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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0354) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.3 K(o=-1.3,f=-8.6!) USER MOD Single : A 47 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.012) USER MOD Single : A 61 SER OG : rot -23:sc= 0.169 USER MOD Single : A 68 SER OG : rot 150:sc= -0.336 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= -0.0104 K(o=-0.01,f=-1.2) USER MOD Single : A 80 HIS : no HD1:sc=-0.00292 X(o=-0.0029,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.3) USER MOD Single : A 86 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 93 HIS : no HD1:sc= -0.271 X(o=-0.27,f=0.04) USER MOD Single : A 95 HIS : no HE2:sc= 0.604 K(o=0.6,f=-2.3!) USER MOD Single : A 99 GLN :FLIP amide:sc= -1.06 F(o=-3.4!,f=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 150:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 106 GLN : amide:sc= -0.0836 K(o=-0.084,f=-1.6!) USER MOD Single : A 108 THR OG1 : rot 83:sc= 0.964 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.787 7.605 -3.568 1.00 0.00 N ATOM 428 CA SER A 31 -11.079 7.120 -3.098 1.00 0.00 C ATOM 429 C SER A 31 -10.931 5.779 -2.387 1.00 0.00 C ATOM 430 O SER A 31 -9.969 5.046 -2.617 1.00 0.00 O ATOM 431 CB SER A 31 -12.054 6.986 -4.268 1.00 0.00 C ATOM 432 OG SER A 31 -12.774 8.189 -4.474 1.00 0.00 O ATOM 0 HA SER A 31 -11.474 7.846 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.506 6.727 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.751 6.171 -4.073 1.00 0.00 H new ATOM 0 HG SER A 31 -13.389 8.077 -5.229 1.00 0.00 H new ATOM 438 N ALA A 32 -11.891 5.463 -1.523 1.00 0.00 N ATOM 439 CA ALA A 32 -11.867 4.210 -0.780 1.00 0.00 C ATOM 440 C ALA A 32 -11.880 3.011 -1.723 1.00 0.00 C ATOM 441 O ALA A 32 -11.096 2.075 -1.563 1.00 0.00 O ATOM 442 CB ALA A 32 -13.048 4.143 0.178 1.00 0.00 C ATOM 0 H ALA A 32 -12.695 6.058 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.942 4.175 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.018 3.202 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.994 4.975 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.978 4.204 -0.387 1.00 0.00 H new ATOM 448 N ASP A 33 -12.774 3.047 -2.705 1.00 0.00 N ATOM 449 CA ASP A 33 -12.888 1.963 -3.674 1.00 0.00 C ATOM 450 C ASP A 33 -11.626 1.858 -4.524 1.00 0.00 C ATOM 451 O ASP A 33 -11.246 0.770 -4.958 1.00 0.00 O ATOM 452 CB ASP A 33 -14.108 2.183 -4.572 1.00 0.00 C ATOM 453 CG ASP A 33 -15.279 1.302 -4.183 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.981 1.644 -3.209 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.492 0.269 -4.853 1.00 0.00 O ATOM 0 H ASP A 33 -13.430 3.814 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.012 1.029 -3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.411 3.229 -4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.834 1.982 -5.608 1.00 0.00 H new ATOM 460 N TYR A 34 -10.978 2.995 -4.757 1.00 0.00 N ATOM 461 CA TYR A 34 -9.758 3.031 -5.553 1.00 0.00 C ATOM 462 C TYR A 34 -8.647 2.228 -4.885 1.00 0.00 C ATOM 463 O TYR A 34 -8.038 1.357 -5.505 1.00 0.00 O ATOM 464 CB TYR A 34 -9.303 4.476 -5.763 1.00 0.00 C ATOM 465 CG TYR A 34 -8.060 4.605 -6.615 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.974 3.975 -7.850 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.974 5.356 -6.184 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.839 4.089 -8.631 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.837 5.476 -6.960 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.775 4.840 -8.182 1.00 0.00 C ATOM 471 OH TYR A 34 -4.644 4.958 -8.958 1.00 0.00 O ATOM 0 H TYR A 34 -11.278 3.904 -4.405 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.974 2.581 -6.522 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.112 5.038 -6.229 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.116 4.933 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.807 3.387 -8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.019 5.854 -5.227 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.787 3.592 -9.588 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.001 6.065 -6.611 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.988 5.522 -8.497 1.00 0.00 H new ATOM 481 N LEU A 35 -8.391 2.526 -3.614 1.00 0.00 N ATOM 482 CA LEU A 35 -7.354 1.830 -2.862 1.00 0.00 C ATOM 483 C LEU A 35 -7.779 0.402 -2.540 1.00 0.00 C ATOM 484 O LEU A 35 -6.945 -0.500 -2.453 1.00 0.00 O ATOM 485 CB LEU A 35 -7.042 2.584 -1.567 1.00 0.00 C ATOM 486 CG LEU A 35 -6.709 4.067 -1.745 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.633 4.763 -0.396 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.400 4.230 -2.505 1.00 0.00 C ATOM 0 H LEU A 35 -8.887 3.243 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.457 1.792 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.899 2.497 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.202 2.095 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.506 4.532 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.395 5.817 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.593 4.675 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.856 4.297 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.178 5.290 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.594 3.750 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.490 3.766 -3.487 1.00 0.00 H new ATOM 500 N ARG A 36 -9.081 0.202 -2.365 1.00 0.00 N ATOM 501 CA ARG A 36 -9.618 -1.119 -2.053 1.00 0.00 C ATOM 502 C ARG A 36 -9.458 -2.064 -3.239 1.00 0.00 C ATOM 503 O ARG A 36 -8.838 -3.121 -3.123 1.00 0.00 O ATOM 504 CB ARG A 36 -11.093 -1.014 -1.665 1.00 0.00 C ATOM 505 CG ARG A 36 -11.592 -2.193 -0.847 1.00 0.00 C ATOM 506 CD ARG A 36 -13.106 -2.316 -0.912 1.00 0.00 C ATOM 507 NE ARG A 36 -13.532 -3.340 -1.863 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.766 -3.837 -1.913 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.698 -3.408 -1.071 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.069 -4.766 -2.810 1.00 0.00 N ATOM 0 H ARG A 36 -9.784 0.937 -2.434 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.056 -1.523 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.246 -0.097 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.693 -0.931 -2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.135 -3.112 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.280 -2.075 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.493 -2.557 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.536 -1.356 -1.197 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.844 -3.695 -2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.471 -2.693 -0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.641 -3.793 -1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.357 -5.099 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.014 -5.148 -2.850 1.00 0.00 H new ATOM 524 N GLU A 37 -10.022 -1.678 -4.378 1.00 0.00 N ATOM 525 CA GLU A 37 -9.943 -2.492 -5.586 1.00 0.00 C ATOM 526 C GLU A 37 -8.492 -2.706 -6.005 1.00 0.00 C ATOM 527 O GLU A 37 -8.114 -3.796 -6.432 1.00 0.00 O ATOM 528 CB GLU A 37 -10.723 -1.830 -6.724 1.00 0.00 C ATOM 529 CG GLU A 37 -12.226 -1.807 -6.499 1.00 0.00 C ATOM 530 CD GLU A 37 -12.941 -2.931 -7.223 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.456 -3.350 -8.295 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.985 -3.393 -6.718 1.00 0.00 O ATOM 0 H GLU A 37 -10.539 -0.806 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.386 -3.464 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.367 -0.807 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.511 -2.358 -7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.431 -1.879 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.626 -0.851 -6.836 1.00 0.00 H new ATOM 539 N LYS A 38 -7.685 -1.657 -5.880 1.00 0.00 N ATOM 540 CA LYS A 38 -6.276 -1.730 -6.246 1.00 0.00 C ATOM 541 C LYS A 38 -5.551 -2.785 -5.415 1.00 0.00 C ATOM 542 O LYS A 38 -4.849 -3.640 -5.955 1.00 0.00 O ATOM 543 CB LYS A 38 -5.607 -0.368 -6.058 1.00 0.00 C ATOM 544 CG LYS A 38 -4.251 -0.257 -6.735 1.00 0.00 C ATOM 545 CD LYS A 38 -3.422 0.871 -6.141 1.00 0.00 C ATOM 546 CE LYS A 38 -2.176 1.141 -6.968 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.495 1.851 -8.238 1.00 0.00 N ATOM 0 H LYS A 38 -7.983 -0.747 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.214 -2.015 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.264 0.408 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.488 -0.175 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.713 -1.199 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.389 -0.085 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.026 1.777 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.135 0.615 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.475 1.738 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.679 0.198 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.612 2.151 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.017 1.212 -8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.079 2.686 -8.031 1.00 0.00 H new ATOM 561 N LEU A 39 -5.725 -2.717 -4.100 1.00 0.00 N ATOM 562 CA LEU A 39 -5.088 -3.665 -3.194 1.00 0.00 C ATOM 563 C LEU A 39 -5.650 -5.069 -3.390 1.00 0.00 C ATOM 564 O LEU A 39 -4.914 -6.055 -3.351 1.00 0.00 O ATOM 565 CB LEU A 39 -5.280 -3.224 -1.742 1.00 0.00 C ATOM 566 CG LEU A 39 -4.539 -1.944 -1.350 1.00 0.00 C ATOM 567 CD1 LEU A 39 -4.919 -1.519 0.060 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.035 -2.145 -1.462 1.00 0.00 C ATOM 0 H LEU A 39 -6.302 -2.015 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.022 -3.685 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.345 -3.079 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.952 -4.031 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.832 -1.151 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.383 -0.607 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.992 -1.335 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.655 -2.310 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.523 -1.225 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.725 -2.951 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.778 -2.403 -2.489 1.00 0.00 H new ATOM 580 N ARG A 40 -6.960 -5.151 -3.600 1.00 0.00 N ATOM 581 CA ARG A 40 -7.623 -6.434 -3.801 1.00 0.00 C ATOM 582 C ARG A 40 -7.060 -7.157 -5.011 1.00 0.00 C ATOM 583 O ARG A 40 -6.695 -8.331 -4.932 1.00 0.00 O ATOM 584 CB ARG A 40 -9.131 -6.235 -3.966 1.00 0.00 C ATOM 585 CG ARG A 40 -9.959 -7.399 -3.445 1.00 0.00 C ATOM 586 CD ARG A 40 -11.378 -7.361 -3.989 1.00 0.00 C ATOM 587 NE ARG A 40 -11.469 -7.961 -5.318 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.609 -8.375 -5.868 1.00 0.00 C ATOM 589 NH1 ARG A 40 -13.754 -8.255 -5.208 1.00 0.00 N ATOM 590 NH2 ARG A 40 -12.604 -8.910 -7.081 1.00 0.00 N ATOM 0 H ARG A 40 -7.583 -4.344 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.439 -7.047 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.428 -5.326 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.356 -6.084 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.485 -8.339 -3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.985 -7.370 -2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.043 -7.890 -3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.722 -6.328 -4.033 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.609 -8.069 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.764 -7.844 -4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.624 -8.574 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.727 -9.005 -7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.477 -9.227 -7.502 1.00 0.00 H new ATOM 604 N GLN A 41 -6.995 -6.457 -6.129 1.00 0.00 N ATOM 605 CA GLN A 41 -6.477 -7.045 -7.351 1.00 0.00 C ATOM 606 C GLN A 41 -4.956 -7.162 -7.303 1.00 0.00 C ATOM 607 O GLN A 41 -4.385 -8.149 -7.767 1.00 0.00 O ATOM 608 CB GLN A 41 -6.905 -6.222 -8.568 1.00 0.00 C ATOM 609 CG GLN A 41 -6.464 -4.768 -8.506 1.00 0.00 C ATOM 610 CD GLN A 41 -5.236 -4.495 -9.352 1.00 0.00 C ATOM 611 OE1 GLN A 41 -4.215 -5.168 -9.219 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.331 -3.501 -10.228 1.00 0.00 N ATOM 0 H GLN A 41 -7.293 -5.485 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.894 -8.048 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.494 -6.679 -9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.991 -6.260 -8.658 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.281 -4.130 -8.842 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.254 -4.499 -7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.198 -2.969 -10.304 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.537 -3.269 -10.825 1.00 0.00 H new ATOM 621 N ASP A 42 -4.306 -6.149 -6.739 1.00 0.00 N ATOM 622 CA ASP A 42 -2.852 -6.140 -6.631 1.00 0.00 C ATOM 623 C ASP A 42 -2.368 -7.265 -5.721 1.00 0.00 C ATOM 624 O ASP A 42 -1.487 -8.041 -6.089 1.00 0.00 O ATOM 625 CB ASP A 42 -2.366 -4.792 -6.099 1.00 0.00 C ATOM 626 CG ASP A 42 -0.854 -4.689 -6.078 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.237 -5.183 -5.110 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.285 -4.114 -7.031 1.00 0.00 O ATOM 0 H ASP A 42 -4.763 -5.324 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.438 -6.298 -7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.773 -3.992 -6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.751 -4.642 -5.090 1.00 0.00 H new ATOM 633 N LEU A 43 -2.951 -7.345 -4.530 1.00 0.00 N ATOM 634 CA LEU A 43 -2.581 -8.373 -3.564 1.00 0.00 C ATOM 635 C LEU A 43 -3.331 -9.676 -3.834 1.00 0.00 C ATOM 636 O LEU A 43 -2.902 -10.748 -3.406 1.00 0.00 O ATOM 637 CB LEU A 43 -2.867 -7.892 -2.140 1.00 0.00 C ATOM 638 CG LEU A 43 -2.019 -6.708 -1.675 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.722 -5.956 -0.555 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.647 -7.183 -1.221 1.00 0.00 C ATOM 0 H LEU A 43 -3.682 -6.710 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.513 -8.564 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.919 -7.615 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.710 -8.724 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.887 -6.027 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.104 -5.117 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.682 -5.584 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.884 -6.627 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.056 -6.328 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.760 -7.884 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.141 -7.678 -2.050 1.00 0.00 H new ATOM 652 N GLU A 44 -4.454 -9.578 -4.541 1.00 0.00 N ATOM 653 CA GLU A 44 -5.259 -10.751 -4.863 1.00 0.00 C ATOM 654 C GLU A 44 -5.804 -11.399 -3.594 1.00 0.00 C ATOM 655 O GLU A 44 -5.284 -12.416 -3.132 1.00 0.00 O ATOM 656 CB GLU A 44 -4.433 -11.765 -5.657 1.00 0.00 C ATOM 657 CG GLU A 44 -4.569 -11.614 -7.162 1.00 0.00 C ATOM 658 CD GLU A 44 -4.349 -12.920 -7.902 1.00 0.00 C ATOM 659 OE1 GLU A 44 -3.676 -13.812 -7.344 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.849 -13.049 -9.038 1.00 0.00 O ATOM 0 H GLU A 44 -4.826 -8.699 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.101 -10.426 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.383 -11.660 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.738 -12.772 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.562 -11.231 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.850 -10.875 -7.516 1.00 0.00 H new ATOM 667 N ALA A 45 -6.851 -10.802 -3.034 1.00 0.00 N ATOM 668 CA ALA A 45 -7.465 -11.320 -1.818 1.00 0.00 C ATOM 669 C ALA A 45 -8.839 -11.918 -2.107 1.00 0.00 C ATOM 670 O ALA A 45 -9.271 -11.977 -3.257 1.00 0.00 O ATOM 671 CB ALA A 45 -7.576 -10.218 -0.775 1.00 0.00 C ATOM 0 H ALA A 45 -7.292 -9.959 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.828 -12.114 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.036 -10.617 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.582 -9.839 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.190 -9.407 -1.167 1.00 0.00 H new ATOM 677 N GLU A 46 -9.519 -12.359 -1.053 1.00 0.00 N ATOM 678 CA GLU A 46 -10.844 -12.952 -1.193 1.00 0.00 C ATOM 679 C GLU A 46 -11.931 -11.946 -0.826 1.00 0.00 C ATOM 680 O GLU A 46 -12.840 -11.685 -1.614 1.00 0.00 O ATOM 681 CB GLU A 46 -10.964 -14.195 -0.310 1.00 0.00 C ATOM 682 CG GLU A 46 -12.163 -15.066 -0.646 1.00 0.00 C ATOM 683 CD GLU A 46 -11.933 -15.926 -1.875 1.00 0.00 C ATOM 684 OE1 GLU A 46 -10.789 -16.389 -2.070 1.00 0.00 O ATOM 685 OE2 GLU A 46 -12.897 -16.137 -2.640 1.00 0.00 O ATOM 0 H GLU A 46 -9.175 -12.317 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.978 -13.241 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.055 -14.789 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.032 -13.885 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.391 -15.708 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.034 -14.431 -0.809 1.00 0.00 H new ATOM 692 N HIS A 47 -11.830 -11.386 0.375 1.00 0.00 N ATOM 693 CA HIS A 47 -12.803 -10.408 0.847 1.00 0.00 C ATOM 694 C HIS A 47 -12.107 -9.160 1.378 1.00 0.00 C ATOM 695 O HIS A 47 -11.173 -9.251 2.176 1.00 0.00 O ATOM 696 CB HIS A 47 -13.684 -11.020 1.938 1.00 0.00 C ATOM 697 CG HIS A 47 -14.941 -11.642 1.413 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.201 -11.232 1.797 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.129 -12.651 0.530 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.108 -11.961 1.173 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.483 -12.829 0.398 1.00 0.00 N ATOM 0 H HIS A 47 -11.084 -11.593 1.039 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.430 -10.120 0.003 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.111 -11.776 2.475 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.945 -10.246 2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.357 -13.211 0.024 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -18.178 -11.864 1.278 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -16.934 -13.520 -0.202 1.00 0.00 H new ATOM 710 N VAL A 48 -12.566 -7.996 0.932 1.00 0.00 N ATOM 711 CA VAL A 48 -11.987 -6.730 1.363 1.00 0.00 C ATOM 712 C VAL A 48 -13.074 -5.712 1.692 1.00 0.00 C ATOM 713 O VAL A 48 -14.145 -5.714 1.085 1.00 0.00 O ATOM 714 CB VAL A 48 -11.057 -6.141 0.287 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.825 -7.015 0.108 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.801 -5.980 -1.030 1.00 0.00 C ATOM 0 H VAL A 48 -13.338 -7.903 0.272 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.404 -6.939 2.260 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.729 -5.155 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.180 -6.582 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.281 -7.074 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.130 -8.016 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.128 -5.562 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.160 -6.953 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.649 -5.309 -0.889 1.00 0.00 H new ATOM 726 N GLU A 49 -12.790 -4.841 2.655 1.00 0.00 N ATOM 727 CA GLU A 49 -13.743 -3.816 3.064 1.00 0.00 C ATOM 728 C GLU A 49 -13.034 -2.495 3.342 1.00 0.00 C ATOM 729 O GLU A 49 -12.163 -2.417 4.209 1.00 0.00 O ATOM 730 CB GLU A 49 -14.508 -4.269 4.308 1.00 0.00 C ATOM 731 CG GLU A 49 -15.780 -5.041 3.992 1.00 0.00 C ATOM 732 CD GLU A 49 -16.710 -5.145 5.185 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.330 -5.797 6.179 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.819 -4.573 5.124 1.00 0.00 O ATOM 0 H GLU A 49 -11.908 -4.825 3.166 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.449 -3.664 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.856 -4.894 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.763 -3.394 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.303 -4.552 3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.518 -6.043 3.652 1.00 0.00 H new ATOM 741 N VAL A 50 -13.412 -1.458 2.602 1.00 0.00 N ATOM 742 CA VAL A 50 -12.812 -0.140 2.769 1.00 0.00 C ATOM 743 C VAL A 50 -13.784 0.824 3.444 1.00 0.00 C ATOM 744 O VAL A 50 -15.000 0.705 3.290 1.00 0.00 O ATOM 745 CB VAL A 50 -12.368 0.451 1.416 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.563 0.633 0.490 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.637 1.769 1.621 1.00 0.00 C ATOM 0 H VAL A 50 -14.131 -1.505 1.881 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.935 -0.268 3.403 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.679 -0.250 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.228 1.051 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.037 -0.333 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.281 1.311 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.332 2.170 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.299 2.479 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.755 1.604 2.240 1.00 0.00 H new ATOM 757 N GLU A 51 -13.239 1.778 4.191 1.00 0.00 N ATOM 758 CA GLU A 51 -14.057 2.763 4.889 1.00 0.00 C ATOM 759 C GLU A 51 -13.390 4.134 4.874 1.00 0.00 C ATOM 760 O GLU A 51 -12.193 4.250 4.611 1.00 0.00 O ATOM 761 CB GLU A 51 -14.309 2.320 6.331 1.00 0.00 C ATOM 762 CG GLU A 51 -15.346 3.163 7.055 1.00 0.00 C ATOM 763 CD GLU A 51 -16.659 3.247 6.302 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.722 3.989 5.300 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.623 2.568 6.713 1.00 0.00 O ATOM 0 H GLU A 51 -12.235 1.890 4.329 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.012 2.839 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.635 1.280 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.370 2.360 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.525 2.741 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.952 4.168 7.204 1.00 0.00 H new ATOM 772 N ASP A 52 -14.174 5.167 5.157 1.00 0.00 N ATOM 773 CA ASP A 52 -13.663 6.531 5.175 1.00 0.00 C ATOM 774 C ASP A 52 -14.439 7.388 6.172 1.00 0.00 C ATOM 775 O ASP A 52 -15.630 7.173 6.395 1.00 0.00 O ATOM 776 CB ASP A 52 -13.752 7.141 3.773 1.00 0.00 C ATOM 777 CG ASP A 52 -13.311 8.592 3.737 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.108 8.853 3.953 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.168 9.467 3.493 1.00 0.00 O ATOM 0 H ASP A 52 -15.167 5.086 5.377 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.619 6.505 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.133 6.560 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.779 7.069 3.414 1.00 0.00 H new ATOM 904 N SER A 61 -9.166 10.084 7.376 1.00 0.00 N ATOM 905 CA SER A 61 -8.587 8.766 7.599 1.00 0.00 C ATOM 906 C SER A 61 -9.239 7.725 6.695 1.00 0.00 C ATOM 907 O SER A 61 -10.397 7.869 6.301 1.00 0.00 O ATOM 908 CB SER A 61 -8.747 8.357 9.065 1.00 0.00 C ATOM 909 OG SER A 61 -10.086 8.522 9.498 1.00 0.00 O ATOM 0 HA SER A 61 -7.526 8.817 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.447 7.317 9.190 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.084 8.957 9.688 1.00 0.00 H new ATOM 0 HG SER A 61 -10.533 9.185 8.932 1.00 0.00 H new ATOM 915 N PHE A 62 -8.489 6.679 6.367 1.00 0.00 N ATOM 916 CA PHE A 62 -8.995 5.614 5.509 1.00 0.00 C ATOM 917 C PHE A 62 -8.711 4.244 6.113 1.00 0.00 C ATOM 918 O PHE A 62 -7.581 3.950 6.506 1.00 0.00 O ATOM 919 CB PHE A 62 -8.366 5.711 4.117 1.00 0.00 C ATOM 920 CG PHE A 62 -8.974 6.782 3.256 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.226 6.604 2.688 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.295 7.964 3.015 1.00 0.00 C ATOM 923 CE1 PHE A 62 -10.788 7.587 1.896 1.00 0.00 C ATOM 924 CE2 PHE A 62 -8.851 8.951 2.223 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.100 8.761 1.663 1.00 0.00 C ATOM 0 H PHE A 62 -7.528 6.546 6.682 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.075 5.734 5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.298 5.904 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.468 4.750 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.768 5.687 2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.319 8.117 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.764 7.437 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.311 9.868 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.537 9.530 1.044 1.00 0.00 H new ATOM 935 N ARG A 63 -9.741 3.408 6.183 1.00 0.00 N ATOM 936 CA ARG A 63 -9.603 2.067 6.740 1.00 0.00 C ATOM 937 C ARG A 63 -9.765 1.009 5.653 1.00 0.00 C ATOM 938 O ARG A 63 -10.721 1.040 4.880 1.00 0.00 O ATOM 939 CB ARG A 63 -10.636 1.842 7.847 1.00 0.00 C ATOM 940 CG ARG A 63 -10.117 0.999 9.000 1.00 0.00 C ATOM 941 CD ARG A 63 -11.036 1.083 10.207 1.00 0.00 C ATOM 942 NE ARG A 63 -12.283 0.350 9.998 1.00 0.00 N ATOM 943 CZ ARG A 63 -13.384 0.538 10.723 1.00 0.00 C ATOM 944 NH1 ARG A 63 -13.397 1.432 11.703 1.00 0.00 N ATOM 945 NH2 ARG A 63 -14.474 -0.171 10.465 1.00 0.00 N ATOM 0 H ARG A 63 -10.682 3.635 5.861 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.603 1.977 7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.960 2.809 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.514 1.358 7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.027 -0.039 8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.118 1.335 9.278 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.523 0.683 11.082 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.261 2.128 10.419 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.312 -0.346 9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.561 1.980 11.905 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.243 1.572 12.255 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.468 -0.859 9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.318 -0.028 11.019 1.00 0.00 H new ATOM 959 N VAL A 64 -8.823 0.073 5.600 1.00 0.00 N ATOM 960 CA VAL A 64 -8.861 -0.994 4.608 1.00 0.00 C ATOM 961 C VAL A 64 -8.728 -2.363 5.267 1.00 0.00 C ATOM 962 O VAL A 64 -7.898 -2.559 6.155 1.00 0.00 O ATOM 963 CB VAL A 64 -7.743 -0.831 3.563 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.018 0.366 2.666 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.390 -0.694 4.246 1.00 0.00 C ATOM 0 H VAL A 64 -8.024 0.032 6.233 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.828 -0.925 4.109 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.722 -1.725 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.216 0.464 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.966 0.222 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.069 1.271 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.612 -0.580 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.397 0.181 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.191 -1.585 4.841 1.00 0.00 H new ATOM 975 N LEU A 65 -9.554 -3.309 4.827 1.00 0.00 N ATOM 976 CA LEU A 65 -9.529 -4.660 5.373 1.00 0.00 C ATOM 977 C LEU A 65 -9.339 -5.690 4.264 1.00 0.00 C ATOM 978 O LEU A 65 -9.880 -5.544 3.168 1.00 0.00 O ATOM 979 CB LEU A 65 -10.824 -4.947 6.135 1.00 0.00 C ATOM 980 CG LEU A 65 -10.688 -5.943 7.289 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.393 -7.339 6.759 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.601 -5.494 8.254 1.00 0.00 C ATOM 0 H LEU A 65 -10.248 -3.163 4.094 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.687 -4.733 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.212 -4.008 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.565 -5.327 5.432 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.634 -5.976 7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.300 -8.033 7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.207 -7.661 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.461 -7.324 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.518 -6.214 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.649 -5.431 7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.856 -4.515 8.660 1.00 0.00 H new ATOM 994 N VAL A 66 -8.566 -6.732 4.556 1.00 0.00 N ATOM 995 CA VAL A 66 -8.306 -7.785 3.582 1.00 0.00 C ATOM 996 C VAL A 66 -8.218 -9.151 4.255 1.00 0.00 C ATOM 997 O VAL A 66 -7.508 -9.322 5.246 1.00 0.00 O ATOM 998 CB VAL A 66 -7.000 -7.524 2.807 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.840 -8.529 1.676 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.972 -6.100 2.274 1.00 0.00 C ATOM 0 H VAL A 66 -8.110 -6.869 5.458 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.143 -7.781 2.884 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.161 -7.647 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.912 -8.329 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.811 -9.538 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.682 -8.441 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.043 -5.934 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.818 -5.946 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.036 -5.399 3.106 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.941 -10.121 3.707 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.945 -11.474 4.249 1.00 0.00 C ATOM 1012 C VAL A 67 -8.604 -12.494 3.168 1.00 0.00 C ATOM 1013 O VAL A 67 -9.305 -12.604 2.163 1.00 0.00 O ATOM 1014 CB VAL A 67 -10.312 -11.831 4.863 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -10.247 -13.176 5.571 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.768 -10.740 5.820 1.00 0.00 C ATOM 0 H VAL A 67 -9.533 -9.995 2.886 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.187 -11.506 5.031 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.042 -11.906 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.222 -13.410 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.969 -13.950 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.504 -13.133 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.735 -11.009 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.038 -10.631 6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.858 -9.797 5.281 1.00 0.00 H new ATOM 1026 N SER A 68 -7.522 -13.236 3.380 1.00 0.00 N ATOM 1027 CA SER A 68 -7.090 -14.244 2.419 1.00 0.00 C ATOM 1028 C SER A 68 -5.898 -15.032 2.953 1.00 0.00 C ATOM 1029 O SER A 68 -5.458 -14.823 4.084 1.00 0.00 O ATOM 1030 CB SER A 68 -6.726 -13.583 1.087 1.00 0.00 C ATOM 1031 OG SER A 68 -6.460 -12.202 1.258 1.00 0.00 O ATOM 0 H SER A 68 -6.930 -13.159 4.207 1.00 0.00 H new ATOM 0 HA SER A 68 -7.916 -14.937 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.852 -14.075 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.543 -13.714 0.377 1.00 0.00 H new ATOM 0 HG SER A 68 -5.806 -11.910 0.589 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.379 -15.938 2.130 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.238 -16.759 2.517 1.00 0.00 C ATOM 1039 C ALA A 69 -2.948 -16.260 1.869 1.00 0.00 C ATOM 1040 O ALA A 69 -1.850 -16.609 2.304 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.486 -18.213 2.146 1.00 0.00 C ATOM 0 H ALA A 69 -5.731 -16.122 1.191 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.121 -16.682 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.627 -18.815 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.376 -18.574 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.634 -18.294 1.069 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.083 -15.443 0.827 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.924 -14.900 0.126 1.00 0.00 C ATOM 1049 C LYS A 70 -0.975 -14.200 1.094 1.00 0.00 C ATOM 1050 O LYS A 70 0.236 -14.167 0.879 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.372 -13.924 -0.962 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.397 -13.813 -2.123 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.549 -12.556 -2.021 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.142 -12.046 -3.395 1.00 0.00 C ATOM 1055 NZ LYS A 70 1.120 -12.677 -3.871 1.00 0.00 N ATOM 0 H LYS A 70 -3.982 -15.143 0.450 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.391 -15.731 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.343 -14.240 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.509 -12.938 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.749 -14.690 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.949 -13.806 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.106 -11.781 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.343 -12.764 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.941 -12.249 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.015 -10.964 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.363 -12.303 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.888 -12.463 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.992 -13.707 -3.932 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.536 -13.642 2.163 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.741 -12.943 3.166 1.00 0.00 C ATOM 1071 C PHE A 71 0.018 -13.931 4.046 1.00 0.00 C ATOM 1072 O PHE A 71 1.113 -13.638 4.524 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.638 -12.056 4.031 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.978 -10.741 3.392 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.993 -9.971 2.793 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.283 -10.273 3.389 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.304 -8.760 2.203 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.598 -9.062 2.802 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.608 -8.305 2.208 1.00 0.00 C ATOM 0 H PHE A 71 -2.537 -13.661 2.356 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.016 -12.317 2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.561 -12.592 4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.141 -11.870 4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.029 -10.321 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.062 -10.861 3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.528 -8.170 1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.618 -8.708 2.808 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.853 -7.359 1.748 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.573 -15.103 4.256 1.00 0.00 N ATOM 1090 CA GLU A 72 0.046 -16.135 5.079 1.00 0.00 C ATOM 1091 C GLU A 72 1.393 -16.559 4.499 1.00 0.00 C ATOM 1092 O GLU A 72 2.361 -16.755 5.233 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.882 -17.346 5.191 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.601 -17.440 6.526 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.723 -18.012 7.622 1.00 0.00 C ATOM 1096 OE1 GLU A 72 0.326 -17.403 7.921 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.083 -19.069 8.180 1.00 0.00 O ATOM 0 H GLU A 72 -1.480 -15.361 3.867 1.00 0.00 H new ATOM 0 HA GLU A 72 0.216 -15.722 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.622 -17.301 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.300 -18.255 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.944 -16.448 6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.488 -18.063 6.414 1.00 0.00 H new ATOM 1104 N GLY A 73 1.445 -16.698 3.179 1.00 0.00 N ATOM 1105 CA GLY A 73 2.677 -17.098 2.524 1.00 0.00 C ATOM 1106 C GLY A 73 3.818 -16.138 2.796 1.00 0.00 C ATOM 1107 O GLY A 73 4.979 -16.543 2.855 1.00 0.00 O ATOM 0 H GLY A 73 0.657 -16.541 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.957 -18.095 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.509 -17.162 1.449 1.00 0.00 H new ATOM 1111 N LYS A 74 3.487 -14.860 2.961 1.00 0.00 N ATOM 1112 CA LYS A 74 4.493 -13.840 3.228 1.00 0.00 C ATOM 1113 C LYS A 74 4.533 -13.490 4.713 1.00 0.00 C ATOM 1114 O LYS A 74 3.526 -13.597 5.413 1.00 0.00 O ATOM 1115 CB LYS A 74 4.206 -12.583 2.404 1.00 0.00 C ATOM 1116 CG LYS A 74 3.857 -12.873 0.953 1.00 0.00 C ATOM 1117 CD LYS A 74 4.425 -11.815 0.021 1.00 0.00 C ATOM 1118 CE LYS A 74 5.714 -12.284 -0.635 1.00 0.00 C ATOM 1119 NZ LYS A 74 5.469 -12.891 -1.972 1.00 0.00 N ATOM 0 H LYS A 74 2.531 -14.508 2.914 1.00 0.00 H new ATOM 0 HA LYS A 74 5.465 -14.241 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.383 -12.037 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.079 -11.931 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.245 -13.852 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.774 -12.915 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.691 -11.574 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.613 -10.899 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.396 -11.440 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.205 -13.013 0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.373 -13.198 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.839 -13.712 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.024 -12.188 -2.596 1.00 0.00 H new ATOM 1133 N PRO A 75 5.705 -13.064 5.217 1.00 0.00 N ATOM 1134 CA PRO A 75 5.872 -12.698 6.627 1.00 0.00 C ATOM 1135 C PRO A 75 4.829 -11.688 7.090 1.00 0.00 C ATOM 1136 O PRO A 75 4.197 -11.015 6.276 1.00 0.00 O ATOM 1137 CB PRO A 75 7.272 -12.080 6.672 1.00 0.00 C ATOM 1138 CG PRO A 75 7.992 -12.690 5.520 1.00 0.00 C ATOM 1139 CD PRO A 75 6.957 -12.907 4.452 1.00 0.00 C ATOM 0 HA PRO A 75 5.750 -13.556 7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.229 -10.995 6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.773 -12.302 7.614 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.787 -12.034 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.460 -13.632 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.905 -12.062 3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.176 -13.791 3.854 1.00 0.00 H new ATOM 1147 N LEU A 76 4.653 -11.587 8.404 1.00 0.00 N ATOM 1148 CA LEU A 76 3.685 -10.658 8.977 1.00 0.00 C ATOM 1149 C LEU A 76 4.018 -9.220 8.590 1.00 0.00 C ATOM 1150 O LEU A 76 3.148 -8.468 8.151 1.00 0.00 O ATOM 1151 CB LEU A 76 3.654 -10.796 10.499 1.00 0.00 C ATOM 1152 CG LEU A 76 2.703 -9.837 11.217 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.115 -10.494 12.455 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.426 -8.549 11.588 1.00 0.00 C ATOM 0 H LEU A 76 5.168 -12.137 9.092 1.00 0.00 H new ATOM 0 HA LEU A 76 2.701 -10.904 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.372 -11.819 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.662 -10.639 10.883 1.00 0.00 H new ATOM 0 HG LEU A 76 1.886 -9.591 10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.441 -9.796 12.952 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.562 -11.388 12.165 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.919 -10.770 13.137 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.735 -7.878 12.098 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.263 -8.778 12.248 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.799 -8.068 10.684 1.00 0.00 H new ATOM 1166 N LEU A 77 5.282 -8.845 8.760 1.00 0.00 N ATOM 1167 CA LEU A 77 5.729 -7.497 8.429 1.00 0.00 C ATOM 1168 C LEU A 77 5.655 -7.251 6.925 1.00 0.00 C ATOM 1169 O LEU A 77 5.431 -6.126 6.481 1.00 0.00 O ATOM 1170 CB LEU A 77 7.160 -7.275 8.923 1.00 0.00 C ATOM 1171 CG LEU A 77 8.212 -8.191 8.293 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.522 -7.444 8.099 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.425 -9.428 9.153 1.00 0.00 C ATOM 0 H LEU A 77 6.014 -9.455 9.125 1.00 0.00 H new ATOM 0 HA LEU A 77 5.066 -6.790 8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.439 -6.239 8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.181 -7.413 10.004 1.00 0.00 H new ATOM 0 HG LEU A 77 7.850 -8.510 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.258 -8.111 7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.359 -6.589 7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.889 -7.096 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.176 -10.068 8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.765 -9.128 10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.487 -9.975 9.242 1.00 0.00 H new ATOM 1185 N GLN A 78 5.843 -8.312 6.146 1.00 0.00 N ATOM 1186 CA GLN A 78 5.797 -8.211 4.693 1.00 0.00 C ATOM 1187 C GLN A 78 4.391 -7.862 4.215 1.00 0.00 C ATOM 1188 O GLN A 78 4.219 -7.191 3.197 1.00 0.00 O ATOM 1189 CB GLN A 78 6.253 -9.524 4.054 1.00 0.00 C ATOM 1190 CG GLN A 78 6.724 -9.370 2.617 1.00 0.00 C ATOM 1191 CD GLN A 78 8.127 -8.806 2.521 1.00 0.00 C ATOM 1192 OE1 GLN A 78 8.740 -8.460 3.530 1.00 0.00 O ATOM 1193 NE2 GLN A 78 8.644 -8.710 1.301 1.00 0.00 N ATOM 0 H GLN A 78 6.029 -9.251 6.498 1.00 0.00 H new ATOM 0 HA GLN A 78 6.474 -7.412 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.062 -9.946 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.430 -10.238 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.692 -10.341 2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.036 -8.716 2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.100 -9.009 0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.585 -8.337 1.174 1.00 0.00 H new ATOM 1202 N ARG A 79 3.389 -8.319 4.958 1.00 0.00 N ATOM 1203 CA ARG A 79 1.998 -8.054 4.611 1.00 0.00 C ATOM 1204 C ARG A 79 1.704 -6.558 4.643 1.00 0.00 C ATOM 1205 O ARG A 79 1.257 -5.981 3.652 1.00 0.00 O ATOM 1206 CB ARG A 79 1.061 -8.789 5.572 1.00 0.00 C ATOM 1207 CG ARG A 79 1.183 -10.304 5.500 1.00 0.00 C ATOM 1208 CD ARG A 79 0.730 -10.960 6.793 1.00 0.00 C ATOM 1209 NE ARG A 79 1.410 -12.231 7.029 1.00 0.00 N ATOM 1210 CZ ARG A 79 1.297 -12.935 8.153 1.00 0.00 C ATOM 1211 NH1 ARG A 79 0.534 -12.496 9.147 1.00 0.00 N ATOM 1212 NH2 ARG A 79 1.949 -14.083 8.285 1.00 0.00 N ATOM 0 H ARG A 79 3.514 -8.875 5.804 1.00 0.00 H new ATOM 0 HA ARG A 79 1.828 -8.418 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.271 -8.464 6.591 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.032 -8.505 5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.584 -10.680 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.218 -10.578 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.921 -10.286 7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.347 -11.126 6.758 1.00 0.00 H new ATOM 0 HE ARG A 79 2.007 -12.601 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.030 -11.614 9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.452 -13.040 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.537 -14.426 7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.862 -14.623 9.146 1.00 0.00 H new ATOM 1226 N HIS A 80 1.959 -5.934 5.789 1.00 0.00 N ATOM 1227 CA HIS A 80 1.722 -4.505 5.950 1.00 0.00 C ATOM 1228 C HIS A 80 2.580 -3.698 4.981 1.00 0.00 C ATOM 1229 O HIS A 80 2.106 -2.748 4.360 1.00 0.00 O ATOM 1230 CB HIS A 80 2.017 -4.077 7.388 1.00 0.00 C ATOM 1231 CG HIS A 80 0.901 -4.371 8.341 1.00 0.00 C ATOM 1232 ND1 HIS A 80 0.758 -3.730 9.554 1.00 0.00 N ATOM 1233 CD2 HIS A 80 -0.131 -5.245 8.256 1.00 0.00 C ATOM 1234 CE1 HIS A 80 -0.313 -4.196 10.173 1.00 0.00 C ATOM 1235 NE2 HIS A 80 -0.870 -5.115 9.406 1.00 0.00 N ATOM 0 H HIS A 80 2.330 -6.396 6.619 1.00 0.00 H new ATOM 0 HA HIS A 80 0.673 -4.309 5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.919 -4.583 7.731 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.225 -3.007 7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.334 -5.918 7.436 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.671 -3.879 11.141 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.713 -5.643 9.631 1.00 0.00 H new ATOM 1244 N ARG A 81 3.846 -4.085 4.857 1.00 0.00 N ATOM 1245 CA ARG A 81 4.770 -3.399 3.963 1.00 0.00 C ATOM 1246 C ARG A 81 4.306 -3.501 2.513 1.00 0.00 C ATOM 1247 O ARG A 81 4.540 -2.600 1.710 1.00 0.00 O ATOM 1248 CB ARG A 81 6.177 -3.984 4.101 1.00 0.00 C ATOM 1249 CG ARG A 81 7.284 -2.953 3.943 1.00 0.00 C ATOM 1250 CD ARG A 81 8.532 -3.562 3.323 1.00 0.00 C ATOM 1251 NE ARG A 81 9.643 -3.613 4.269 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.826 -4.157 3.995 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.055 -4.700 2.805 1.00 0.00 N ATOM 1254 NH2 ARG A 81 11.784 -4.160 4.913 1.00 0.00 N ATOM 0 H ARG A 81 4.254 -4.870 5.365 1.00 0.00 H new ATOM 0 HA ARG A 81 4.791 -2.346 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.270 -4.458 5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.311 -4.766 3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.931 -2.132 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.530 -2.530 4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.308 -4.569 2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.825 -2.978 2.450 1.00 0.00 H new ATOM 0 HE ARG A 81 9.504 -3.208 5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.322 -4.701 2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.964 -5.116 2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.614 -3.745 5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.691 -4.577 4.703 1.00 0.00 H new ATOM 1268 N LEU A 82 3.643 -4.607 2.187 1.00 0.00 N ATOM 1269 CA LEU A 82 3.145 -4.829 0.835 1.00 0.00 C ATOM 1270 C LEU A 82 2.086 -3.794 0.469 1.00 0.00 C ATOM 1271 O LEU A 82 2.136 -3.193 -0.605 1.00 0.00 O ATOM 1272 CB LEU A 82 2.564 -6.239 0.710 1.00 0.00 C ATOM 1273 CG LEU A 82 3.558 -7.312 0.263 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.101 -8.687 0.723 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.729 -7.282 -1.247 1.00 0.00 C ATOM 0 H LEU A 82 3.439 -5.363 2.841 1.00 0.00 H new ATOM 0 HA LEU A 82 3.981 -4.725 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.147 -6.530 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.737 -6.213 0.000 1.00 0.00 H new ATOM 0 HG LEU A 82 4.524 -7.101 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.820 -9.438 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.030 -8.702 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.124 -8.909 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.440 -8.052 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.768 -7.468 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.103 -6.304 -1.552 1.00 0.00 H new ATOM 1287 N VAL A 83 1.129 -3.590 1.368 1.00 0.00 N ATOM 1288 CA VAL A 83 0.058 -2.628 1.140 1.00 0.00 C ATOM 1289 C VAL A 83 0.611 -1.210 1.024 1.00 0.00 C ATOM 1290 O VAL A 83 0.077 -0.384 0.284 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.988 -2.669 2.270 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.173 -1.775 1.938 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.445 -4.099 2.525 1.00 0.00 C ATOM 0 H VAL A 83 1.074 -4.079 2.262 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.423 -2.907 0.203 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.523 -2.292 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.900 -1.818 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.830 -0.748 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.639 -2.117 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.184 -4.107 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.890 -4.506 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.589 -4.708 2.814 1.00 0.00 H new ATOM 1303 N ASN A 84 1.682 -0.937 1.761 1.00 0.00 N ATOM 1304 CA ASN A 84 2.307 0.381 1.741 1.00 0.00 C ATOM 1305 C ASN A 84 3.050 0.611 0.430 1.00 0.00 C ATOM 1306 O ASN A 84 3.078 1.727 -0.092 1.00 0.00 O ATOM 1307 CB ASN A 84 3.272 0.528 2.919 1.00 0.00 C ATOM 1308 CG ASN A 84 2.556 0.537 4.256 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.504 1.160 4.405 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.124 -0.154 5.237 1.00 0.00 N ATOM 0 H ASN A 84 2.135 -1.610 2.379 1.00 0.00 H new ATOM 0 HA ASN A 84 1.520 1.130 1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.991 -0.291 2.901 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.839 1.452 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.688 -0.183 6.159 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.996 -0.656 5.069 1.00 0.00 H new ATOM 1317 N GLU A 85 3.650 -0.451 -0.100 1.00 0.00 N ATOM 1318 CA GLU A 85 4.392 -0.362 -1.352 1.00 0.00 C ATOM 1319 C GLU A 85 3.469 0.005 -2.508 1.00 0.00 C ATOM 1320 O GLU A 85 3.835 0.793 -3.382 1.00 0.00 O ATOM 1321 CB GLU A 85 5.094 -1.691 -1.647 1.00 0.00 C ATOM 1322 CG GLU A 85 6.309 -1.944 -0.770 1.00 0.00 C ATOM 1323 CD GLU A 85 7.464 -2.557 -1.538 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.213 -3.452 -2.372 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.618 -2.142 -1.304 1.00 0.00 O ATOM 0 H GLU A 85 3.637 -1.381 0.318 1.00 0.00 H new ATOM 0 HA GLU A 85 5.141 0.423 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.383 -2.506 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.401 -1.706 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.633 -1.004 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.030 -2.606 0.049 1.00 0.00 H new ATOM 1332 N CYS A 86 2.271 -0.568 -2.508 1.00 0.00 N ATOM 1333 CA CYS A 86 1.294 -0.300 -3.558 1.00 0.00 C ATOM 1334 C CYS A 86 0.935 1.182 -3.600 1.00 0.00 C ATOM 1335 O CYS A 86 1.128 1.849 -4.617 1.00 0.00 O ATOM 1336 CB CYS A 86 0.033 -1.136 -3.336 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.732 -1.737 -4.859 1.00 0.00 S ATOM 0 H CYS A 86 1.952 -1.221 -1.793 1.00 0.00 H new ATOM 0 HA CYS A 86 1.740 -0.575 -4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.282 -1.990 -2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.695 -0.538 -2.788 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.789 -2.435 -4.567 1.00 0.00 H new ATOM 1343 N LEU A 87 0.414 1.691 -2.489 1.00 0.00 N ATOM 1344 CA LEU A 87 0.028 3.095 -2.399 1.00 0.00 C ATOM 1345 C LEU A 87 1.149 3.927 -1.784 1.00 0.00 C ATOM 1346 O LEU A 87 0.910 4.764 -0.912 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.249 3.242 -1.568 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.310 2.167 -1.817 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.328 2.151 -0.687 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -2.998 2.400 -3.154 1.00 0.00 C ATOM 0 H LEU A 87 0.249 1.153 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.160 3.461 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.981 3.229 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.688 4.219 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.817 1.195 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.075 1.381 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.823 1.938 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.817 3.123 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.749 1.627 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.479 3.378 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.260 2.362 -3.955 1.00 0.00 H new ATOM 1362 N ALA A 88 2.374 3.691 -2.243 1.00 0.00 N ATOM 1363 CA ALA A 88 3.533 4.417 -1.738 1.00 0.00 C ATOM 1364 C ALA A 88 3.423 5.907 -2.040 1.00 0.00 C ATOM 1365 O ALA A 88 3.668 6.745 -1.172 1.00 0.00 O ATOM 1366 CB ALA A 88 4.811 3.849 -2.335 1.00 0.00 C ATOM 0 H ALA A 88 2.589 3.002 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 88 3.564 4.295 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.669 4.400 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.903 2.797 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.778 3.942 -3.421 1.00 0.00 H new ATOM 1372 N GLU A 89 3.054 6.232 -3.274 1.00 0.00 N ATOM 1373 CA GLU A 89 2.913 7.622 -3.691 1.00 0.00 C ATOM 1374 C GLU A 89 1.638 8.237 -3.122 1.00 0.00 C ATOM 1375 O GLU A 89 1.605 9.419 -2.779 1.00 0.00 O ATOM 1376 CB GLU A 89 2.905 7.721 -5.217 1.00 0.00 C ATOM 1377 CG GLU A 89 4.030 6.947 -5.884 1.00 0.00 C ATOM 1378 CD GLU A 89 3.895 6.905 -7.393 1.00 0.00 C ATOM 1379 OE1 GLU A 89 2.874 6.380 -7.883 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.811 7.396 -8.084 1.00 0.00 O ATOM 0 H GLU A 89 2.847 5.550 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 89 3.766 8.178 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.950 7.352 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.977 8.770 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.985 7.402 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.045 5.929 -5.496 1.00 0.00 H new ATOM 1387 N GLU A 90 0.587 7.428 -3.030 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.694 7.892 -2.509 1.00 0.00 C ATOM 1389 C GLU A 90 -0.654 8.040 -0.989 1.00 0.00 C ATOM 1390 O GLU A 90 -1.359 8.874 -0.420 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.809 6.921 -2.906 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.359 7.166 -4.301 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.527 6.503 -5.380 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.788 5.548 -5.058 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.613 6.938 -6.548 1.00 0.00 O ATOM 0 H GLU A 90 0.597 6.447 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.896 8.872 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.429 5.901 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.622 7.000 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.382 6.793 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.401 8.239 -4.488 1.00 0.00 H new ATOM 1402 N LEU A 91 0.167 7.222 -0.335 1.00 0.00 N ATOM 1403 CA LEU A 91 0.289 7.256 1.120 1.00 0.00 C ATOM 1404 C LEU A 91 0.507 8.682 1.631 1.00 0.00 C ATOM 1405 O LEU A 91 -0.278 9.185 2.435 1.00 0.00 O ATOM 1406 CB LEU A 91 1.435 6.351 1.578 1.00 0.00 C ATOM 1407 CG LEU A 91 1.004 4.984 2.114 1.00 0.00 C ATOM 1408 CD1 LEU A 91 2.209 4.201 2.612 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.024 5.147 3.224 1.00 0.00 C ATOM 0 H LEU A 91 0.758 6.527 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.647 6.888 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.115 6.198 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.998 6.868 2.355 1.00 0.00 H new ATOM 0 HG LEU A 91 0.545 4.424 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.883 3.232 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.911 4.053 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.698 4.756 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.319 4.165 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.410 5.726 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.900 5.667 2.835 1.00 0.00 H new ATOM 1421 N PRO A 92 1.579 9.355 1.174 1.00 0.00 N ATOM 1422 CA PRO A 92 1.888 10.725 1.593 1.00 0.00 C ATOM 1423 C PRO A 92 0.659 11.631 1.591 1.00 0.00 C ATOM 1424 O PRO A 92 0.549 12.545 2.407 1.00 0.00 O ATOM 1425 CB PRO A 92 2.895 11.188 0.542 1.00 0.00 C ATOM 1426 CG PRO A 92 3.588 9.943 0.110 1.00 0.00 C ATOM 1427 CD PRO A 92 2.572 8.834 0.216 1.00 0.00 C ATOM 0 HA PRO A 92 2.262 10.765 2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.397 11.675 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.599 11.909 0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.955 10.037 -0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.452 9.740 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.118 8.614 -0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.025 7.909 0.573 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.261 11.369 0.668 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.482 12.159 0.561 1.00 0.00 C ATOM 1437 C HIS A 93 -2.460 11.808 1.677 1.00 0.00 C ATOM 1438 O HIS A 93 -3.226 12.656 2.135 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.141 11.934 -0.801 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.327 12.439 -1.951 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.722 13.493 -2.748 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.132 12.029 -2.439 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.807 13.708 -3.675 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.168 12.834 -3.509 1.00 0.00 N ATOM 0 H HIS A 93 -0.184 10.616 -0.016 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.213 13.211 0.658 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.323 10.868 -0.936 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.113 12.427 -0.811 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.472 11.219 -2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.849 14.470 -4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.008 12.768 -4.083 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.428 10.552 2.110 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.311 10.087 3.173 1.00 0.00 C ATOM 1455 C ILE A 94 -2.862 10.613 4.531 1.00 0.00 C ATOM 1456 O ILE A 94 -1.791 10.257 5.022 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.365 8.547 3.227 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.611 7.972 1.831 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.446 8.088 4.195 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -4.960 8.343 1.253 1.00 0.00 C ATOM 0 H ILE A 94 -1.800 9.838 1.741 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.305 10.472 2.947 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.404 8.178 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.828 8.323 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.530 6.886 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.472 6.999 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.228 8.471 5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.414 8.466 3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.065 7.901 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.750 7.968 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.037 9.428 1.177 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.688 11.459 5.137 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.375 12.030 6.442 1.00 0.00 C ATOM 1474 C HIS A 95 -3.339 10.943 7.512 1.00 0.00 C ATOM 1475 O HIS A 95 -2.579 11.032 8.476 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.403 13.098 6.816 1.00 0.00 C ATOM 1477 CG HIS A 95 -3.874 14.135 7.756 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -3.008 13.843 8.790 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.089 15.471 7.816 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -2.716 14.953 9.444 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.358 15.955 8.872 1.00 0.00 N ATOM 0 H HIS A 95 -4.579 11.764 4.746 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.390 12.493 6.384 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.753 13.588 5.907 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.268 12.615 7.271 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.649 12.915 9.014 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.719 16.048 7.155 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.063 15.028 10.301 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.167 9.919 7.333 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.232 8.812 8.278 1.00 0.00 C ATOM 1492 C ALA A 96 -4.676 7.529 7.585 1.00 0.00 C ATOM 1493 O ALA A 96 -5.788 7.446 7.064 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.176 9.150 9.422 1.00 0.00 C ATOM 0 H ALA A 96 -4.803 9.834 6.540 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.233 8.650 8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.215 8.314 10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.816 10.039 9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.174 9.339 9.026 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.799 6.531 7.579 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.100 5.252 6.945 1.00 0.00 C ATOM 1502 C PHE A 97 -3.960 4.103 7.938 1.00 0.00 C ATOM 1503 O PHE A 97 -3.019 4.063 8.730 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.175 5.022 5.749 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.712 4.030 4.756 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.790 2.684 5.077 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.137 4.444 3.504 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.282 1.769 4.165 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.631 3.533 2.590 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.703 2.195 2.921 1.00 0.00 C ATOM 0 H PHE A 97 -2.874 6.583 8.006 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.133 5.283 6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.004 5.973 5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.207 4.674 6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.463 2.347 6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.082 5.490 3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.337 0.722 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.960 3.868 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.088 1.482 2.207 1.00 0.00 H new ATOM 1520 N GLU A 98 -4.904 3.168 7.888 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.889 2.015 8.779 1.00 0.00 C ATOM 1522 C GLU A 98 -5.322 0.754 8.039 1.00 0.00 C ATOM 1523 O GLU A 98 -6.436 0.680 7.517 1.00 0.00 O ATOM 1524 CB GLU A 98 -5.806 2.258 9.979 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.356 1.543 11.243 1.00 0.00 C ATOM 1526 CD GLU A 98 -6.511 0.928 12.008 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -7.602 1.535 12.026 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -6.326 -0.162 12.589 1.00 0.00 O ATOM 0 H GLU A 98 -5.690 3.187 7.238 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.869 1.874 9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.857 3.329 10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.815 1.932 9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.643 0.762 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.832 2.249 11.888 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.437 -0.236 7.995 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.728 -1.493 7.314 1.00 0.00 C ATOM 1537 C GLN A 99 -4.618 -2.673 8.274 1.00 0.00 C ATOM 1538 O GLN A 99 -3.871 -2.624 9.251 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.777 -1.690 6.134 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.327 -1.372 6.462 1.00 0.00 C ATOM 1541 CD GLN A 99 -1.911 0.008 5.988 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -1.946 0.219 4.677 1.00 0.00 O flip ATOM 1543 NE2 GLN A 99 -1.565 0.874 6.790 1.00 0.00 N flip ATOM 0 H GLN A 99 -3.512 -0.193 8.423 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.752 -1.446 6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.845 -2.722 5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.101 -1.058 5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.178 -1.442 7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.682 -2.120 6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.553 0.668 7.789 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.290 1.798 6.456 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.365 -3.733 7.986 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.351 -4.930 8.819 1.00 0.00 C ATOM 1554 C LYS A 100 -5.503 -6.185 7.966 1.00 0.00 C ATOM 1555 O LYS A 100 -6.501 -6.354 7.264 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.471 -4.866 9.859 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.383 -5.955 10.915 1.00 0.00 C ATOM 1558 CD LYS A 100 -5.691 -5.455 12.174 1.00 0.00 C ATOM 1559 CE LYS A 100 -6.698 -5.068 13.246 1.00 0.00 C ATOM 1560 NZ LYS A 100 -7.507 -3.884 12.846 1.00 0.00 N ATOM 0 H LYS A 100 -5.989 -3.788 7.181 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.391 -4.975 9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.445 -3.893 10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.432 -4.941 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.385 -6.304 11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.838 -6.809 10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.028 -6.230 12.559 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.068 -4.594 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.361 -5.911 13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.173 -4.851 14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.181 -3.652 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.877 -3.072 12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.028 -4.099 11.972 1.00 0.00 H new ATOM 1574 N THR A 101 -4.508 -7.063 8.030 1.00 0.00 N ATOM 1575 CA THR A 101 -4.531 -8.302 7.260 1.00 0.00 C ATOM 1576 C THR A 101 -4.690 -9.511 8.176 1.00 0.00 C ATOM 1577 O THR A 101 -4.108 -9.563 9.260 1.00 0.00 O ATOM 1578 CB THR A 101 -3.250 -8.438 6.435 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.142 -8.716 7.273 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.921 -7.198 5.633 1.00 0.00 C ATOM 0 H THR A 101 -3.676 -6.940 8.607 1.00 0.00 H new ATOM 0 HA THR A 101 -5.387 -8.265 6.587 1.00 0.00 H new ATOM 0 HB THR A 101 -3.437 -9.259 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.485 -9.251 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.001 -7.361 5.071 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.736 -6.985 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.788 -6.353 6.308 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.482 -10.481 7.732 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.718 -11.693 8.507 1.00 0.00 C ATOM 1590 C LEU A 102 -5.989 -12.880 7.588 1.00 0.00 C ATOM 1591 O LEU A 102 -5.987 -12.743 6.364 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.897 -11.490 9.464 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.510 -11.235 10.924 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.754 -11.145 11.796 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.577 -12.328 11.430 1.00 0.00 C ATOM 0 H LEU A 102 -5.972 -10.451 6.838 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.821 -11.905 9.089 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.492 -10.649 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.536 -12.372 9.422 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.982 -10.283 10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.461 -10.964 12.830 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.384 -10.326 11.448 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.310 -12.081 11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.313 -12.129 12.469 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.077 -13.294 11.361 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.672 -12.344 10.823 1.00 0.00 H new ATOM 1607 N THR A 103 -6.219 -14.044 8.183 1.00 0.00 N ATOM 1608 CA THR A 103 -6.490 -15.254 7.416 1.00 0.00 C ATOM 1609 C THR A 103 -7.986 -15.563 7.396 1.00 0.00 C ATOM 1610 O THR A 103 -8.736 -15.097 8.254 1.00 0.00 O ATOM 1611 CB THR A 103 -5.722 -16.440 8.004 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.571 -16.295 9.405 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.341 -16.611 7.407 1.00 0.00 C ATOM 0 H THR A 103 -6.223 -14.176 9.194 1.00 0.00 H new ATOM 0 HA THR A 103 -6.157 -15.086 6.392 1.00 0.00 H new ATOM 0 HB THR A 103 -6.317 -17.320 7.762 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.079 -17.064 9.762 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.850 -17.469 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.427 -16.775 6.333 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.751 -15.713 7.591 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.439 -16.358 6.411 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.853 -16.728 6.285 1.00 0.00 C ATOM 1623 C PRO A 104 -10.322 -17.615 7.433 1.00 0.00 C ATOM 1624 O PRO A 104 -11.491 -17.584 7.817 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.908 -17.493 4.960 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.521 -17.995 4.750 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.613 -16.958 5.348 1.00 0.00 C ATOM 0 HA PRO A 104 -10.506 -15.855 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.623 -18.315 5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.222 -16.845 4.142 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.379 -18.963 5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.312 -18.132 3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.702 -17.403 5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.307 -16.217 4.610 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.401 -18.404 7.976 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.720 -19.300 9.082 1.00 0.00 C ATOM 1637 C GLU A 105 -9.941 -18.513 10.370 1.00 0.00 C ATOM 1638 O GLU A 105 -10.875 -18.789 11.124 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.596 -20.319 9.280 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.887 -21.342 10.366 1.00 0.00 C ATOM 1641 CD GLU A 105 -7.710 -22.259 10.634 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -6.984 -22.588 9.672 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -7.514 -22.648 11.804 1.00 0.00 O ATOM 0 H GLU A 105 -8.429 -18.441 7.669 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.641 -19.829 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.420 -20.840 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.676 -19.789 9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.155 -20.823 11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.750 -21.941 10.074 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.079 -17.533 10.614 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.180 -16.704 11.809 1.00 0.00 C ATOM 1652 C GLN A 106 -10.448 -15.858 11.777 1.00 0.00 C ATOM 1653 O GLN A 106 -11.187 -15.791 12.759 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.953 -15.801 11.935 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.781 -16.460 12.643 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.857 -16.319 14.151 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -7.796 -15.726 14.684 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -5.869 -16.866 14.848 1.00 0.00 N ATOM 0 H GLN A 106 -8.301 -17.293 9.999 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.226 -17.363 12.676 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.637 -15.491 10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.232 -14.897 12.477 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.752 -17.518 12.382 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.851 -16.018 12.287 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.111 -17.348 14.366 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.868 -16.804 15.866 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.695 -15.214 10.641 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.874 -14.372 10.481 1.00 0.00 C ATOM 1669 C TRP A 107 -13.153 -15.181 10.672 1.00 0.00 C ATOM 1670 O TRP A 107 -13.978 -14.864 11.528 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.876 -13.715 9.101 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.364 -12.301 9.128 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.644 -11.875 8.931 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.581 -11.129 9.371 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.705 -10.506 9.031 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.451 -10.024 9.301 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.229 -10.906 9.639 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -12.010 -8.716 9.491 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.792 -9.608 9.827 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.681 -8.528 9.752 1.00 0.00 C ATOM 0 H TRP A 107 -10.094 -15.259 9.818 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.839 -13.596 11.245 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.866 -13.737 8.693 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.505 -14.298 8.428 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.486 -12.519 8.726 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.547 -9.940 8.922 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.537 -11.733 9.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.693 -7.881 9.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.748 -9.424 10.035 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.309 -7.526 9.904 1.00 0.00 H new ATOM 1691 N THR A 108 -13.309 -16.230 9.871 1.00 0.00 N ATOM 1692 CA THR A 108 -14.487 -17.086 9.953 1.00 0.00 C ATOM 1693 C THR A 108 -14.604 -17.721 11.335 1.00 0.00 C ATOM 1694 O THR A 108 -15.706 -17.982 11.816 1.00 0.00 O ATOM 1695 CB THR A 108 -14.426 -18.176 8.882 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.987 -17.641 7.646 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.757 -18.854 8.642 1.00 0.00 C ATOM 0 H THR A 108 -12.635 -16.508 9.158 1.00 0.00 H new ATOM 0 HA THR A 108 -15.368 -16.467 9.782 1.00 0.00 H new ATOM 0 HB THR A 108 -13.723 -18.916 9.263 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.008 -17.587 7.642 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.643 -19.616 7.871 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.099 -19.320 9.566 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.488 -18.115 8.316 1.00 0.00 H new