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.953 -7.477 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.355 -6.883 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.323 -5.689 8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.239 -4.840 7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.760 -4.075 8.358 1.00 0.00 H new ATOM 994 N VAL A 66 -8.559 -6.642 4.365 1.00 0.00 N ATOM 995 CA VAL A 66 -8.258 -7.721 3.431 1.00 0.00 C ATOM 996 C VAL A 66 -8.169 -9.064 4.149 1.00 0.00 C ATOM 997 O VAL A 66 -7.680 -9.146 5.275 1.00 0.00 O ATOM 998 CB VAL A 66 -6.936 -7.464 2.684 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.739 -8.490 1.578 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.907 -6.051 2.121 1.00 0.00 C ATOM 0 H VAL A 66 -8.129 -6.746 5.284 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.075 -7.751 2.711 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.114 -7.565 3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.800 -8.292 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.712 -9.490 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.564 -8.424 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.966 -5.888 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.737 -5.919 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.998 -5.333 2.936 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.647 -10.113 3.488 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.622 -11.454 4.060 1.00 0.00 C ATOM 1012 C VAL A 67 -8.444 -12.510 2.975 1.00 0.00 C ATOM 1013 O VAL A 67 -9.266 -12.624 2.065 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.914 -11.753 4.845 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.799 -13.080 5.580 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.222 -10.623 5.815 1.00 0.00 C ATOM 0 H VAL A 67 -9.057 -10.060 2.555 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.773 -11.492 4.743 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.739 -11.828 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.721 -13.273 6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.630 -13.881 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.963 -13.038 6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.138 -10.851 6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.398 -10.513 6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.352 -9.693 5.261 1.00 0.00 H new ATOM 1026 N SER A 68 -7.366 -13.281 3.075 1.00 0.00 N ATOM 1027 CA SER A 68 -7.082 -14.328 2.101 1.00 0.00 C ATOM 1028 C SER A 68 -5.829 -15.108 2.487 1.00 0.00 C ATOM 1029 O SER A 68 -5.297 -14.945 3.585 1.00 0.00 O ATOM 1030 CB SER A 68 -6.908 -13.721 0.707 1.00 0.00 C ATOM 1031 OG SER A 68 -7.428 -14.582 -0.292 1.00 0.00 O ATOM 0 H SER A 68 -6.675 -13.200 3.821 1.00 0.00 H new ATOM 0 HA SER A 68 -7.927 -15.017 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.415 -12.757 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.851 -13.535 0.517 1.00 0.00 H new ATOM 0 HG SER A 68 -6.927 -14.457 -1.125 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.363 -15.956 1.576 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.174 -16.764 1.818 1.00 0.00 C ATOM 1039 C ALA A 69 -2.925 -16.107 1.236 1.00 0.00 C ATOM 1040 O ALA A 69 -1.803 -16.457 1.599 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.358 -18.158 1.236 1.00 0.00 C ATOM 0 H ALA A 69 -5.792 -16.101 0.662 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.037 -16.844 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.463 -18.752 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.217 -18.638 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.526 -18.084 0.162 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.124 -15.152 0.329 1.00 0.00 N ATOM 1048 CA LYS A 70 -2.009 -14.449 -0.299 1.00 0.00 C ATOM 1049 C LYS A 70 -1.059 -13.879 0.749 1.00 0.00 C ATOM 1050 O LYS A 70 0.146 -13.776 0.520 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.531 -13.326 -1.198 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.431 -12.551 -1.906 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.819 -13.359 -3.038 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.750 -13.435 -4.236 1.00 0.00 C ATOM 1055 NZ LYS A 70 -1.340 -14.502 -5.192 1.00 0.00 N ATOM 0 H LYS A 70 -4.045 -14.848 0.014 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.457 -15.166 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.202 -13.752 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.121 -12.635 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.837 -11.620 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.655 -12.282 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.126 -12.907 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.594 -14.366 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.767 -13.626 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.761 -12.473 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.001 -14.521 -5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.379 -14.307 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.354 -15.424 -4.710 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.610 -13.509 1.900 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.813 -12.949 2.985 1.00 0.00 C ATOM 1071 C PHE A 71 -0.008 -14.039 3.688 1.00 0.00 C ATOM 1072 O PHE A 71 1.087 -13.789 4.190 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.714 -12.234 3.993 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.021 -10.812 3.620 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.003 -9.881 3.487 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.327 -10.406 3.403 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.282 -8.572 3.143 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.614 -9.098 3.059 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.589 -8.180 2.929 1.00 0.00 C ATOM 0 H PHE A 71 -2.606 -13.587 2.106 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.117 -12.228 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.649 -12.786 4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.234 -12.249 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.021 -10.182 3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.131 -11.120 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.479 -7.857 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.637 -8.794 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.810 -7.157 2.660 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.562 -15.246 3.722 1.00 0.00 N ATOM 1090 CA GLU A 72 0.102 -16.374 4.362 1.00 0.00 C ATOM 1091 C GLU A 72 1.432 -16.683 3.680 1.00 0.00 C ATOM 1092 O GLU A 72 2.376 -17.145 4.320 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.804 -17.606 4.329 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.482 -17.899 5.657 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.565 -18.608 6.634 1.00 0.00 C ATOM 1096 OE1 GLU A 72 0.536 -18.084 6.903 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -0.948 -19.689 7.131 1.00 0.00 O ATOM 0 H GLU A 72 -1.470 -15.468 3.313 1.00 0.00 H new ATOM 0 HA GLU A 72 0.304 -16.107 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.568 -17.465 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.213 -18.473 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.826 -16.964 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.366 -18.513 5.482 1.00 0.00 H new ATOM 1104 N GLY A 73 1.497 -16.426 2.378 1.00 0.00 N ATOM 1105 CA GLY A 73 2.714 -16.683 1.631 1.00 0.00 C ATOM 1106 C GLY A 73 3.880 -15.845 2.116 1.00 0.00 C ATOM 1107 O GLY A 73 5.006 -16.333 2.210 1.00 0.00 O ATOM 0 H GLY A 73 0.728 -16.044 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.971 -17.739 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.538 -16.479 0.575 1.00 0.00 H new ATOM 1111 N LYS A 74 3.611 -14.581 2.424 1.00 0.00 N ATOM 1112 CA LYS A 74 4.647 -13.673 2.901 1.00 0.00 C ATOM 1113 C LYS A 74 4.530 -13.455 4.408 1.00 0.00 C ATOM 1114 O LYS A 74 3.444 -13.571 4.977 1.00 0.00 O ATOM 1115 CB LYS A 74 4.556 -12.332 2.172 1.00 0.00 C ATOM 1116 CG LYS A 74 4.783 -12.438 0.673 1.00 0.00 C ATOM 1117 CD LYS A 74 5.075 -11.079 0.056 1.00 0.00 C ATOM 1118 CE LYS A 74 6.130 -11.178 -1.034 1.00 0.00 C ATOM 1119 NZ LYS A 74 7.020 -9.984 -1.057 1.00 0.00 N ATOM 0 H LYS A 74 2.684 -14.162 2.352 1.00 0.00 H new ATOM 0 HA LYS A 74 5.616 -14.127 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.573 -11.896 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.291 -11.647 2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.615 -13.114 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.902 -12.872 0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.158 -10.663 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.414 -10.392 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.730 -12.075 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.642 -11.285 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.725 -10.091 -1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.452 -9.131 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.506 -9.895 -0.142 1.00 0.00 H new ATOM 1133 N PRO A 75 5.651 -13.134 5.076 1.00 0.00 N ATOM 1134 CA PRO A 75 5.668 -12.901 6.523 1.00 0.00 C ATOM 1135 C PRO A 75 4.628 -11.873 6.955 1.00 0.00 C ATOM 1136 O PRO A 75 4.051 -11.172 6.124 1.00 0.00 O ATOM 1137 CB PRO A 75 7.080 -12.373 6.784 1.00 0.00 C ATOM 1138 CG PRO A 75 7.901 -12.915 5.667 1.00 0.00 C ATOM 1139 CD PRO A 75 6.988 -12.976 4.474 1.00 0.00 C ATOM 0 HA PRO A 75 5.427 -13.805 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.099 -11.283 6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.456 -12.709 7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.761 -12.275 5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.289 -13.903 5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.053 -12.070 3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.236 -13.812 3.820 1.00 0.00 H new ATOM 1147 N LEU A 76 4.395 -11.786 8.261 1.00 0.00 N ATOM 1148 CA LEU A 76 3.424 -10.843 8.803 1.00 0.00 C ATOM 1149 C LEU A 76 3.862 -9.405 8.546 1.00 0.00 C ATOM 1150 O LEU A 76 3.054 -8.557 8.167 1.00 0.00 O ATOM 1151 CB LEU A 76 3.242 -11.072 10.304 1.00 0.00 C ATOM 1152 CG LEU A 76 1.922 -10.559 10.883 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.653 -11.188 12.241 1.00 0.00 C ATOM 1154 CD2 LEU A 76 1.944 -9.042 10.991 1.00 0.00 C ATOM 0 H LEU A 76 4.865 -12.357 8.963 1.00 0.00 H new ATOM 0 HA LEU A 76 2.472 -11.010 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.318 -12.141 10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.064 -10.589 10.832 1.00 0.00 H new ATOM 0 HG LEU A 76 1.115 -10.845 10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.710 -10.811 12.636 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.595 -12.271 12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.461 -10.934 12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.998 -8.693 11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.761 -8.736 11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.089 -8.609 10.001 1.00 0.00 H new ATOM 1166 N LEU A 77 5.147 -9.137 8.757 1.00 0.00 N ATOM 1167 CA LEU A 77 5.694 -7.801 8.547 1.00 0.00 C ATOM 1168 C LEU A 77 5.641 -7.417 7.072 1.00 0.00 C ATOM 1169 O LEU A 77 5.452 -6.250 6.730 1.00 0.00 O ATOM 1170 CB LEU A 77 7.136 -7.731 9.054 1.00 0.00 C ATOM 1171 CG LEU A 77 8.101 -8.722 8.401 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.464 -8.081 8.189 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.227 -9.979 9.249 1.00 0.00 C ATOM 0 H LEU A 77 5.829 -9.827 9.073 1.00 0.00 H new ATOM 0 HA LEU A 77 5.085 -7.094 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.513 -6.721 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.135 -7.904 10.130 1.00 0.00 H new ATOM 0 HG LEU A 77 7.700 -9.002 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.137 -8.802 7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.360 -7.211 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.874 -7.771 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.917 -10.673 8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.605 -9.715 10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.249 -10.450 9.349 1.00 0.00 H new ATOM 1185 N GLN A 78 5.809 -8.408 6.202 1.00 0.00 N ATOM 1186 CA GLN A 78 5.781 -8.174 4.763 1.00 0.00 C ATOM 1187 C GLN A 78 4.399 -7.707 4.314 1.00 0.00 C ATOM 1188 O GLN A 78 4.271 -6.958 3.346 1.00 0.00 O ATOM 1189 CB GLN A 78 6.171 -9.447 4.010 1.00 0.00 C ATOM 1190 CG GLN A 78 6.692 -9.188 2.606 1.00 0.00 C ATOM 1191 CD GLN A 78 7.882 -8.249 2.590 1.00 0.00 C ATOM 1192 OE1 GLN A 78 7.727 -7.031 2.673 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.079 -8.814 2.483 1.00 0.00 N ATOM 0 H GLN A 78 5.966 -9.380 6.468 1.00 0.00 H new ATOM 0 HA GLN A 78 6.502 -7.389 4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.934 -9.977 4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.304 -10.104 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.975 -10.135 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.892 -8.765 1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.160 -9.829 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.917 -8.233 2.467 1.00 0.00 H new ATOM 1202 N ARG A 79 3.369 -8.153 5.025 1.00 0.00 N ATOM 1203 CA ARG A 79 1.996 -7.782 4.700 1.00 0.00 C ATOM 1204 C ARG A 79 1.814 -6.268 4.756 1.00 0.00 C ATOM 1205 O ARG A 79 1.393 -5.647 3.779 1.00 0.00 O ATOM 1206 CB ARG A 79 1.021 -8.460 5.664 1.00 0.00 C ATOM 1207 CG ARG A 79 1.319 -9.933 5.895 1.00 0.00 C ATOM 1208 CD ARG A 79 0.136 -10.648 6.527 1.00 0.00 C ATOM 1209 NE ARG A 79 0.395 -12.073 6.718 1.00 0.00 N ATOM 1210 CZ ARG A 79 -0.445 -12.904 7.331 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -1.599 -12.457 7.812 1.00 0.00 N ATOM 1212 NH2 ARG A 79 -0.131 -14.186 7.461 1.00 0.00 N ATOM 0 H ARG A 79 3.459 -8.772 5.831 1.00 0.00 H new ATOM 0 HA ARG A 79 1.786 -8.118 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.047 -7.938 6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.008 -8.360 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.568 -10.408 4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.192 -10.032 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.093 -10.189 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.744 -10.521 5.896 1.00 0.00 H new ATOM 0 HE ARG A 79 1.271 -12.454 6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.846 -11.472 7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.239 -13.098 8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.754 -14.534 7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.774 -14.823 7.931 1.00 0.00 H new ATOM 1226 N HIS A 80 2.132 -5.681 5.905 1.00 0.00 N ATOM 1227 CA HIS A 80 2.004 -4.240 6.089 1.00 0.00 C ATOM 1228 C HIS A 80 2.877 -3.484 5.092 1.00 0.00 C ATOM 1229 O HIS A 80 2.513 -2.404 4.626 1.00 0.00 O ATOM 1230 CB HIS A 80 2.386 -3.851 7.517 1.00 0.00 C ATOM 1231 CG HIS A 80 1.635 -4.612 8.565 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.134 -4.843 9.830 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.414 -5.197 8.532 1.00 0.00 C ATOM 1234 CE1 HIS A 80 1.253 -5.537 10.529 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.202 -5.764 9.764 1.00 0.00 N ATOM 0 H HIS A 80 2.480 -6.181 6.723 1.00 0.00 H new ATOM 0 HA HIS A 80 0.963 -3.968 5.912 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.455 -4.015 7.656 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.206 -2.785 7.655 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.266 -5.214 7.693 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.373 -5.863 11.552 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.634 -6.278 10.043 1.00 0.00 H new ATOM 1244 N ARG A 81 4.032 -4.057 4.770 1.00 0.00 N ATOM 1245 CA ARG A 81 4.957 -3.437 3.829 1.00 0.00 C ATOM 1246 C ARG A 81 4.399 -3.477 2.410 1.00 0.00 C ATOM 1247 O ARG A 81 4.667 -2.588 1.601 1.00 0.00 O ATOM 1248 CB ARG A 81 6.314 -4.143 3.876 1.00 0.00 C ATOM 1249 CG ARG A 81 7.496 -3.196 3.743 1.00 0.00 C ATOM 1250 CD ARG A 81 8.693 -3.885 3.108 1.00 0.00 C ATOM 1251 NE ARG A 81 9.828 -2.979 2.954 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.852 -3.206 2.133 1.00 0.00 C ATOM 1253 NH1 ARG A 81 10.886 -4.307 1.393 1.00 0.00 N ATOM 1254 NH2 ARG A 81 11.843 -2.329 2.053 1.00 0.00 N ATOM 0 H ARG A 81 4.350 -4.950 5.147 1.00 0.00 H new ATOM 0 HA ARG A 81 5.087 -2.394 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.399 -4.687 4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.358 -4.881 3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.208 -2.335 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.773 -2.817 4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.989 -4.736 3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.409 -4.279 2.132 1.00 0.00 H new ATOM 0 HE ARG A 81 9.837 -2.122 3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.126 -4.984 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.673 -4.476 0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.821 -1.481 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.628 -2.502 1.425 1.00 0.00 H new ATOM 1268 N LEU A 82 3.622 -4.513 2.113 1.00 0.00 N ATOM 1269 CA LEU A 82 3.026 -4.669 0.793 1.00 0.00 C ATOM 1270 C LEU A 82 2.010 -3.565 0.520 1.00 0.00 C ATOM 1271 O LEU A 82 2.050 -2.914 -0.525 1.00 0.00 O ATOM 1272 CB LEU A 82 2.354 -6.039 0.671 1.00 0.00 C ATOM 1273 CG LEU A 82 3.256 -7.157 0.147 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.599 -8.513 0.356 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.575 -6.938 -1.324 1.00 0.00 C ATOM 0 H LEU A 82 3.390 -5.258 2.770 1.00 0.00 H new ATOM 0 HA LEU A 82 3.822 -4.596 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.973 -6.329 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.493 -5.947 0.009 1.00 0.00 H new ATOM 0 HG LEU A 82 4.191 -7.138 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.255 -9.297 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.421 -8.671 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.650 -8.544 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.218 -7.743 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.650 -6.931 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.087 -5.983 -1.447 1.00 0.00 H new ATOM 1287 N VAL A 83 1.100 -3.358 1.466 1.00 0.00 N ATOM 1288 CA VAL A 83 0.073 -2.333 1.329 1.00 0.00 C ATOM 1289 C VAL A 83 0.696 -0.949 1.172 1.00 0.00 C ATOM 1290 O VAL A 83 0.179 -0.104 0.441 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.876 -2.321 2.542 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.051 -1.388 2.292 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.360 -3.728 2.854 1.00 0.00 C ATOM 0 H VAL A 83 1.053 -3.887 2.337 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.498 -2.576 0.433 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.326 -1.950 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.710 -1.393 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.683 -0.376 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.603 -1.725 1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.029 -3.700 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.893 -4.129 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.505 -4.365 3.080 1.00 0.00 H new ATOM 1303 N ASN A 84 1.808 -0.724 1.864 1.00 0.00 N ATOM 1304 CA ASN A 84 2.501 0.557 1.801 1.00 0.00 C ATOM 1305 C ASN A 84 3.133 0.768 0.429 1.00 0.00 C ATOM 1306 O ASN A 84 3.128 1.877 -0.104 1.00 0.00 O ATOM 1307 CB ASN A 84 3.576 0.632 2.888 1.00 0.00 C ATOM 1308 CG ASN A 84 2.985 0.778 4.276 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.900 1.335 4.447 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.698 0.278 5.279 1.00 0.00 N ATOM 0 H ASN A 84 2.248 -1.412 2.475 1.00 0.00 H new ATOM 0 HA ASN A 84 1.768 1.347 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.190 -0.268 2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.235 1.476 2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.351 0.348 6.236 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.592 -0.176 5.092 1.00 0.00 H new ATOM 1317 N GLU A 85 3.678 -0.305 -0.137 1.00 0.00 N ATOM 1318 CA GLU A 85 4.314 -0.238 -1.448 1.00 0.00 C ATOM 1319 C GLU A 85 3.302 0.134 -2.526 1.00 0.00 C ATOM 1320 O GLU A 85 3.584 0.950 -3.403 1.00 0.00 O ATOM 1321 CB GLU A 85 4.971 -1.576 -1.787 1.00 0.00 C ATOM 1322 CG GLU A 85 6.253 -1.839 -1.014 1.00 0.00 C ATOM 1323 CD GLU A 85 7.331 -2.473 -1.871 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.607 -1.943 -2.967 1.00 0.00 O ATOM 1325 OE2 GLU A 85 7.899 -3.502 -1.446 1.00 0.00 O ATOM 0 H GLU A 85 3.692 -1.230 0.292 1.00 0.00 H new ATOM 0 HA GLU A 85 5.080 0.536 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.263 -2.380 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.188 -1.604 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.625 -0.900 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.036 -2.492 -0.168 1.00 0.00 H new ATOM 1332 N CYS A 86 2.120 -0.471 -2.455 1.00 0.00 N ATOM 1333 CA CYS A 86 1.065 -0.205 -3.426 1.00 0.00 C ATOM 1334 C CYS A 86 0.674 1.270 -3.414 1.00 0.00 C ATOM 1335 O CYS A 86 0.732 1.946 -4.440 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.159 -1.073 -3.130 1.00 0.00 C ATOM 1337 SG CYS A 86 -1.008 -1.678 -4.608 1.00 0.00 S ATOM 0 H CYS A 86 1.869 -1.149 -1.735 1.00 0.00 H new ATOM 0 HA CYS A 86 1.446 -0.453 -4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.151 -1.926 -2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.863 -0.497 -2.529 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.028 -2.404 -4.256 1.00 0.00 H new ATOM 1343 N LEU A 87 0.277 1.761 -2.244 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.123 3.155 -2.097 1.00 0.00 C ATOM 1345 C LEU A 87 1.016 3.990 -1.521 1.00 0.00 C ATOM 1346 O LEU A 87 0.799 4.854 -0.671 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.356 3.262 -1.196 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.403 2.166 -1.398 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.414 2.179 -0.262 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.102 2.338 -2.738 1.00 0.00 C ATOM 0 H LEU A 87 0.224 1.214 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.369 3.542 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.030 3.244 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.828 4.230 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.897 1.201 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.152 1.393 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.900 2.008 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.916 3.146 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.844 1.550 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.596 3.309 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.368 2.279 -3.542 1.00 0.00 H new ATOM 1362 N ALA A 88 2.231 3.727 -1.991 1.00 0.00 N ATOM 1363 CA ALA A 88 3.405 4.452 -1.523 1.00 0.00 C ATOM 1364 C ALA A 88 3.309 5.935 -1.866 1.00 0.00 C ATOM 1365 O ALA A 88 3.563 6.795 -1.023 1.00 0.00 O ATOM 1366 CB ALA A 88 4.669 3.852 -2.121 1.00 0.00 C ATOM 0 H ALA A 88 2.428 3.017 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 88 3.449 4.359 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.538 4.404 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.753 2.807 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.622 3.915 -3.208 1.00 0.00 H new ATOM 1372 N GLU A 89 2.944 6.228 -3.110 1.00 0.00 N ATOM 1373 CA GLU A 89 2.816 7.608 -3.565 1.00 0.00 C ATOM 1374 C GLU A 89 1.546 8.251 -3.014 1.00 0.00 C ATOM 1375 O GLU A 89 1.533 9.437 -2.683 1.00 0.00 O ATOM 1376 CB GLU A 89 2.806 7.664 -5.094 1.00 0.00 C ATOM 1377 CG GLU A 89 4.001 6.977 -5.735 1.00 0.00 C ATOM 1378 CD GLU A 89 3.817 6.755 -7.223 1.00 0.00 C ATOM 1379 OE1 GLU A 89 2.861 6.048 -7.604 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.629 7.289 -8.007 1.00 0.00 O ATOM 0 H GLU A 89 2.732 5.528 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 89 3.675 8.166 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.891 7.199 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.783 8.707 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.894 7.580 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.169 6.017 -5.246 1.00 0.00 H new ATOM 1387 N GLU A 90 0.480 7.463 -2.923 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.797 7.954 -2.416 1.00 0.00 C ATOM 1389 C GLU A 90 -0.772 8.114 -0.897 1.00 0.00 C ATOM 1390 O GLU A 90 -1.468 8.965 -0.344 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.926 7.002 -2.818 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.349 7.140 -4.272 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.185 7.009 -5.234 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.395 6.052 -5.084 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.061 7.864 -6.136 1.00 0.00 O ATOM 0 H GLU A 90 0.475 6.480 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.974 8.935 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.606 5.976 -2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.789 7.185 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.094 6.379 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.828 8.109 -4.417 1.00 0.00 H new ATOM 1402 N LEU A 91 0.025 7.286 -0.228 1.00 0.00 N ATOM 1403 CA LEU A 91 0.132 7.329 1.229 1.00 0.00 C ATOM 1404 C LEU A 91 0.345 8.757 1.738 1.00 0.00 C ATOM 1405 O LEU A 91 -0.441 9.258 2.541 1.00 0.00 O ATOM 1406 CB LEU A 91 1.273 6.425 1.707 1.00 0.00 C ATOM 1407 CG LEU A 91 0.833 5.078 2.286 1.00 0.00 C ATOM 1408 CD1 LEU A 91 2.031 4.317 2.831 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.212 5.281 3.374 1.00 0.00 C ATOM 0 H LEU A 91 0.608 6.576 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.810 6.965 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.946 6.241 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.846 6.959 2.465 1.00 0.00 H new ATOM 0 HG LEU A 91 0.385 4.488 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.700 3.362 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.746 4.141 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.507 4.902 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.513 4.313 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.209 5.889 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.082 5.786 2.954 1.00 0.00 H new ATOM 1421 N PRO A 92 1.415 9.430 1.280 1.00 0.00 N ATOM 1422 CA PRO A 92 1.723 10.801 1.697 1.00 0.00 C ATOM 1423 C PRO A 92 0.494 11.706 1.696 1.00 0.00 C ATOM 1424 O PRO A 92 0.378 12.612 2.520 1.00 0.00 O ATOM 1425 CB PRO A 92 2.728 11.263 0.644 1.00 0.00 C ATOM 1426 CG PRO A 92 3.423 10.017 0.215 1.00 0.00 C ATOM 1427 CD PRO A 92 2.410 8.906 0.324 1.00 0.00 C ATOM 0 HA PRO A 92 2.098 10.843 2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.228 11.747 -0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.431 11.987 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.790 10.109 -0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.288 9.817 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.957 8.681 -0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.865 7.984 0.685 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.422 11.454 0.766 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.642 12.247 0.660 1.00 0.00 C ATOM 1437 C HIS A 93 -2.626 11.883 1.768 1.00 0.00 C ATOM 1438 O HIS A 93 -3.403 12.722 2.222 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.296 12.037 -0.706 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.457 12.515 -1.851 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.576 13.777 -2.395 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.481 11.895 -2.555 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.711 13.910 -3.385 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.034 12.783 -3.501 1.00 0.00 N ATOM 0 H HIS A 93 -0.343 10.708 0.075 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.372 13.297 0.768 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.508 10.976 -0.839 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.253 12.558 -0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.121 10.889 -2.401 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.580 14.791 -3.996 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.702 12.601 -4.183 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.586 10.626 2.198 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.474 10.149 3.252 1.00 0.00 C ATOM 1455 C ILE A 94 -3.021 10.646 4.620 1.00 0.00 C ATOM 1456 O ILE A 94 -1.894 10.387 5.043 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.540 8.609 3.278 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.764 8.058 1.869 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.644 8.143 4.216 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.101 8.444 1.273 1.00 0.00 C ATOM 0 H ILE A 94 -1.948 9.919 1.833 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.465 10.546 3.032 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.588 8.227 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.968 8.417 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.688 6.971 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.679 7.054 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.443 8.507 5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.602 8.534 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.190 8.018 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.904 8.062 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.173 9.530 1.213 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.906 11.357 5.310 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.596 11.886 6.633 1.00 0.00 C ATOM 1474 C HIS A 95 -3.614 10.774 7.676 1.00 0.00 C ATOM 1475 O HIS A 95 -2.870 10.814 8.655 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.597 12.978 7.017 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.226 13.714 8.267 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -4.948 13.618 9.438 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -3.203 14.562 8.526 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -4.386 14.376 10.364 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.325 14.958 9.835 1.00 0.00 N ATOM 0 H HIS A 95 -4.843 11.580 4.975 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.595 12.317 6.601 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.679 13.690 6.196 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.581 12.528 7.148 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.434 14.870 7.832 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.735 14.498 11.379 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.697 15.599 10.321 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.468 9.778 7.455 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.584 8.651 8.371 1.00 0.00 C ATOM 1492 C ALA A 96 -4.987 7.384 7.625 1.00 0.00 C ATOM 1493 O ALA A 96 -6.042 7.332 6.992 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.588 8.965 9.470 1.00 0.00 C ATOM 0 H ALA A 96 -5.090 9.730 6.648 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.609 8.479 8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.664 8.114 10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.257 9.842 10.026 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.563 9.164 9.026 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.139 6.363 7.700 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.408 5.097 7.029 1.00 0.00 C ATOM 1502 C PHE A 97 -4.208 3.920 7.979 1.00 0.00 C ATOM 1503 O PHE A 97 -3.321 3.942 8.833 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.498 4.941 5.809 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.884 3.800 4.912 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.723 2.489 5.329 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.410 4.038 3.653 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.078 1.437 4.506 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.767 2.991 2.825 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.600 1.688 3.253 1.00 0.00 C ATOM 0 H PHE A 97 -3.261 6.388 8.218 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.448 5.103 6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.515 5.866 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.472 4.795 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.315 2.287 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.543 5.055 3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.947 0.419 4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.176 3.191 1.845 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.877 0.867 2.608 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.038 2.894 7.823 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.954 1.707 8.664 1.00 0.00 C ATOM 1522 C GLU A 98 -4.957 0.440 7.814 1.00 0.00 C ATOM 1523 O GLU A 98 -5.905 0.180 7.073 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.119 1.673 9.655 1.00 0.00 C ATOM 1525 CG GLU A 98 -6.086 0.478 10.594 1.00 0.00 C ATOM 1526 CD GLU A 98 -6.491 0.838 12.010 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -5.858 1.740 12.597 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -7.441 0.217 12.530 1.00 0.00 O ATOM 0 H GLU A 98 -5.777 2.861 7.121 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.017 1.750 9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.109 2.589 10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.057 1.662 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.753 -0.296 10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.081 0.056 10.604 1.00 0.00 H new ATOM 1535 N GLN A 99 -3.890 -0.345 7.925 1.00 0.00 N ATOM 1536 CA GLN A 99 -3.771 -1.583 7.166 1.00 0.00 C ATOM 1537 C GLN A 99 -4.121 -2.790 8.029 1.00 0.00 C ATOM 1538 O GLN A 99 -3.564 -2.975 9.111 1.00 0.00 O ATOM 1539 CB GLN A 99 -2.352 -1.733 6.613 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.861 -0.507 5.859 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.371 -0.282 6.021 1.00 0.00 C ATOM 1542 OE1 GLN A 99 0.065 0.791 6.439 1.00 0.00 O ATOM 1543 NE2 GLN A 99 0.421 -1.295 5.689 1.00 0.00 N ATOM 0 H GLN A 99 -3.096 -0.145 8.533 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.476 -1.537 6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.670 -1.940 7.437 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.319 -2.596 5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.095 -0.618 4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.398 0.373 6.214 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.017 -2.167 5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.433 -1.201 5.776 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.049 -3.610 7.543 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.474 -4.800 8.270 1.00 0.00 C ATOM 1554 C LYS A 100 -5.392 -6.036 7.380 1.00 0.00 C ATOM 1555 O LYS A 100 -6.044 -6.107 6.338 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.902 -4.624 8.788 1.00 0.00 C ATOM 1557 CG LYS A 100 -7.392 -5.791 9.629 1.00 0.00 C ATOM 1558 CD LYS A 100 -8.366 -5.334 10.703 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.645 -4.973 11.993 1.00 0.00 C ATOM 1560 NZ LYS A 100 -6.732 -3.811 11.812 1.00 0.00 N ATOM 0 H LYS A 100 -5.520 -3.471 6.649 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.803 -4.938 9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.954 -3.712 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.574 -4.491 7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.876 -6.526 8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.541 -6.287 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.926 -4.470 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.090 -6.125 10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.378 -4.742 12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.073 -5.833 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.431 -3.458 12.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.897 -4.107 11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.230 -3.055 11.300 1.00 0.00 H new ATOM 1574 N THR A 101 -4.587 -7.007 7.797 1.00 0.00 N ATOM 1575 CA THR A 101 -4.419 -8.240 7.036 1.00 0.00 C ATOM 1576 C THR A 101 -4.602 -9.462 7.931 1.00 0.00 C ATOM 1577 O THR A 101 -3.994 -9.560 8.998 1.00 0.00 O ATOM 1578 CB THR A 101 -3.037 -8.276 6.382 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.032 -8.539 7.345 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.674 -6.986 5.680 1.00 0.00 C ATOM 0 H THR A 101 -4.041 -6.964 8.657 1.00 0.00 H new ATOM 0 HA THR A 101 -5.183 -8.264 6.259 1.00 0.00 H new ATOM 0 HB THR A 101 -3.090 -9.073 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.438 -8.945 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.682 -7.079 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.403 -6.781 4.896 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.675 -6.167 6.400 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.441 -10.392 7.488 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.704 -11.610 8.247 1.00 0.00 C ATOM 1590 C LEU A 102 -6.044 -12.767 7.315 1.00 0.00 C ATOM 1591 O LEU A 102 -6.390 -12.560 6.152 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.850 -11.381 9.237 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.415 -11.085 10.674 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.628 -10.960 11.583 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.478 -12.172 11.181 1.00 0.00 C ATOM 0 H LEU A 102 -5.951 -10.326 6.607 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.801 -11.867 8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.458 -10.550 8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.488 -12.265 9.241 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.879 -10.136 10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.300 -10.750 12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.264 -10.148 11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.191 -11.893 11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.178 -11.946 12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.990 -13.134 11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.594 -12.216 10.545 1.00 0.00 H new ATOM 1607 N THR A 103 -5.943 -13.987 7.834 1.00 0.00 N ATOM 1608 CA THR A 103 -6.241 -15.178 7.048 1.00 0.00 C ATOM 1609 C THR A 103 -7.739 -15.473 7.053 1.00 0.00 C ATOM 1610 O THR A 103 -8.476 -14.965 7.899 1.00 0.00 O ATOM 1611 CB THR A 103 -5.471 -16.381 7.594 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.261 -16.251 8.989 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.118 -16.572 6.943 1.00 0.00 C ATOM 0 H THR A 103 -5.657 -14.176 8.795 1.00 0.00 H new ATOM 0 HA THR A 103 -5.929 -14.992 6.020 1.00 0.00 H new ATOM 0 HB THR A 103 -6.092 -17.248 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.768 -17.031 9.320 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.625 -17.442 7.377 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.248 -16.725 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.505 -15.687 7.111 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.210 -16.301 6.106 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.629 -16.660 6.008 1.00 0.00 C ATOM 1623 C PRO A 104 -10.092 -17.510 7.187 1.00 0.00 C ATOM 1624 O PRO A 104 -11.173 -17.292 7.734 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.707 -17.463 4.706 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.330 -17.993 4.502 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.401 -16.951 5.059 1.00 0.00 C ATOM 0 HA PRO A 104 -10.273 -15.781 6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.434 -18.271 4.783 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.016 -16.834 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.199 -18.947 5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.132 -18.168 3.445 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.495 -17.398 5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.088 -16.241 4.294 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.267 -18.477 7.572 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.592 -19.359 8.687 1.00 0.00 C ATOM 1637 C GLU A 105 -9.772 -18.561 9.976 1.00 0.00 C ATOM 1638 O GLU A 105 -10.666 -18.845 10.773 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.493 -20.409 8.869 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.900 -21.799 8.405 1.00 0.00 C ATOM 1641 CD GLU A 105 -9.250 -22.719 9.557 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -8.499 -22.734 10.555 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -10.275 -23.426 9.461 1.00 0.00 O ATOM 0 H GLU A 105 -8.369 -18.670 7.129 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.531 -19.863 8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.607 -20.095 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.214 -20.453 9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.757 -21.718 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.086 -22.238 7.828 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.917 -17.563 10.173 1.00 0.00 N ATOM 1651 CA GLN A 106 -8.983 -16.724 11.364 1.00 0.00 C ATOM 1652 C GLN A 106 -10.244 -15.866 11.355 1.00 0.00 C ATOM 1653 O GLN A 106 -10.989 -15.829 12.334 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.745 -15.829 11.452 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.490 -16.569 11.888 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.140 -16.316 13.342 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -6.933 -16.595 14.241 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -4.947 -15.784 13.578 1.00 0.00 N ATOM 0 H GLN A 106 -8.170 -17.316 9.523 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.014 -17.377 12.237 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.568 -15.371 10.479 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.942 -15.019 12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.631 -17.639 11.733 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.655 -16.263 11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.322 -15.569 12.801 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.655 -15.590 14.536 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.476 -15.176 10.242 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.648 -14.319 10.105 1.00 0.00 C ATOM 1669 C TRP A 107 -12.935 -15.122 10.262 1.00 0.00 C ATOM 1670 O TRP A 107 -13.947 -14.604 10.734 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.635 -13.615 8.750 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.157 -12.214 8.816 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.446 -11.814 8.622 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.406 -11.031 9.102 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.543 -10.451 8.762 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.303 -9.947 9.058 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.063 -10.783 9.390 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.898 -8.635 9.291 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.661 -9.480 9.621 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.576 -8.421 9.571 1.00 0.00 C ATOM 0 H TRP A 107 -9.868 -15.194 9.423 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.612 -13.570 10.896 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.616 -13.600 8.364 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.235 -14.188 8.043 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.270 -12.473 8.392 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.398 -9.903 8.662 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.351 -11.594 9.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.602 -7.817 9.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.624 -9.276 9.844 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.231 -7.415 9.757 1.00 0.00 H new ATOM 1691 N THR A 108 -12.889 -16.390 9.865 1.00 0.00 N ATOM 1692 CA THR A 108 -14.051 -17.264 9.963 1.00 0.00 C ATOM 1693 C THR A 108 -14.510 -17.399 11.411 1.00 0.00 C ATOM 1694 O THR A 108 -15.702 -17.535 11.686 1.00 0.00 O ATOM 1695 CB THR A 108 -13.725 -18.641 9.386 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.302 -18.534 8.039 1.00 0.00 O ATOM 1697 CG2 THR A 108 -14.895 -19.598 9.425 1.00 0.00 C ATOM 0 H THR A 108 -12.059 -16.834 9.472 1.00 0.00 H new ATOM 0 HA THR A 108 -14.862 -16.819 9.386 1.00 0.00 H new ATOM 0 HB THR A 108 -12.931 -19.038 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.323 -18.523 8.004 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.596 -20.556 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.213 -19.742 10.458 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.721 -19.187 8.845 1.00 0.00 H new