USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=11 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 103 THR OG1 : rot -84:sc= 0.785 USER MOD Set 1.2: A 106 GLN : amide:sc= -3.06! C(o=-2.3!,f=-2.6!) USER MOD Set 2.1: A 84 ASN : amide:sc= -1.4 K(o=-1.8,f=-6.2!) USER MOD Set 2.2: A 99 GLN : amide:sc= -0.447 X(o=-1.8,f=-2.2) USER MOD Single : A 31 SER OG : rot 22:sc= 0.311 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.34) USER MOD Single : A 61 SER OG : rot 30:sc= 0.128 USER MOD Single : A 68 SER OG : rot 150:sc= -0.59 USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= -0.0303 (180deg=-0.655) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.77 F(o=-1.9!,f=-0.77) USER MOD Single : A 86 CYS SG : rot 180:sc= -1.72 USER MOD Single : A 93 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0.034) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.174) USER MOD Single : A 101 THR OG1 : rot -90:sc= -1.02 USER MOD Single : A 108 THR OG1 : rot 74:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.231 7.744 -3.133 1.00 0.00 N ATOM 428 CA SER A 31 -10.595 7.259 -2.964 1.00 0.00 C ATOM 429 C SER A 31 -10.614 5.956 -2.171 1.00 0.00 C ATOM 430 O SER A 31 -9.629 5.217 -2.147 1.00 0.00 O ATOM 431 CB SER A 31 -11.257 7.048 -4.327 1.00 0.00 C ATOM 432 OG SER A 31 -10.958 8.116 -5.210 1.00 0.00 O ATOM 0 HA SER A 31 -11.155 8.011 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.915 6.108 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.337 6.967 -4.202 1.00 0.00 H new ATOM 0 HG SER A 31 -10.141 8.567 -4.913 1.00 0.00 H new ATOM 438 N ALA A 32 -11.741 5.680 -1.522 1.00 0.00 N ATOM 439 CA ALA A 32 -11.887 4.467 -0.726 1.00 0.00 C ATOM 440 C ALA A 32 -11.910 3.227 -1.615 1.00 0.00 C ATOM 441 O ALA A 32 -11.099 2.316 -1.449 1.00 0.00 O ATOM 442 CB ALA A 32 -13.150 4.542 0.119 1.00 0.00 C ATOM 0 H ALA A 32 -12.566 6.280 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.025 4.388 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.248 3.631 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.091 5.402 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.018 4.648 -0.532 1.00 0.00 H new ATOM 448 N ASP A 33 -12.846 3.200 -2.559 1.00 0.00 N ATOM 449 CA ASP A 33 -12.977 2.071 -3.473 1.00 0.00 C ATOM 450 C ASP A 33 -11.697 1.873 -4.281 1.00 0.00 C ATOM 451 O ASP A 33 -11.351 0.751 -4.647 1.00 0.00 O ATOM 452 CB ASP A 33 -14.160 2.287 -4.418 1.00 0.00 C ATOM 453 CG ASP A 33 -14.516 1.036 -5.196 1.00 0.00 C ATOM 454 OD1 ASP A 33 -14.734 -0.017 -4.560 1.00 0.00 O ATOM 455 OD2 ASP A 33 -14.576 1.107 -6.441 1.00 0.00 O ATOM 0 H ASP A 33 -13.524 3.947 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.154 1.174 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.027 2.612 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.922 3.090 -5.116 1.00 0.00 H new ATOM 460 N TYR A 34 -11.000 2.972 -4.554 1.00 0.00 N ATOM 461 CA TYR A 34 -9.759 2.919 -5.317 1.00 0.00 C ATOM 462 C TYR A 34 -8.721 2.053 -4.611 1.00 0.00 C ATOM 463 O TYR A 34 -8.228 1.075 -5.172 1.00 0.00 O ATOM 464 CB TYR A 34 -9.206 4.329 -5.529 1.00 0.00 C ATOM 465 CG TYR A 34 -7.932 4.366 -6.344 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.885 3.817 -7.620 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.778 4.949 -5.838 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.724 3.848 -8.367 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.612 4.985 -6.580 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.591 4.433 -7.844 1.00 0.00 C ATOM 471 OH TYR A 34 -4.432 4.466 -8.586 1.00 0.00 O ATOM 0 H TYR A 34 -11.274 3.909 -4.258 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.977 2.472 -6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.963 4.936 -6.026 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.019 4.786 -4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.771 3.359 -8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.791 5.382 -4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.704 3.416 -9.357 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.723 5.443 -6.172 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.728 4.914 -8.073 1.00 0.00 H new ATOM 481 N LEU A 35 -8.393 2.420 -3.376 1.00 0.00 N ATOM 482 CA LEU A 35 -7.414 1.677 -2.592 1.00 0.00 C ATOM 483 C LEU A 35 -7.881 0.245 -2.351 1.00 0.00 C ATOM 484 O LEU A 35 -7.068 -0.673 -2.243 1.00 0.00 O ATOM 485 CB LEU A 35 -7.165 2.376 -1.254 1.00 0.00 C ATOM 486 CG LEU A 35 -6.812 3.862 -1.355 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.797 4.501 0.024 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.468 4.043 -2.043 1.00 0.00 C ATOM 0 H LEU A 35 -8.791 3.228 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.483 1.645 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.056 2.271 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.356 1.860 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.575 4.358 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.544 5.557 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.781 4.402 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.055 4.003 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.232 5.105 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.694 3.533 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.513 3.621 -3.047 1.00 0.00 H new ATOM 500 N ARG A 36 -9.194 0.062 -2.266 1.00 0.00 N ATOM 501 CA ARG A 36 -9.769 -1.259 -2.037 1.00 0.00 C ATOM 502 C ARG A 36 -9.622 -2.140 -3.274 1.00 0.00 C ATOM 503 O ARG A 36 -9.007 -3.205 -3.219 1.00 0.00 O ATOM 504 CB ARG A 36 -11.246 -1.136 -1.658 1.00 0.00 C ATOM 505 CG ARG A 36 -11.743 -2.270 -0.776 1.00 0.00 C ATOM 506 CD ARG A 36 -13.253 -2.421 -0.862 1.00 0.00 C ATOM 507 NE ARG A 36 -13.647 -3.447 -1.825 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.859 -3.993 -1.871 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.799 -3.617 -1.013 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.134 -4.920 -2.779 1.00 0.00 N ATOM 0 H ARG A 36 -9.880 0.811 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.227 -1.726 -1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.402 -0.189 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.845 -1.105 -2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.265 -3.202 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.453 -2.082 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.648 -2.676 0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.697 -1.467 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.952 -3.763 -2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.594 -2.905 -0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.726 -4.040 -1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.416 -5.214 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.063 -5.339 -2.815 1.00 0.00 H new ATOM 524 N GLU A 37 -10.189 -1.688 -4.387 1.00 0.00 N ATOM 525 CA GLU A 37 -10.122 -2.434 -5.637 1.00 0.00 C ATOM 526 C GLU A 37 -8.675 -2.643 -6.073 1.00 0.00 C ATOM 527 O GLU A 37 -8.347 -3.644 -6.709 1.00 0.00 O ATOM 528 CB GLU A 37 -10.896 -1.703 -6.735 1.00 0.00 C ATOM 529 CG GLU A 37 -12.377 -1.541 -6.431 1.00 0.00 C ATOM 530 CD GLU A 37 -13.251 -1.765 -7.650 1.00 0.00 C ATOM 531 OE1 GLU A 37 -13.067 -1.043 -8.653 1.00 0.00 O ATOM 532 OE2 GLU A 37 -14.116 -2.664 -7.602 1.00 0.00 O ATOM 0 H GLU A 37 -10.701 -0.808 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.576 -3.411 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.454 -0.718 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.783 -2.248 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.663 -2.245 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.556 -0.540 -6.039 1.00 0.00 H new ATOM 539 N LYS A 38 -7.815 -1.692 -5.726 1.00 0.00 N ATOM 540 CA LYS A 38 -6.403 -1.771 -6.082 1.00 0.00 C ATOM 541 C LYS A 38 -5.703 -2.874 -5.293 1.00 0.00 C ATOM 542 O LYS A 38 -5.160 -3.815 -5.871 1.00 0.00 O ATOM 543 CB LYS A 38 -5.714 -0.430 -5.826 1.00 0.00 C ATOM 544 CG LYS A 38 -4.365 -0.298 -6.514 1.00 0.00 C ATOM 545 CD LYS A 38 -3.589 0.900 -5.992 1.00 0.00 C ATOM 546 CE LYS A 38 -2.675 1.481 -7.059 1.00 0.00 C ATOM 547 NZ LYS A 38 -1.318 0.868 -7.023 1.00 0.00 N ATOM 0 H LYS A 38 -8.071 -0.857 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.336 -2.009 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.366 0.375 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.579 -0.299 -4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.784 -1.206 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.512 -0.197 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.286 1.666 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.996 0.602 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.119 1.323 -8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.590 2.558 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.726 1.291 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.884 1.040 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.395 -0.157 -7.184 1.00 0.00 H new ATOM 561 N LEU A 39 -5.721 -2.750 -3.971 1.00 0.00 N ATOM 562 CA LEU A 39 -5.088 -3.735 -3.101 1.00 0.00 C ATOM 563 C LEU A 39 -5.723 -5.110 -3.283 1.00 0.00 C ATOM 564 O LEU A 39 -5.034 -6.131 -3.261 1.00 0.00 O ATOM 565 CB LEU A 39 -5.195 -3.299 -1.639 1.00 0.00 C ATOM 566 CG LEU A 39 -4.434 -2.021 -1.287 1.00 0.00 C ATOM 567 CD1 LEU A 39 -4.976 -1.414 -0.002 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.945 -2.305 -1.158 1.00 0.00 C ATOM 0 H LEU A 39 -6.167 -1.977 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.035 -3.802 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.248 -3.156 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.828 -4.108 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.578 -1.302 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.422 -0.505 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.031 -1.173 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.863 -2.128 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.419 -1.384 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.782 -3.042 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.565 -2.693 -2.103 1.00 0.00 H new ATOM 580 N ARG A 40 -7.040 -5.129 -3.461 1.00 0.00 N ATOM 581 CA ARG A 40 -7.769 -6.379 -3.646 1.00 0.00 C ATOM 582 C ARG A 40 -7.244 -7.147 -4.844 1.00 0.00 C ATOM 583 O ARG A 40 -6.928 -8.334 -4.745 1.00 0.00 O ATOM 584 CB ARG A 40 -9.265 -6.103 -3.815 1.00 0.00 C ATOM 585 CG ARG A 40 -10.120 -7.359 -3.804 1.00 0.00 C ATOM 586 CD ARG A 40 -11.385 -7.179 -4.629 1.00 0.00 C ATOM 587 NE ARG A 40 -12.207 -8.387 -4.642 1.00 0.00 N ATOM 588 CZ ARG A 40 -13.320 -8.517 -5.361 1.00 0.00 C ATOM 589 NH1 ARG A 40 -13.746 -7.520 -6.124 1.00 0.00 N ATOM 590 NH2 ARG A 40 -14.008 -9.650 -5.316 1.00 0.00 N ATOM 0 H ARG A 40 -7.624 -4.293 -3.481 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.618 -6.990 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.596 -5.441 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.424 -5.573 -4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.544 -8.196 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.386 -7.610 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.966 -6.350 -4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.116 -6.912 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.911 -9.176 -4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.220 -6.647 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.599 -7.626 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.684 -10.420 -4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.861 -9.751 -5.866 1.00 0.00 H new ATOM 604 N GLN A 41 -7.156 -6.472 -5.975 1.00 0.00 N ATOM 605 CA GLN A 41 -6.672 -7.104 -7.190 1.00 0.00 C ATOM 606 C GLN A 41 -5.158 -7.283 -7.149 1.00 0.00 C ATOM 607 O GLN A 41 -4.633 -8.314 -7.570 1.00 0.00 O ATOM 608 CB GLN A 41 -7.073 -6.285 -8.418 1.00 0.00 C ATOM 609 CG GLN A 41 -8.573 -6.240 -8.656 1.00 0.00 C ATOM 610 CD GLN A 41 -8.950 -6.587 -10.084 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.748 -7.715 -10.534 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.499 -5.616 -10.804 1.00 0.00 N ATOM 0 H GLN A 41 -7.412 -5.490 -6.079 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.131 -8.090 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.701 -5.267 -8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.586 -6.704 -9.299 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.066 -6.935 -7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.945 -5.243 -8.418 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.648 -4.696 -10.390 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.772 -5.790 -11.771 1.00 0.00 H new ATOM 621 N ASP A 42 -4.460 -6.273 -6.639 1.00 0.00 N ATOM 622 CA ASP A 42 -3.005 -6.322 -6.544 1.00 0.00 C ATOM 623 C ASP A 42 -2.555 -7.490 -5.673 1.00 0.00 C ATOM 624 O ASP A 42 -1.835 -8.378 -6.130 1.00 0.00 O ATOM 625 CB ASP A 42 -2.465 -5.008 -5.976 1.00 0.00 C ATOM 626 CG ASP A 42 -0.992 -4.811 -6.275 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.155 -5.362 -5.529 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.675 -4.106 -7.256 1.00 0.00 O ATOM 0 H ASP A 42 -4.878 -5.412 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.605 -6.467 -7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.032 -4.175 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.619 -4.991 -4.897 1.00 0.00 H new ATOM 633 N LEU A 43 -2.985 -7.483 -4.415 1.00 0.00 N ATOM 634 CA LEU A 43 -2.627 -8.543 -3.479 1.00 0.00 C ATOM 635 C LEU A 43 -3.445 -9.807 -3.739 1.00 0.00 C ATOM 636 O LEU A 43 -3.052 -10.903 -3.339 1.00 0.00 O ATOM 637 CB LEU A 43 -2.839 -8.074 -2.039 1.00 0.00 C ATOM 638 CG LEU A 43 -1.661 -7.314 -1.425 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.157 -6.263 -0.444 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.705 -8.279 -0.740 1.00 0.00 C ATOM 0 H LEU A 43 -3.581 -6.756 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.573 -8.779 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.721 -7.434 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.054 -8.943 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.122 -6.807 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.306 -5.733 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.802 -5.555 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.720 -6.747 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.127 -7.722 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.232 -8.814 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.324 -8.993 -1.470 1.00 0.00 H new ATOM 652 N GLU A 44 -4.584 -9.648 -4.409 1.00 0.00 N ATOM 653 CA GLU A 44 -5.454 -10.778 -4.718 1.00 0.00 C ATOM 654 C GLU A 44 -6.005 -11.404 -3.441 1.00 0.00 C ATOM 655 O GLU A 44 -5.506 -12.426 -2.973 1.00 0.00 O ATOM 656 CB GLU A 44 -4.695 -11.830 -5.530 1.00 0.00 C ATOM 657 CG GLU A 44 -4.082 -11.286 -6.811 1.00 0.00 C ATOM 658 CD GLU A 44 -3.886 -12.357 -7.865 1.00 0.00 C ATOM 659 OE1 GLU A 44 -2.834 -13.031 -7.837 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.783 -12.523 -8.717 1.00 0.00 O ATOM 0 H GLU A 44 -4.925 -8.748 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.290 -10.408 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.905 -12.254 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.375 -12.644 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.723 -10.501 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.120 -10.826 -6.582 1.00 0.00 H new ATOM 667 N ALA A 45 -7.038 -10.781 -2.883 1.00 0.00 N ATOM 668 CA ALA A 45 -7.659 -11.275 -1.660 1.00 0.00 C ATOM 669 C ALA A 45 -9.055 -11.822 -1.935 1.00 0.00 C ATOM 670 O ALA A 45 -9.608 -11.626 -3.018 1.00 0.00 O ATOM 671 CB ALA A 45 -7.720 -10.170 -0.617 1.00 0.00 C ATOM 0 H ALA A 45 -7.463 -9.933 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.047 -12.091 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.186 -10.552 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.710 -9.827 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.308 -9.337 -1.003 1.00 0.00 H new ATOM 677 N GLU A 46 -9.621 -12.508 -0.948 1.00 0.00 N ATOM 678 CA GLU A 46 -10.954 -13.084 -1.083 1.00 0.00 C ATOM 679 C GLU A 46 -12.029 -12.022 -0.871 1.00 0.00 C ATOM 680 O GLU A 46 -12.879 -11.804 -1.734 1.00 0.00 O ATOM 681 CB GLU A 46 -11.144 -14.225 -0.083 1.00 0.00 C ATOM 682 CG GLU A 46 -10.718 -15.582 -0.620 1.00 0.00 C ATOM 683 CD GLU A 46 -11.432 -16.731 0.066 1.00 0.00 C ATOM 684 OE1 GLU A 46 -11.318 -16.846 1.304 1.00 0.00 O ATOM 685 OE2 GLU A 46 -12.104 -17.515 -0.636 1.00 0.00 O ATOM 0 H GLU A 46 -9.177 -12.679 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.051 -13.478 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.573 -14.005 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.194 -14.272 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.916 -15.623 -1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.642 -15.698 -0.490 1.00 0.00 H new ATOM 692 N HIS A 47 -11.983 -11.365 0.283 1.00 0.00 N ATOM 693 CA HIS A 47 -12.953 -10.325 0.609 1.00 0.00 C ATOM 694 C HIS A 47 -12.253 -9.077 1.138 1.00 0.00 C ATOM 695 O HIS A 47 -11.388 -9.161 2.009 1.00 0.00 O ATOM 696 CB HIS A 47 -13.955 -10.839 1.644 1.00 0.00 C ATOM 697 CG HIS A 47 -15.130 -11.546 1.041 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.698 -11.172 -0.160 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.844 -12.610 1.476 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.710 -11.975 -0.434 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.819 -12.856 0.543 1.00 0.00 N ATOM 0 H HIS A 47 -11.285 -11.534 1.008 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.488 -10.062 -0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.444 -11.518 2.326 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.313 -9.999 2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.677 -13.163 2.389 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.341 -11.920 -1.309 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.515 -13.599 0.596 1.00 0.00 H new ATOM 710 N VAL A 48 -12.634 -7.921 0.605 1.00 0.00 N ATOM 711 CA VAL A 48 -12.043 -6.655 1.023 1.00 0.00 C ATOM 712 C VAL A 48 -13.118 -5.657 1.436 1.00 0.00 C ATOM 713 O VAL A 48 -14.211 -5.635 0.870 1.00 0.00 O ATOM 714 CB VAL A 48 -11.189 -6.037 -0.100 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.928 -6.856 -0.325 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.997 -5.922 -1.384 1.00 0.00 C ATOM 0 H VAL A 48 -13.349 -7.835 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.404 -6.871 1.879 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.892 -5.034 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.338 -6.404 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.341 -6.879 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.200 -7.873 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.377 -5.483 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.327 -6.913 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.866 -5.287 -1.211 1.00 0.00 H new ATOM 726 N GLU A 49 -12.799 -4.829 2.427 1.00 0.00 N ATOM 727 CA GLU A 49 -13.738 -3.827 2.917 1.00 0.00 C ATOM 728 C GLU A 49 -13.024 -2.510 3.205 1.00 0.00 C ATOM 729 O GLU A 49 -12.114 -2.454 4.032 1.00 0.00 O ATOM 730 CB GLU A 49 -14.439 -4.328 4.181 1.00 0.00 C ATOM 731 CG GLU A 49 -15.734 -3.595 4.490 1.00 0.00 C ATOM 732 CD GLU A 49 -16.722 -4.453 5.255 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.858 -5.647 4.915 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.359 -3.932 6.194 1.00 0.00 O ATOM 0 H GLU A 49 -11.898 -4.833 2.905 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.484 -3.654 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.651 -5.392 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.761 -4.223 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.511 -2.700 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.191 -3.265 3.557 1.00 0.00 H new ATOM 741 N VAL A 50 -13.444 -1.453 2.518 1.00 0.00 N ATOM 742 CA VAL A 50 -12.844 -0.136 2.701 1.00 0.00 C ATOM 743 C VAL A 50 -13.788 0.799 3.450 1.00 0.00 C ATOM 744 O VAL A 50 -15.010 0.665 3.363 1.00 0.00 O ATOM 745 CB VAL A 50 -12.466 0.502 1.348 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.703 0.718 0.489 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.720 1.811 1.563 1.00 0.00 C ATOM 0 H VAL A 50 -14.197 -1.482 1.830 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.938 -0.279 3.291 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.804 -0.184 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.413 1.169 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.188 -0.240 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.396 1.380 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.462 2.246 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.354 2.505 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.809 1.622 2.131 1.00 0.00 H new ATOM 757 N GLU A 51 -13.215 1.746 4.186 1.00 0.00 N ATOM 758 CA GLU A 51 -14.005 2.703 4.950 1.00 0.00 C ATOM 759 C GLU A 51 -13.497 4.124 4.732 1.00 0.00 C ATOM 760 O GLU A 51 -12.380 4.331 4.259 1.00 0.00 O ATOM 761 CB GLU A 51 -13.965 2.356 6.439 1.00 0.00 C ATOM 762 CG GLU A 51 -15.143 2.909 7.225 1.00 0.00 C ATOM 763 CD GLU A 51 -16.480 2.507 6.631 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.645 1.318 6.293 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.361 3.384 6.506 1.00 0.00 O ATOM 0 H GLU A 51 -12.206 1.871 4.269 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.036 2.648 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.942 1.272 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.040 2.741 6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.086 2.556 8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.076 3.996 7.257 1.00 0.00 H new ATOM 772 N ASP A 52 -14.328 5.100 5.079 1.00 0.00 N ATOM 773 CA ASP A 52 -13.969 6.503 4.919 1.00 0.00 C ATOM 774 C ASP A 52 -14.654 7.362 5.979 1.00 0.00 C ATOM 775 O ASP A 52 -15.816 7.138 6.318 1.00 0.00 O ATOM 776 CB ASP A 52 -14.352 6.986 3.519 1.00 0.00 C ATOM 777 CG ASP A 52 -14.079 8.464 3.315 1.00 0.00 C ATOM 778 OD1 ASP A 52 -13.179 9.001 3.993 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.767 9.085 2.476 1.00 0.00 O ATOM 0 H ASP A 52 -15.256 4.945 5.473 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.891 6.599 5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.797 6.412 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.410 6.789 3.348 1.00 0.00 H new ATOM 904 N SER A 61 -8.960 10.522 6.408 1.00 0.00 N ATOM 905 CA SER A 61 -8.476 9.198 6.786 1.00 0.00 C ATOM 906 C SER A 61 -9.176 8.112 5.974 1.00 0.00 C ATOM 907 O SER A 61 -10.212 8.354 5.357 1.00 0.00 O ATOM 908 CB SER A 61 -8.700 8.958 8.280 1.00 0.00 C ATOM 909 OG SER A 61 -8.534 10.155 9.019 1.00 0.00 O ATOM 0 HA SER A 61 -7.408 9.154 6.574 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.703 8.563 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.999 8.205 8.640 1.00 0.00 H new ATOM 0 HG SER A 61 -8.779 10.921 8.459 1.00 0.00 H new ATOM 915 N PHE A 62 -8.600 6.914 5.980 1.00 0.00 N ATOM 916 CA PHE A 62 -9.169 5.790 5.244 1.00 0.00 C ATOM 917 C PHE A 62 -8.841 4.468 5.930 1.00 0.00 C ATOM 918 O PHE A 62 -7.815 4.342 6.599 1.00 0.00 O ATOM 919 CB PHE A 62 -8.642 5.776 3.808 1.00 0.00 C ATOM 920 CG PHE A 62 -9.332 6.757 2.904 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.668 6.594 2.573 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.645 7.844 2.387 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.306 7.496 1.742 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.278 8.749 1.555 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.609 8.574 1.233 1.00 0.00 C ATOM 0 H PHE A 62 -7.741 6.697 6.485 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.252 5.910 5.226 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.574 5.995 3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.758 4.773 3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.217 5.752 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.604 7.986 2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.347 7.358 1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.732 9.592 1.158 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.105 9.280 0.583 1.00 0.00 H new ATOM 935 N ARG A 63 -9.720 3.486 5.761 1.00 0.00 N ATOM 936 CA ARG A 63 -9.523 2.172 6.364 1.00 0.00 C ATOM 937 C ARG A 63 -9.550 1.077 5.301 1.00 0.00 C ATOM 938 O ARG A 63 -10.474 1.008 4.490 1.00 0.00 O ATOM 939 CB ARG A 63 -10.603 1.904 7.415 1.00 0.00 C ATOM 940 CG ARG A 63 -10.107 1.098 8.604 1.00 0.00 C ATOM 941 CD ARG A 63 -10.984 1.311 9.827 1.00 0.00 C ATOM 942 NE ARG A 63 -12.211 0.520 9.766 1.00 0.00 N ATOM 943 CZ ARG A 63 -12.251 -0.799 9.944 1.00 0.00 C ATOM 944 NH1 ARG A 63 -11.137 -1.477 10.192 1.00 0.00 N ATOM 945 NH2 ARG A 63 -13.409 -1.442 9.872 1.00 0.00 N ATOM 0 H ARG A 63 -10.575 3.575 5.212 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.545 2.163 6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.996 2.856 7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.431 1.372 6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.092 0.039 8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.081 1.384 8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.425 1.045 10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.238 2.368 9.911 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.087 1.006 9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.244 -0.988 10.247 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.174 -2.487 10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.268 -0.926 9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.441 -2.452 10.008 1.00 0.00 H new ATOM 959 N VAL A 64 -8.531 0.225 5.312 1.00 0.00 N ATOM 960 CA VAL A 64 -8.437 -0.865 4.348 1.00 0.00 C ATOM 961 C VAL A 64 -8.401 -2.219 5.049 1.00 0.00 C ATOM 962 O VAL A 64 -7.619 -2.429 5.977 1.00 0.00 O ATOM 963 CB VAL A 64 -7.184 -0.727 3.462 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.344 0.429 2.487 1.00 0.00 C ATOM 965 CG2 VAL A 64 -5.942 -0.543 4.320 1.00 0.00 C ATOM 0 H VAL A 64 -7.759 0.268 5.977 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.326 -0.807 3.720 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.066 -1.644 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.449 0.511 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.210 0.250 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.488 1.356 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.067 -0.447 3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.048 0.357 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.820 -1.407 4.973 1.00 0.00 H new ATOM 975 N LEU A 65 -9.252 -3.135 4.598 1.00 0.00 N ATOM 976 CA LEU A 65 -9.318 -4.470 5.181 1.00 0.00 C ATOM 977 C LEU A 65 -9.079 -5.540 4.120 1.00 0.00 C ATOM 978 O LEU A 65 -9.566 -5.431 2.995 1.00 0.00 O ATOM 979 CB LEU A 65 -10.679 -4.692 5.846 1.00 0.00 C ATOM 980 CG LEU A 65 -10.686 -5.715 6.982 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.417 -7.113 6.444 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.658 -5.342 8.039 1.00 0.00 C ATOM 0 H LEU A 65 -9.905 -2.977 3.831 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.534 -4.549 5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.036 -3.738 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.390 -5.013 5.085 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.673 -5.710 7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.426 -7.828 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.190 -7.380 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.443 -7.134 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.676 -6.080 8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.665 -5.319 7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.895 -4.359 8.446 1.00 0.00 H new ATOM 994 N VAL A 66 -8.324 -6.571 4.484 1.00 0.00 N ATOM 995 CA VAL A 66 -8.021 -7.657 3.560 1.00 0.00 C ATOM 996 C VAL A 66 -7.989 -9.000 4.281 1.00 0.00 C ATOM 997 O VAL A 66 -7.370 -9.137 5.336 1.00 0.00 O ATOM 998 CB VAL A 66 -6.668 -7.436 2.857 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.462 -8.468 1.758 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.584 -6.024 2.294 1.00 0.00 C ATOM 0 H VAL A 66 -7.911 -6.677 5.411 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.815 -7.666 2.813 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.873 -7.558 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.501 -8.296 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.476 -9.468 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.261 -8.380 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.622 -5.886 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.387 -5.872 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.683 -5.302 3.105 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.659 -9.991 3.701 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.707 -11.326 4.283 1.00 0.00 C ATOM 1012 C VAL A 67 -8.410 -12.391 3.233 1.00 0.00 C ATOM 1013 O VAL A 67 -9.121 -12.507 2.234 1.00 0.00 O ATOM 1014 CB VAL A 67 -10.082 -11.616 4.916 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -10.055 -12.932 5.675 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.500 -10.473 5.829 1.00 0.00 C ATOM 0 H VAL A 67 -9.176 -9.894 2.827 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.944 -11.360 5.061 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.819 -11.701 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.035 -13.119 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.804 -13.742 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.307 -12.881 6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.473 -10.695 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.763 -10.354 6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.564 -9.551 5.252 1.00 0.00 H new ATOM 1026 N SER A 68 -7.355 -13.165 3.464 1.00 0.00 N ATOM 1027 CA SER A 68 -6.965 -14.219 2.534 1.00 0.00 C ATOM 1028 C SER A 68 -5.788 -15.021 3.080 1.00 0.00 C ATOM 1029 O SER A 68 -5.205 -14.668 4.106 1.00 0.00 O ATOM 1030 CB SER A 68 -6.602 -13.618 1.172 1.00 0.00 C ATOM 1031 OG SER A 68 -6.478 -12.208 1.250 1.00 0.00 O ATOM 0 H SER A 68 -6.756 -13.083 4.285 1.00 0.00 H new ATOM 0 HA SER A 68 -7.813 -14.893 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.665 -14.049 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.368 -13.878 0.441 1.00 0.00 H new ATOM 0 HG SER A 68 -5.823 -11.900 0.589 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.444 -16.102 2.387 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.338 -16.957 2.801 1.00 0.00 C ATOM 1039 C ALA A 69 -3.016 -16.481 2.204 1.00 0.00 C ATOM 1040 O ALA A 69 -1.943 -16.828 2.697 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.610 -18.399 2.402 1.00 0.00 C ATOM 0 H ALA A 69 -5.916 -16.406 1.536 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.255 -16.899 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.777 -19.027 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.526 -18.743 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.723 -18.462 1.320 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.097 -15.687 1.140 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.902 -15.167 0.481 1.00 0.00 C ATOM 1049 C LYS A 70 -1.001 -14.440 1.474 1.00 0.00 C ATOM 1050 O LYS A 70 0.220 -14.427 1.325 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.294 -14.222 -0.656 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.295 -14.202 -1.802 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.866 -12.785 -2.147 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.709 -12.602 -3.648 1.00 0.00 C ATOM 1055 NZ LYS A 70 0.016 -13.742 -4.275 1.00 0.00 N ATOM 0 H LYS A 70 -3.976 -15.390 0.716 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.349 -16.012 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.270 -14.516 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.399 -13.212 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.419 -14.792 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.738 -14.672 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.604 -12.078 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.078 -12.558 -1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.693 -12.502 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.169 -11.676 -3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.512 -13.411 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.707 -14.127 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.664 -14.484 -4.536 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.613 -13.836 2.488 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.866 -13.108 3.508 1.00 0.00 C ATOM 1071 C PHE A 71 -0.169 -14.071 4.464 1.00 0.00 C ATOM 1072 O PHE A 71 0.897 -13.766 4.998 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.798 -12.180 4.289 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.914 -10.807 3.694 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.785 -10.117 3.283 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.153 -10.203 3.547 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -0.888 -8.852 2.737 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.263 -8.939 3.000 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.129 -8.262 2.594 1.00 0.00 C ATOM 0 H PHE A 71 -2.624 -13.836 2.625 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.106 -12.509 3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.789 -12.631 4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.436 -12.094 5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.188 -10.574 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.043 -10.727 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.001 -8.325 2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.235 -8.480 2.890 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.213 -7.274 2.166 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.779 -15.232 4.678 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.217 -16.237 5.570 1.00 0.00 C ATOM 1091 C GLU A 72 1.158 -16.689 5.086 1.00 0.00 C ATOM 1092 O GLU A 72 2.079 -16.868 5.882 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.160 -17.438 5.669 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.949 -17.486 6.967 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.141 -18.050 8.120 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.279 -17.319 8.653 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.371 -19.220 8.490 1.00 0.00 O ATOM 0 H GLU A 72 -1.663 -15.499 4.245 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.101 -15.790 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.856 -17.413 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.579 -18.355 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.285 -16.481 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.842 -18.094 6.823 1.00 0.00 H new ATOM 1104 N GLY A 73 1.288 -16.870 3.776 1.00 0.00 N ATOM 1105 CA GLY A 73 2.553 -17.299 3.208 1.00 0.00 C ATOM 1106 C GLY A 73 3.682 -16.335 3.515 1.00 0.00 C ATOM 1107 O GLY A 73 4.840 -16.737 3.620 1.00 0.00 O ATOM 0 H GLY A 73 0.540 -16.727 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.806 -18.286 3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.448 -17.399 2.128 1.00 0.00 H new ATOM 1111 N LYS A 74 3.344 -15.057 3.657 1.00 0.00 N ATOM 1112 CA LYS A 74 4.337 -14.032 3.953 1.00 0.00 C ATOM 1113 C LYS A 74 4.265 -13.611 5.419 1.00 0.00 C ATOM 1114 O LYS A 74 3.224 -13.746 6.061 1.00 0.00 O ATOM 1115 CB LYS A 74 4.129 -12.815 3.050 1.00 0.00 C ATOM 1116 CG LYS A 74 4.356 -13.106 1.576 1.00 0.00 C ATOM 1117 CD LYS A 74 4.632 -11.833 0.792 1.00 0.00 C ATOM 1118 CE LYS A 74 5.589 -12.084 -0.361 1.00 0.00 C ATOM 1119 NZ LYS A 74 4.869 -12.470 -1.607 1.00 0.00 N ATOM 0 H LYS A 74 2.390 -14.707 3.572 1.00 0.00 H new ATOM 0 HA LYS A 74 5.324 -14.452 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.114 -12.441 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.806 -12.020 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.196 -13.792 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.479 -13.606 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.695 -11.431 0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.052 -11.079 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.178 -11.186 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.289 -12.873 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.557 -12.632 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.327 -13.341 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.220 -11.706 -1.884 1.00 0.00 H new ATOM 1133 N PRO A 75 5.376 -13.091 5.969 1.00 0.00 N ATOM 1134 CA PRO A 75 5.432 -12.649 7.367 1.00 0.00 C ATOM 1135 C PRO A 75 4.539 -11.440 7.627 1.00 0.00 C ATOM 1136 O PRO A 75 3.777 -11.020 6.757 1.00 0.00 O ATOM 1137 CB PRO A 75 6.905 -12.281 7.571 1.00 0.00 C ATOM 1138 CG PRO A 75 7.417 -11.985 6.203 1.00 0.00 C ATOM 1139 CD PRO A 75 6.661 -12.892 5.274 1.00 0.00 C ATOM 0 HA PRO A 75 5.076 -13.420 8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.010 -11.417 8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.457 -13.100 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.256 -10.939 5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.490 -12.168 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.522 -12.438 4.293 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.185 -13.835 5.118 1.00 0.00 H new ATOM 1147 N LEU A 76 4.640 -10.886 8.832 1.00 0.00 N ATOM 1148 CA LEU A 76 3.842 -9.725 9.208 1.00 0.00 C ATOM 1149 C LEU A 76 4.440 -8.443 8.635 1.00 0.00 C ATOM 1150 O LEU A 76 3.718 -7.498 8.319 1.00 0.00 O ATOM 1151 CB LEU A 76 3.744 -9.620 10.731 1.00 0.00 C ATOM 1152 CG LEU A 76 2.603 -8.741 11.247 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.299 -9.063 12.703 1.00 0.00 C ATOM 1154 CD2 LEU A 76 2.951 -7.269 11.085 1.00 0.00 C ATOM 0 H LEU A 76 5.266 -11.223 9.563 1.00 0.00 H new ATOM 0 HA LEU A 76 2.842 -9.853 8.794 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.625 -10.622 11.142 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.686 -9.228 11.114 1.00 0.00 H new ATOM 0 HG LEU A 76 1.711 -8.950 10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.485 -8.429 13.054 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.007 -10.109 12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.187 -8.882 13.309 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.129 -6.658 11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.855 -7.044 11.651 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.119 -7.049 10.031 1.00 0.00 H new ATOM 1166 N LEU A 77 5.762 -8.418 8.508 1.00 0.00 N ATOM 1167 CA LEU A 77 6.456 -7.252 7.975 1.00 0.00 C ATOM 1168 C LEU A 77 6.282 -7.156 6.463 1.00 0.00 C ATOM 1169 O LEU A 77 6.250 -6.062 5.900 1.00 0.00 O ATOM 1170 CB LEU A 77 7.945 -7.314 8.325 1.00 0.00 C ATOM 1171 CG LEU A 77 8.628 -8.649 8.019 1.00 0.00 C ATOM 1172 CD1 LEU A 77 10.015 -8.421 7.437 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.709 -9.505 9.275 1.00 0.00 C ATOM 0 H LEU A 77 6.374 -9.192 8.767 1.00 0.00 H new ATOM 0 HA LEU A 77 6.019 -6.363 8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.464 -6.525 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.062 -7.099 9.387 1.00 0.00 H new ATOM 0 HG LEU A 77 8.030 -9.179 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.484 -9.382 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.932 -7.848 6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.624 -7.870 8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.197 -10.451 9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.284 -8.979 10.037 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.704 -9.699 9.649 1.00 0.00 H new ATOM 1185 N GLN A 78 6.167 -8.308 5.810 1.00 0.00 N ATOM 1186 CA GLN A 78 5.996 -8.353 4.363 1.00 0.00 C ATOM 1187 C GLN A 78 4.595 -7.902 3.965 1.00 0.00 C ATOM 1188 O GLN A 78 4.431 -7.065 3.077 1.00 0.00 O ATOM 1189 CB GLN A 78 6.257 -9.768 3.840 1.00 0.00 C ATOM 1190 CG GLN A 78 7.728 -10.067 3.601 1.00 0.00 C ATOM 1191 CD GLN A 78 8.226 -9.521 2.278 1.00 0.00 C ATOM 1192 OE1 GLN A 78 7.590 -9.704 1.239 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.369 -8.846 2.308 1.00 0.00 N ATOM 0 H GLN A 78 6.189 -9.223 6.261 1.00 0.00 H new ATOM 0 HA GLN A 78 6.718 -7.669 3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.860 -10.489 4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.710 -9.908 2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.318 -9.640 4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.885 -11.145 3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.863 -8.718 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.753 -8.455 1.448 1.00 0.00 H new ATOM 1202 N ARG A 79 3.587 -8.460 4.627 1.00 0.00 N ATOM 1203 CA ARG A 79 2.200 -8.115 4.342 1.00 0.00 C ATOM 1204 C ARG A 79 1.953 -6.626 4.564 1.00 0.00 C ATOM 1205 O ARG A 79 1.220 -5.988 3.807 1.00 0.00 O ATOM 1206 CB ARG A 79 1.256 -8.936 5.222 1.00 0.00 C ATOM 1207 CG ARG A 79 1.509 -8.765 6.711 1.00 0.00 C ATOM 1208 CD ARG A 79 0.422 -9.428 7.541 1.00 0.00 C ATOM 1209 NE ARG A 79 0.825 -10.749 8.015 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.219 -11.398 9.008 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.818 -10.850 9.631 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.648 -12.596 9.377 1.00 0.00 N ATOM 0 H ARG A 79 3.705 -9.154 5.365 1.00 0.00 H new ATOM 0 HA ARG A 79 2.003 -8.346 3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.227 -8.651 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.357 -9.990 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.477 -9.194 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.557 -7.703 6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.181 -8.795 8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.486 -9.518 6.944 1.00 0.00 H new ATOM 0 HE ARG A 79 1.617 -11.201 7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.153 -9.929 9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.279 -11.350 10.391 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.443 -13.022 8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.183 -13.092 10.137 1.00 0.00 H new ATOM 1226 N HIS A 80 2.568 -6.077 5.606 1.00 0.00 N ATOM 1227 CA HIS A 80 2.415 -4.663 5.927 1.00 0.00 C ATOM 1228 C HIS A 80 3.114 -3.791 4.889 1.00 0.00 C ATOM 1229 O HIS A 80 2.526 -2.849 4.359 1.00 0.00 O ATOM 1230 CB HIS A 80 2.978 -4.371 7.319 1.00 0.00 C ATOM 1231 CG HIS A 80 2.008 -4.644 8.426 1.00 0.00 C ATOM 1232 ND1 HIS A 80 0.808 -5.272 8.419 1.00 0.00 N flip ATOM 1233 CD2 HIS A 80 2.225 -4.254 9.731 1.00 0.00 C flip ATOM 1234 CE1 HIS A 80 0.330 -5.251 9.705 1.00 0.00 C flip ATOM 1235 NE2 HIS A 80 1.203 -4.632 10.478 1.00 0.00 N flip ATOM 0 H HIS A 80 3.177 -6.590 6.243 1.00 0.00 H new ATOM 0 HA HIS A 80 1.351 -4.426 5.916 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.873 -4.974 7.474 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.286 -3.326 7.366 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.095 -3.722 10.087 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.609 -5.673 10.032 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.105 -4.473 11.481 1.00 0.00 H new ATOM 1244 N ARG A 81 4.371 -4.112 4.604 1.00 0.00 N ATOM 1245 CA ARG A 81 5.151 -3.358 3.629 1.00 0.00 C ATOM 1246 C ARG A 81 4.553 -3.491 2.234 1.00 0.00 C ATOM 1247 O ARG A 81 4.648 -2.575 1.416 1.00 0.00 O ATOM 1248 CB ARG A 81 6.603 -3.841 3.624 1.00 0.00 C ATOM 1249 CG ARG A 81 7.616 -2.719 3.468 1.00 0.00 C ATOM 1250 CD ARG A 81 8.953 -3.240 2.967 1.00 0.00 C ATOM 1251 NE ARG A 81 9.394 -4.419 3.708 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.542 -5.053 3.479 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.366 -4.624 2.531 1.00 0.00 N ATOM 1254 NH2 ARG A 81 10.867 -6.117 4.200 1.00 0.00 N ATOM 0 H ARG A 81 4.872 -4.889 5.034 1.00 0.00 H new ATOM 0 HA ARG A 81 5.126 -2.307 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.803 -4.374 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.737 -4.556 2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.231 -1.974 2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.756 -2.218 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.872 -3.487 1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.704 -2.455 3.055 1.00 0.00 H new ATOM 0 HE ARG A 81 8.786 -4.778 4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.121 -3.805 1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.244 -5.113 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.237 -6.450 4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.747 -6.603 4.024 1.00 0.00 H new ATOM 1268 N LEU A 82 3.935 -4.638 1.966 1.00 0.00 N ATOM 1269 CA LEU A 82 3.321 -4.891 0.668 1.00 0.00 C ATOM 1270 C LEU A 82 2.231 -3.867 0.373 1.00 0.00 C ATOM 1271 O LEU A 82 2.217 -3.248 -0.691 1.00 0.00 O ATOM 1272 CB LEU A 82 2.736 -6.305 0.626 1.00 0.00 C ATOM 1273 CG LEU A 82 3.685 -7.382 0.097 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.128 -8.768 0.380 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.924 -7.196 -1.394 1.00 0.00 C ATOM 0 H LEU A 82 3.847 -5.406 2.631 1.00 0.00 H new ATOM 0 HA LEU A 82 4.093 -4.801 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.421 -6.582 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.841 -6.293 0.004 1.00 0.00 H new ATOM 0 HG LEU A 82 4.640 -7.284 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.816 -9.522 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.008 -8.899 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.160 -8.878 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.601 -7.971 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.976 -7.268 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.367 -6.216 -1.572 1.00 0.00 H new ATOM 1287 N VAL A 83 1.317 -3.691 1.322 1.00 0.00 N ATOM 1288 CA VAL A 83 0.223 -2.741 1.164 1.00 0.00 C ATOM 1289 C VAL A 83 0.751 -1.316 1.025 1.00 0.00 C ATOM 1290 O VAL A 83 0.196 -0.509 0.281 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.754 -2.803 2.354 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -1.967 -1.922 2.097 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.177 -4.239 2.625 1.00 0.00 C ATOM 0 H VAL A 83 1.313 -4.195 2.209 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.310 -3.019 0.255 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.242 -2.427 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.645 -1.979 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.644 -0.890 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.482 -2.265 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.867 -4.262 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.670 -4.646 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.298 -4.839 2.859 1.00 0.00 H new ATOM 1303 N ASN A 84 1.824 -1.016 1.749 1.00 0.00 N ATOM 1304 CA ASN A 84 2.427 0.312 1.707 1.00 0.00 C ATOM 1305 C ASN A 84 3.110 0.556 0.365 1.00 0.00 C ATOM 1306 O ASN A 84 3.034 1.653 -0.190 1.00 0.00 O ATOM 1307 CB ASN A 84 3.438 0.471 2.844 1.00 0.00 C ATOM 1308 CG ASN A 84 2.801 0.312 4.211 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.848 -0.449 4.379 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.325 1.032 5.196 1.00 0.00 N ATOM 0 H ASN A 84 2.294 -1.673 2.371 1.00 0.00 H new ATOM 0 HA ASN A 84 1.634 1.049 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.231 -0.268 2.728 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.905 1.453 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.937 0.967 6.137 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.115 1.650 5.011 1.00 0.00 H new ATOM 1317 N GLU A 85 3.778 -0.471 -0.150 1.00 0.00 N ATOM 1318 CA GLU A 85 4.474 -0.366 -1.427 1.00 0.00 C ATOM 1319 C GLU A 85 3.500 -0.026 -2.551 1.00 0.00 C ATOM 1320 O GLU A 85 3.825 0.745 -3.455 1.00 0.00 O ATOM 1321 CB GLU A 85 5.199 -1.674 -1.744 1.00 0.00 C ATOM 1322 CG GLU A 85 6.476 -1.872 -0.943 1.00 0.00 C ATOM 1323 CD GLU A 85 7.609 -2.436 -1.780 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.321 -3.137 -2.772 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.782 -2.177 -1.441 1.00 0.00 O ATOM 0 H GLU A 85 3.852 -1.385 0.297 1.00 0.00 H new ATOM 0 HA GLU A 85 5.206 0.438 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.526 -2.509 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.439 -1.698 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.785 -0.917 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.276 -2.544 -0.108 1.00 0.00 H new ATOM 1332 N CYS A 86 2.307 -0.606 -2.488 1.00 0.00 N ATOM 1333 CA CYS A 86 1.284 -0.364 -3.500 1.00 0.00 C ATOM 1334 C CYS A 86 0.916 1.115 -3.560 1.00 0.00 C ATOM 1335 O CYS A 86 1.043 1.755 -4.603 1.00 0.00 O ATOM 1336 CB CYS A 86 0.038 -1.200 -3.206 1.00 0.00 C ATOM 1337 SG CYS A 86 0.025 -2.815 -4.019 1.00 0.00 S ATOM 0 H CYS A 86 2.024 -1.247 -1.747 1.00 0.00 H new ATOM 0 HA CYS A 86 1.690 -0.658 -4.468 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.042 -1.347 -2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.844 -0.641 -3.518 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.067 -3.448 -3.709 1.00 0.00 H new ATOM 1343 N LEU A 87 0.461 1.652 -2.432 1.00 0.00 N ATOM 1344 CA LEU A 87 0.075 3.056 -2.355 1.00 0.00 C ATOM 1345 C LEU A 87 1.144 3.874 -1.636 1.00 0.00 C ATOM 1346 O LEU A 87 0.858 4.573 -0.663 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.268 3.197 -1.635 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.309 2.135 -1.991 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.357 2.027 -0.894 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -2.962 2.457 -3.327 1.00 0.00 C ATOM 0 H LEU A 87 0.351 1.136 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.025 3.439 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.091 3.165 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.682 4.180 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.805 1.173 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.090 1.267 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.875 1.750 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.858 2.987 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.700 1.691 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.453 3.428 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.201 2.483 -4.107 1.00 0.00 H new ATOM 1362 N ALA A 88 2.378 3.780 -2.121 1.00 0.00 N ATOM 1363 CA ALA A 88 3.490 4.510 -1.526 1.00 0.00 C ATOM 1364 C ALA A 88 3.361 6.009 -1.774 1.00 0.00 C ATOM 1365 O ALA A 88 3.549 6.816 -0.865 1.00 0.00 O ATOM 1366 CB ALA A 88 4.812 3.994 -2.075 1.00 0.00 C ATOM 0 H ALA A 88 2.632 3.205 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 88 3.466 4.345 -0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.635 4.548 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.915 2.935 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.835 4.130 -3.156 1.00 0.00 H new ATOM 1372 N GLU A 89 3.043 6.375 -3.011 1.00 0.00 N ATOM 1373 CA GLU A 89 2.891 7.778 -3.378 1.00 0.00 C ATOM 1374 C GLU A 89 1.578 8.344 -2.845 1.00 0.00 C ATOM 1375 O GLU A 89 1.496 9.520 -2.490 1.00 0.00 O ATOM 1376 CB GLU A 89 2.947 7.938 -4.898 1.00 0.00 C ATOM 1377 CG GLU A 89 4.257 7.468 -5.511 1.00 0.00 C ATOM 1378 CD GLU A 89 4.354 7.782 -6.991 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.948 8.894 -7.391 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.835 6.915 -7.751 1.00 0.00 O ATOM 0 H GLU A 89 2.886 5.719 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 89 3.714 8.334 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.125 7.378 -5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.793 8.987 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.089 7.940 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.357 6.393 -5.364 1.00 0.00 H new ATOM 1387 N GLU A 90 0.553 7.499 -2.793 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.758 7.914 -2.306 1.00 0.00 C ATOM 1389 C GLU A 90 -0.769 8.048 -0.785 1.00 0.00 C ATOM 1390 O GLU A 90 -1.517 8.852 -0.230 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.827 6.913 -2.747 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.411 7.210 -4.118 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.433 6.926 -5.242 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.388 7.607 -5.306 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.713 6.023 -6.058 1.00 0.00 O ATOM 0 H GLU A 90 0.605 6.522 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.979 8.891 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.395 5.912 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.632 6.907 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.310 6.611 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.714 8.256 -4.161 1.00 0.00 H new ATOM 1402 N LEU A 91 0.059 7.250 -0.116 1.00 0.00 N ATOM 1403 CA LEU A 91 0.139 7.274 1.344 1.00 0.00 C ATOM 1404 C LEU A 91 0.316 8.698 1.872 1.00 0.00 C ATOM 1405 O LEU A 91 -0.500 9.182 2.655 1.00 0.00 O ATOM 1406 CB LEU A 91 1.286 6.383 1.828 1.00 0.00 C ATOM 1407 CG LEU A 91 0.862 5.010 2.351 1.00 0.00 C ATOM 1408 CD1 LEU A 91 2.065 4.246 2.881 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.200 5.155 3.430 1.00 0.00 C ATOM 0 H LEU A 91 0.685 6.578 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.802 6.887 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.987 6.241 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.823 6.906 2.619 1.00 0.00 H new ATOM 0 HG LEU A 91 0.434 4.443 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.744 3.271 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.791 4.110 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.523 4.808 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.490 4.168 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.200 5.741 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.072 5.661 3.016 1.00 0.00 H new ATOM 1421 N PRO A 92 1.390 9.393 1.451 1.00 0.00 N ATOM 1422 CA PRO A 92 1.664 10.764 1.890 1.00 0.00 C ATOM 1423 C PRO A 92 0.421 11.650 1.858 1.00 0.00 C ATOM 1424 O PRO A 92 0.275 12.561 2.673 1.00 0.00 O ATOM 1425 CB PRO A 92 2.694 11.253 0.873 1.00 0.00 C ATOM 1426 CG PRO A 92 3.420 10.022 0.453 1.00 0.00 C ATOM 1427 CD PRO A 92 2.420 8.896 0.519 1.00 0.00 C ATOM 0 HA PRO A 92 2.007 10.801 2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.213 11.739 0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.373 11.982 1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.817 10.130 -0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.268 9.828 1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.999 8.677 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.877 7.976 0.882 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.471 11.376 0.911 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.701 12.148 0.773 1.00 0.00 C ATOM 1437 C HIS A 93 -2.702 11.778 1.863 1.00 0.00 C ATOM 1438 O HIS A 93 -3.490 12.613 2.306 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.322 11.916 -0.605 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.533 12.520 -1.725 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.951 13.632 -2.426 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.344 12.162 -2.267 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -1.054 13.931 -3.350 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.071 13.055 -3.274 1.00 0.00 N ATOM 0 H HIS A 93 -0.365 10.626 0.228 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.451 13.204 0.878 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.418 10.844 -0.776 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.330 12.332 -0.615 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.274 11.330 -1.964 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.116 14.753 -4.048 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.758 13.043 -3.868 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.664 10.520 2.291 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.568 10.037 3.328 1.00 0.00 C ATOM 1455 C ILE A 94 -3.165 10.569 4.699 1.00 0.00 C ATOM 1456 O ILE A 94 -2.118 10.201 5.235 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.596 8.498 3.378 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.803 7.920 1.976 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.688 8.017 4.322 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.146 8.270 1.372 1.00 0.00 C ATOM 0 H ILE A 94 -2.016 9.817 1.935 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.563 10.404 3.075 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.636 8.147 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.012 8.285 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.705 6.835 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.694 6.927 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.498 8.401 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.656 8.378 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.225 7.828 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.943 7.881 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.239 9.353 1.295 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.001 11.433 5.264 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.730 12.012 6.576 1.00 0.00 C ATOM 1474 C HIS A 95 -3.630 10.921 7.637 1.00 0.00 C ATOM 1475 O HIS A 95 -2.822 11.012 8.561 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.828 13.008 6.954 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.483 13.858 8.137 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -3.942 15.122 8.024 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.605 13.620 9.465 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -3.746 15.624 9.231 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -4.139 14.733 10.122 1.00 0.00 N ATOM 0 H HIS A 95 -4.871 11.748 4.835 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.776 12.537 6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.031 13.654 6.100 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.747 12.461 7.166 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.996 12.723 9.922 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.334 16.598 9.451 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.103 14.852 11.134 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.454 9.889 7.494 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.459 8.776 8.436 1.00 0.00 C ATOM 1492 C ALA A 96 -4.878 7.482 7.748 1.00 0.00 C ATOM 1493 O ALA A 96 -6.002 7.362 7.261 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.383 9.079 9.606 1.00 0.00 C ATOM 0 H ALA A 96 -5.128 9.800 6.734 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.445 8.645 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.377 8.240 10.301 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.039 9.977 10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.397 9.238 9.238 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.967 6.516 7.710 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.241 5.230 7.080 1.00 0.00 C ATOM 1502 C PHE A 97 -4.210 4.101 8.106 1.00 0.00 C ATOM 1503 O PHE A 97 -3.417 4.126 9.047 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.223 4.955 5.972 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.665 3.899 4.998 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.364 2.565 5.220 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.380 4.242 3.862 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.770 1.592 4.326 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.787 3.273 2.964 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.481 1.946 3.197 1.00 0.00 C ATOM 0 H PHE A 97 -3.032 6.599 8.108 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.240 5.273 6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.030 5.880 5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.280 4.648 6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.806 2.282 6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.622 5.278 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.531 0.555 4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.343 3.553 2.082 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.798 1.187 2.497 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.079 3.114 7.917 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.152 1.975 8.825 1.00 0.00 C ATOM 1522 C GLU A 98 -5.493 0.698 8.066 1.00 0.00 C ATOM 1523 O GLU A 98 -6.542 0.603 7.429 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.196 2.231 9.913 1.00 0.00 C ATOM 1525 CG GLU A 98 -6.142 1.229 11.055 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.481 1.795 12.296 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -5.728 2.977 12.613 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -4.715 1.056 12.951 1.00 0.00 O ATOM 0 H GLU A 98 -5.743 3.080 7.143 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.175 1.849 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.052 3.234 10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.189 2.206 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.155 0.909 11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.598 0.342 10.730 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.600 -0.284 8.137 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.806 -1.556 7.455 1.00 0.00 C ATOM 1537 C GLN A 99 -4.825 -2.712 8.451 1.00 0.00 C ATOM 1538 O GLN A 99 -4.248 -2.620 9.535 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.709 -1.784 6.413 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.303 -1.593 6.960 1.00 0.00 C ATOM 1541 CD GLN A 99 -1.613 -0.371 6.383 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -1.544 0.677 7.023 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -1.099 -0.503 5.165 1.00 0.00 N ATOM 0 H GLN A 99 -3.727 -0.223 8.660 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.773 -1.517 6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.801 -2.795 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.862 -1.098 5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.349 -1.501 8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.708 -2.479 6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.180 -1.392 4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.624 0.284 4.724 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.492 -3.798 8.075 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.587 -4.972 8.934 1.00 0.00 C ATOM 1554 C LYS A 100 -5.673 -6.248 8.101 1.00 0.00 C ATOM 1555 O LYS A 100 -6.548 -6.384 7.246 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.806 -4.862 9.852 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.535 -5.313 11.279 1.00 0.00 C ATOM 1558 CD LYS A 100 -6.695 -6.817 11.427 1.00 0.00 C ATOM 1559 CE LYS A 100 -5.696 -7.387 12.421 1.00 0.00 C ATOM 1560 NZ LYS A 100 -5.702 -6.638 13.708 1.00 0.00 N ATOM 0 H LYS A 100 -5.975 -3.889 7.181 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.686 -5.019 9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.148 -3.827 9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.617 -5.461 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.525 -5.023 11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.219 -4.805 11.959 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.709 -7.046 11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.559 -7.296 10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.930 -8.435 12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.696 -7.357 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.239 -7.209 14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.188 -5.742 13.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.683 -6.440 13.990 1.00 0.00 H new ATOM 1574 N THR A 101 -4.760 -7.179 8.357 1.00 0.00 N ATOM 1575 CA THR A 101 -4.734 -8.444 7.630 1.00 0.00 C ATOM 1576 C THR A 101 -5.052 -9.613 8.557 1.00 0.00 C ATOM 1577 O THR A 101 -4.544 -9.687 9.676 1.00 0.00 O ATOM 1578 CB THR A 101 -3.365 -8.652 6.979 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.389 -8.973 7.955 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.874 -7.439 6.219 1.00 0.00 C ATOM 0 H THR A 101 -4.029 -7.082 9.062 1.00 0.00 H new ATOM 0 HA THR A 101 -5.497 -8.404 6.853 1.00 0.00 H new ATOM 0 HB THR A 101 -3.502 -9.472 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.975 -8.149 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.899 -7.654 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.581 -7.196 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.788 -6.593 6.901 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.894 -10.524 8.083 1.00 0.00 N ATOM 1589 CA LEU A 102 -6.280 -11.691 8.868 1.00 0.00 C ATOM 1590 C LEU A 102 -6.500 -12.902 7.966 1.00 0.00 C ATOM 1591 O LEU A 102 -6.707 -12.762 6.761 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.550 -11.396 9.671 1.00 0.00 C ATOM 1593 CG LEU A 102 -7.329 -11.138 11.162 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -8.660 -10.956 11.875 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -6.538 -12.276 11.788 1.00 0.00 C ATOM 0 H LEU A 102 -6.323 -10.477 7.159 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.469 -11.919 9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.042 -10.526 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.234 -12.237 9.561 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.753 -10.219 11.271 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.483 -10.773 12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.190 -10.107 11.444 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.262 -11.857 11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.390 -12.076 12.849 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.087 -13.210 11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.569 -12.359 11.296 1.00 0.00 H new ATOM 1607 N THR A 103 -6.455 -14.091 8.560 1.00 0.00 N ATOM 1608 CA THR A 103 -6.650 -15.327 7.811 1.00 0.00 C ATOM 1609 C THR A 103 -8.136 -15.617 7.618 1.00 0.00 C ATOM 1610 O THR A 103 -8.959 -15.270 8.465 1.00 0.00 O ATOM 1611 CB THR A 103 -5.978 -16.496 8.531 1.00 0.00 C ATOM 1612 OG1 THR A 103 -6.262 -16.460 9.918 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.473 -16.513 8.371 1.00 0.00 C ATOM 0 H THR A 103 -6.285 -14.224 9.557 1.00 0.00 H new ATOM 0 HA THR A 103 -6.192 -15.204 6.829 1.00 0.00 H new ATOM 0 HB THR A 103 -6.386 -17.394 8.067 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.628 -15.862 10.366 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.060 -17.368 8.906 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.220 -16.591 7.314 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.053 -15.593 8.778 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.501 -16.263 6.497 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.896 -16.598 6.198 1.00 0.00 C ATOM 1623 C PRO A 104 -10.569 -17.347 7.344 1.00 0.00 C ATOM 1624 O PRO A 104 -11.714 -17.063 7.696 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.791 -17.497 4.963 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.510 -17.101 4.315 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.583 -16.714 5.434 1.00 0.00 C ATOM 0 HA PRO A 104 -10.504 -15.707 6.042 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.785 -18.551 5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.637 -17.348 4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.096 -17.924 3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.661 -16.269 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.973 -17.556 5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.897 -15.922 5.132 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.850 -18.304 7.922 1.00 0.00 N ATOM 1636 CA GLU A 105 -10.377 -19.093 9.029 1.00 0.00 C ATOM 1637 C GLU A 105 -10.741 -18.200 10.211 1.00 0.00 C ATOM 1638 O GLU A 105 -11.805 -18.348 10.810 1.00 0.00 O ATOM 1639 CB GLU A 105 -9.353 -20.147 9.460 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.717 -21.559 9.032 1.00 0.00 C ATOM 1641 CD GLU A 105 -9.232 -22.609 10.012 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -8.063 -23.035 9.894 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -10.019 -23.005 10.897 1.00 0.00 O ATOM 0 H GLU A 105 -8.901 -18.552 7.642 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.283 -19.595 8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.380 -19.889 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.251 -20.120 10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.799 -21.636 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.289 -21.759 8.050 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.848 -17.273 10.543 1.00 0.00 N ATOM 1651 CA GLN A 106 -10.074 -16.357 11.655 1.00 0.00 C ATOM 1652 C GLN A 106 -11.328 -15.520 11.423 1.00 0.00 C ATOM 1653 O GLN A 106 -12.191 -15.422 12.296 1.00 0.00 O ATOM 1654 CB GLN A 106 -8.864 -15.440 11.842 1.00 0.00 C ATOM 1655 CG GLN A 106 -7.696 -16.111 12.546 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.520 -15.176 12.746 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -5.635 -15.083 11.895 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -6.506 -14.476 13.875 1.00 0.00 N ATOM 0 H GLN A 106 -8.961 -17.136 10.058 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.215 -16.950 12.559 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.534 -15.084 10.866 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -9.168 -14.564 12.414 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.027 -16.485 13.515 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.374 -16.975 11.964 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.261 -14.585 14.552 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.740 -13.829 14.065 1.00 0.00 H new ATOM 1667 N TRP A 107 -11.423 -14.918 10.241 1.00 0.00 N ATOM 1668 CA TRP A 107 -12.572 -14.090 9.895 1.00 0.00 C ATOM 1669 C TRP A 107 -13.857 -14.913 9.882 1.00 0.00 C ATOM 1670 O TRP A 107 -14.939 -14.395 10.158 1.00 0.00 O ATOM 1671 CB TRP A 107 -12.360 -13.430 8.534 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.813 -12.004 8.497 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -14.036 -11.545 8.104 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -12.052 -10.853 8.875 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -14.080 -10.174 8.208 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.874 -9.727 8.680 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.755 -10.664 9.358 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -12.440 -8.431 8.951 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -10.325 -9.379 9.628 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -11.165 -8.277 9.424 1.00 0.00 C ATOM 0 H TRP A 107 -10.718 -14.989 9.507 1.00 0.00 H new ATOM 0 HA TRP A 107 -12.669 -13.315 10.655 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -11.302 -13.476 8.275 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.899 -13.996 7.774 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.850 -12.167 7.762 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.880 -9.586 7.972 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -10.100 -11.508 9.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -13.086 -7.580 8.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -9.324 -9.222 10.003 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.799 -7.285 9.645 1.00 0.00 H new ATOM 1691 N THR A 108 -13.731 -16.196 9.559 1.00 0.00 N ATOM 1692 CA THR A 108 -14.882 -17.089 9.510 1.00 0.00 C ATOM 1693 C THR A 108 -15.599 -17.129 10.856 1.00 0.00 C ATOM 1694 O THR A 108 -16.815 -17.307 10.917 1.00 0.00 O ATOM 1695 CB THR A 108 -14.441 -18.498 9.112 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.750 -18.476 7.875 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.593 -19.468 8.977 1.00 0.00 C ATOM 0 H THR A 108 -12.843 -16.640 9.327 1.00 0.00 H new ATOM 0 HA THR A 108 -15.576 -16.707 8.762 1.00 0.00 H new ATOM 0 HB THR A 108 -13.793 -18.838 9.920 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.854 -18.101 8.007 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.211 -20.449 8.693 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.118 -19.545 9.929 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.282 -19.111 8.211 1.00 0.00 H new