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= 0.0321 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -125:sc= -0.0862 (180deg=-0.569) USER MOD Single : A 31 SER OG : rot 33:sc= 0.224 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 61 SER OG : rot 16:sc= 0.582 USER MOD Single : A 68 SER OG : rot -140:sc= -0.515 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= -0.534 K(o=-0.53,f=-2.7) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.672 F(o=-1.5,f=-0.67) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 86 CYS SG : rot 160:sc= -0.318 USER MOD Single : A 93 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0.021) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= 0.0909 K(o=0.091,f=-2.9!) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= -0.126 (180deg=-0.201) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -2.7! C(o=-2.7!,f=-3.2!) USER MOD Single : A 108 THR OG1 : rot 103:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.591 7.704 -3.355 1.00 0.00 N ATOM 428 CA SER A 31 -10.931 7.232 -3.021 1.00 0.00 C ATOM 429 C SER A 31 -10.869 5.887 -2.303 1.00 0.00 C ATOM 430 O SER A 31 -9.926 5.117 -2.486 1.00 0.00 O ATOM 431 CB SER A 31 -11.782 7.110 -4.285 1.00 0.00 C ATOM 432 OG SER A 31 -11.701 8.288 -5.071 1.00 0.00 O ATOM 0 HA SER A 31 -11.390 7.960 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.447 6.254 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.820 6.922 -4.011 1.00 0.00 H new ATOM 0 HG SER A 31 -10.810 8.684 -4.976 1.00 0.00 H new ATOM 438 N ALA A 32 -11.882 5.612 -1.487 1.00 0.00 N ATOM 439 CA ALA A 32 -11.943 4.359 -0.743 1.00 0.00 C ATOM 440 C ALA A 32 -12.042 3.164 -1.685 1.00 0.00 C ATOM 441 O ALA A 32 -11.315 2.183 -1.537 1.00 0.00 O ATOM 442 CB ALA A 32 -13.122 4.375 0.218 1.00 0.00 C ATOM 0 H ALA A 32 -12.670 6.239 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.021 4.260 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.156 3.434 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.008 5.201 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.048 4.501 -0.344 1.00 0.00 H new ATOM 448 N ASP A 33 -12.947 3.256 -2.655 1.00 0.00 N ATOM 449 CA ASP A 33 -13.142 2.182 -3.621 1.00 0.00 C ATOM 450 C ASP A 33 -11.861 1.919 -4.407 1.00 0.00 C ATOM 451 O ASP A 33 -11.563 0.779 -4.763 1.00 0.00 O ATOM 452 CB ASP A 33 -14.279 2.532 -4.582 1.00 0.00 C ATOM 453 CG ASP A 33 -15.058 1.310 -5.026 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.939 0.857 -4.265 1.00 0.00 O ATOM 455 OD2 ASP A 33 -14.787 0.804 -6.135 1.00 0.00 O ATOM 0 H ASP A 33 -13.556 4.063 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.404 1.277 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.957 3.235 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.869 3.036 -5.457 1.00 0.00 H new ATOM 460 N TYR A 34 -11.107 2.981 -4.673 1.00 0.00 N ATOM 461 CA TYR A 34 -9.858 2.864 -5.416 1.00 0.00 C ATOM 462 C TYR A 34 -8.861 1.984 -4.670 1.00 0.00 C ATOM 463 O TYR A 34 -8.396 0.972 -5.194 1.00 0.00 O ATOM 464 CB TYR A 34 -9.254 4.249 -5.657 1.00 0.00 C ATOM 465 CG TYR A 34 -7.974 4.219 -6.463 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.926 3.600 -7.705 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.813 4.813 -5.981 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.759 3.572 -8.444 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.643 4.789 -6.713 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.620 4.167 -7.944 1.00 0.00 C ATOM 471 OH TYR A 34 -4.456 4.141 -8.677 1.00 0.00 O ATOM 0 H TYR A 34 -11.339 3.932 -4.385 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.077 2.398 -6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.985 4.870 -6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.057 4.723 -4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.816 3.133 -8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.827 5.301 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.739 3.086 -9.409 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.750 5.255 -6.324 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.748 4.605 -8.183 1.00 0.00 H new ATOM 481 N LEU A 35 -8.537 2.376 -3.441 1.00 0.00 N ATOM 482 CA LEU A 35 -7.594 1.623 -2.622 1.00 0.00 C ATOM 483 C LEU A 35 -8.106 0.210 -2.364 1.00 0.00 C ATOM 484 O LEU A 35 -7.324 -0.736 -2.267 1.00 0.00 O ATOM 485 CB LEU A 35 -7.356 2.341 -1.292 1.00 0.00 C ATOM 486 CG LEU A 35 -6.947 3.810 -1.413 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.969 4.484 -0.049 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.569 3.929 -2.046 1.00 0.00 C ATOM 0 H LEU A 35 -8.914 3.210 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.652 1.556 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.267 2.281 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.580 1.808 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.666 4.316 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.675 5.528 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.975 4.430 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.272 3.977 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.294 4.981 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.838 3.408 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.586 3.483 -3.041 1.00 0.00 H new ATOM 500 N ARG A 36 -9.423 0.073 -2.255 1.00 0.00 N ATOM 501 CA ARG A 36 -10.039 -1.226 -2.009 1.00 0.00 C ATOM 502 C ARG A 36 -9.793 -2.176 -3.178 1.00 0.00 C ATOM 503 O ARG A 36 -9.192 -3.236 -3.013 1.00 0.00 O ATOM 504 CB ARG A 36 -11.542 -1.065 -1.776 1.00 0.00 C ATOM 505 CG ARG A 36 -12.254 -2.373 -1.470 1.00 0.00 C ATOM 506 CD ARG A 36 -13.765 -2.212 -1.527 1.00 0.00 C ATOM 507 NE ARG A 36 -14.445 -3.492 -1.701 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.519 -4.141 -2.862 1.00 0.00 C ATOM 509 NH1 ARG A 36 -13.956 -3.634 -3.950 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.158 -5.301 -2.932 1.00 0.00 N ATOM 0 H ARG A 36 -10.085 0.845 -2.333 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.583 -1.653 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.701 -0.372 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.992 -0.614 -2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.941 -3.134 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.962 -2.725 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.114 -1.738 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.028 -1.547 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.890 -3.914 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.463 -2.742 -3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.016 -4.136 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.592 -5.695 -2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.215 -5.799 -3.820 1.00 0.00 H new ATOM 524 N GLU A 37 -10.263 -1.787 -4.358 1.00 0.00 N ATOM 525 CA GLU A 37 -10.093 -2.603 -5.556 1.00 0.00 C ATOM 526 C GLU A 37 -8.616 -2.779 -5.891 1.00 0.00 C ATOM 527 O GLU A 37 -8.208 -3.813 -6.417 1.00 0.00 O ATOM 528 CB GLU A 37 -10.825 -1.968 -6.739 1.00 0.00 C ATOM 529 CG GLU A 37 -12.257 -1.563 -6.423 1.00 0.00 C ATOM 530 CD GLU A 37 -13.258 -2.143 -7.403 1.00 0.00 C ATOM 531 OE1 GLU A 37 -13.329 -3.385 -7.515 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.971 -1.355 -8.059 1.00 0.00 O ATOM 0 H GLU A 37 -10.765 -0.912 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.521 -3.586 -5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.272 -1.088 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.831 -2.671 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.509 -1.892 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.333 -0.476 -6.432 1.00 0.00 H new ATOM 539 N LYS A 38 -7.819 -1.761 -5.583 1.00 0.00 N ATOM 540 CA LYS A 38 -6.387 -1.804 -5.852 1.00 0.00 C ATOM 541 C LYS A 38 -5.711 -2.899 -5.034 1.00 0.00 C ATOM 542 O LYS A 38 -5.111 -3.820 -5.588 1.00 0.00 O ATOM 543 CB LYS A 38 -5.747 -0.450 -5.539 1.00 0.00 C ATOM 544 CG LYS A 38 -4.354 -0.285 -6.123 1.00 0.00 C ATOM 545 CD LYS A 38 -3.961 1.180 -6.223 1.00 0.00 C ATOM 546 CE LYS A 38 -3.011 1.425 -7.384 1.00 0.00 C ATOM 547 NZ LYS A 38 -3.656 1.147 -8.697 1.00 0.00 N ATOM 0 H LYS A 38 -8.141 -0.897 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.249 -2.028 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.389 0.343 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.696 -0.323 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.633 -0.815 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.317 -0.741 -7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.856 1.790 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.489 1.495 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.667 2.459 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.130 0.794 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.083 0.459 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.608 0.758 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.728 2.030 -9.242 1.00 0.00 H new ATOM 561 N LEU A 39 -5.812 -2.793 -3.713 1.00 0.00 N ATOM 562 CA LEU A 39 -5.211 -3.775 -2.819 1.00 0.00 C ATOM 563 C LEU A 39 -5.783 -5.166 -3.074 1.00 0.00 C ATOM 564 O LEU A 39 -5.093 -6.171 -2.910 1.00 0.00 O ATOM 565 CB LEU A 39 -5.441 -3.375 -1.360 1.00 0.00 C ATOM 566 CG LEU A 39 -4.894 -2.000 -0.972 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.436 -1.575 0.385 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.373 -2.016 -0.960 1.00 0.00 C ATOM 0 H LEU A 39 -6.305 -2.037 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.139 -3.802 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.512 -3.393 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.983 -4.126 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.224 -1.275 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.037 -0.595 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.524 -1.524 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.136 -2.301 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.001 -1.030 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.023 -2.753 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.004 -2.277 -1.952 1.00 0.00 H new ATOM 580 N ARG A 40 -7.049 -5.215 -3.473 1.00 0.00 N ATOM 581 CA ARG A 40 -7.716 -6.482 -3.750 1.00 0.00 C ATOM 582 C ARG A 40 -6.996 -7.249 -4.845 1.00 0.00 C ATOM 583 O ARG A 40 -6.533 -8.370 -4.632 1.00 0.00 O ATOM 584 CB ARG A 40 -9.172 -6.242 -4.149 1.00 0.00 C ATOM 585 CG ARG A 40 -10.074 -7.444 -3.914 1.00 0.00 C ATOM 586 CD ARG A 40 -10.347 -8.199 -5.205 1.00 0.00 C ATOM 587 NE ARG A 40 -11.268 -7.476 -6.078 1.00 0.00 N ATOM 588 CZ ARG A 40 -11.940 -8.041 -7.078 1.00 0.00 C ATOM 589 NH1 ARG A 40 -11.797 -9.335 -7.335 1.00 0.00 N ATOM 590 NH2 ARG A 40 -12.758 -7.311 -7.824 1.00 0.00 N ATOM 0 H ARG A 40 -7.634 -4.391 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.692 -7.081 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.559 -5.392 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.211 -5.970 -5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.608 -8.114 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.017 -7.113 -3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.408 -8.369 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.763 -9.179 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.404 -6.479 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.169 -9.902 -6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.315 -9.763 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.872 -6.316 -7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.273 -7.745 -8.590 1.00 0.00 H new ATOM 604 N GLN A 41 -6.909 -6.644 -6.017 1.00 0.00 N ATOM 605 CA GLN A 41 -6.247 -7.278 -7.144 1.00 0.00 C ATOM 606 C GLN A 41 -4.731 -7.242 -6.979 1.00 0.00 C ATOM 607 O GLN A 41 -4.025 -8.140 -7.435 1.00 0.00 O ATOM 608 CB GLN A 41 -6.652 -6.601 -8.453 1.00 0.00 C ATOM 609 CG GLN A 41 -6.387 -5.104 -8.472 1.00 0.00 C ATOM 610 CD GLN A 41 -5.766 -4.638 -9.774 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.461 -4.160 -10.671 1.00 0.00 O ATOM 612 NE2 GLN A 41 -4.450 -4.773 -9.885 1.00 0.00 N ATOM 0 H GLN A 41 -7.287 -5.717 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.562 -8.321 -7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.111 -7.068 -9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.713 -6.776 -8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.324 -4.571 -8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.725 -4.845 -7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.912 -5.174 -9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.977 -4.475 -10.738 1.00 0.00 H new ATOM 621 N ASP A 42 -4.237 -6.195 -6.323 1.00 0.00 N ATOM 622 CA ASP A 42 -2.804 -6.043 -6.098 1.00 0.00 C ATOM 623 C ASP A 42 -2.275 -7.152 -5.195 1.00 0.00 C ATOM 624 O ASP A 42 -1.341 -7.868 -5.555 1.00 0.00 O ATOM 625 CB ASP A 42 -2.506 -4.678 -5.477 1.00 0.00 C ATOM 626 CG ASP A 42 -1.020 -4.424 -5.321 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.384 -3.995 -6.307 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.491 -4.656 -4.213 1.00 0.00 O ATOM 0 H ASP A 42 -4.807 -5.441 -5.939 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.301 -6.113 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.942 -3.896 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.987 -4.614 -4.501 1.00 0.00 H new ATOM 633 N LEU A 43 -2.880 -7.288 -4.019 1.00 0.00 N ATOM 634 CA LEU A 43 -2.471 -8.311 -3.063 1.00 0.00 C ATOM 635 C LEU A 43 -3.197 -9.629 -3.321 1.00 0.00 C ATOM 636 O LEU A 43 -2.766 -10.685 -2.857 1.00 0.00 O ATOM 637 CB LEU A 43 -2.744 -7.839 -1.633 1.00 0.00 C ATOM 638 CG LEU A 43 -1.720 -6.852 -1.071 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.340 -6.011 0.035 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.495 -7.592 -0.556 1.00 0.00 C ATOM 0 H LEU A 43 -3.655 -6.703 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.401 -8.479 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.729 -7.374 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.782 -8.711 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.407 -6.185 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.597 -5.315 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.187 -5.453 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.681 -6.662 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.224 -6.875 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.792 -8.282 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.037 -8.150 -1.373 1.00 0.00 H new ATOM 652 N GLU A 44 -4.302 -9.564 -4.062 1.00 0.00 N ATOM 653 CA GLU A 44 -5.084 -10.756 -4.377 1.00 0.00 C ATOM 654 C GLU A 44 -5.731 -11.328 -3.120 1.00 0.00 C ATOM 655 O GLU A 44 -5.169 -12.206 -2.465 1.00 0.00 O ATOM 656 CB GLU A 44 -4.201 -11.816 -5.040 1.00 0.00 C ATOM 657 CG GLU A 44 -3.365 -11.279 -6.191 1.00 0.00 C ATOM 658 CD GLU A 44 -3.197 -12.289 -7.309 1.00 0.00 C ATOM 659 OE1 GLU A 44 -4.220 -12.822 -7.788 1.00 0.00 O ATOM 660 OE2 GLU A 44 -2.041 -12.550 -7.705 1.00 0.00 O ATOM 0 H GLU A 44 -4.675 -8.699 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.873 -10.468 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.537 -12.245 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.833 -12.625 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.834 -10.378 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.383 -10.989 -5.818 1.00 0.00 H new ATOM 667 N ALA A 45 -6.915 -10.823 -2.789 1.00 0.00 N ATOM 668 CA ALA A 45 -7.639 -11.284 -1.610 1.00 0.00 C ATOM 669 C ALA A 45 -9.033 -11.780 -1.980 1.00 0.00 C ATOM 670 O ALA A 45 -9.438 -11.718 -3.141 1.00 0.00 O ATOM 671 CB ALA A 45 -7.731 -10.168 -0.581 1.00 0.00 C ATOM 0 H ALA A 45 -7.393 -10.095 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.088 -12.120 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.274 -10.524 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.727 -9.861 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.258 -9.317 -1.013 1.00 0.00 H new ATOM 677 N GLU A 46 -9.763 -12.271 -0.984 1.00 0.00 N ATOM 678 CA GLU A 46 -11.113 -12.778 -1.204 1.00 0.00 C ATOM 679 C GLU A 46 -12.151 -11.693 -0.936 1.00 0.00 C ATOM 680 O GLU A 46 -12.956 -11.362 -1.808 1.00 0.00 O ATOM 681 CB GLU A 46 -11.379 -13.988 -0.305 1.00 0.00 C ATOM 682 CG GLU A 46 -12.289 -15.027 -0.938 1.00 0.00 C ATOM 683 CD GLU A 46 -13.292 -15.600 0.045 1.00 0.00 C ATOM 684 OE1 GLU A 46 -13.038 -15.521 1.265 1.00 0.00 O ATOM 685 OE2 GLU A 46 -14.331 -16.127 -0.406 1.00 0.00 O ATOM 0 H GLU A 46 -9.443 -12.329 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.194 -13.084 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.429 -14.457 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.826 -13.646 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.823 -14.576 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.683 -15.836 -1.346 1.00 0.00 H new ATOM 692 N HIS A 47 -12.128 -11.144 0.273 1.00 0.00 N ATOM 693 CA HIS A 47 -13.066 -10.096 0.656 1.00 0.00 C ATOM 694 C HIS A 47 -12.329 -8.889 1.226 1.00 0.00 C ATOM 695 O HIS A 47 -11.471 -9.027 2.098 1.00 0.00 O ATOM 696 CB HIS A 47 -14.066 -10.629 1.683 1.00 0.00 C ATOM 697 CG HIS A 47 -15.039 -11.617 1.116 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.626 -12.613 1.867 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.528 -11.757 -0.139 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.432 -13.323 1.099 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.391 -12.825 -0.122 1.00 0.00 N ATOM 0 H HIS A 47 -11.469 -11.408 1.006 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.606 -9.781 -0.237 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.519 -11.099 2.501 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.618 -9.791 2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.285 -11.143 -0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.024 -14.168 1.417 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -16.915 -13.176 -0.923 1.00 0.00 H new ATOM 710 N VAL A 48 -12.670 -7.705 0.727 1.00 0.00 N ATOM 711 CA VAL A 48 -12.040 -6.472 1.186 1.00 0.00 C ATOM 712 C VAL A 48 -13.086 -5.442 1.600 1.00 0.00 C ATOM 713 O VAL A 48 -14.150 -5.342 0.990 1.00 0.00 O ATOM 714 CB VAL A 48 -11.139 -5.862 0.098 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.935 -6.754 -0.162 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.929 -5.633 -1.183 1.00 0.00 C ATOM 0 H VAL A 48 -13.379 -7.573 0.005 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.428 -6.733 2.049 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.776 -4.897 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.310 -6.306 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.357 -6.861 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.274 -7.735 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.276 -5.201 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.323 -6.584 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.755 -4.950 -0.984 1.00 0.00 H new ATOM 726 N GLU A 49 -12.775 -4.678 2.642 1.00 0.00 N ATOM 727 CA GLU A 49 -13.688 -3.655 3.139 1.00 0.00 C ATOM 728 C GLU A 49 -12.958 -2.332 3.349 1.00 0.00 C ATOM 729 O GLU A 49 -11.927 -2.280 4.021 1.00 0.00 O ATOM 730 CB GLU A 49 -14.334 -4.109 4.448 1.00 0.00 C ATOM 731 CG GLU A 49 -15.630 -4.877 4.252 1.00 0.00 C ATOM 732 CD GLU A 49 -16.857 -4.033 4.536 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.996 -2.960 3.911 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.679 -4.445 5.381 1.00 0.00 O ATOM 0 H GLU A 49 -11.898 -4.748 3.158 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.468 -3.505 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.629 -4.736 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.530 -3.235 5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.677 -5.247 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.634 -5.749 4.906 1.00 0.00 H new ATOM 741 N VAL A 50 -13.499 -1.264 2.772 1.00 0.00 N ATOM 742 CA VAL A 50 -12.900 0.059 2.896 1.00 0.00 C ATOM 743 C VAL A 50 -13.883 1.052 3.509 1.00 0.00 C ATOM 744 O VAL A 50 -15.078 1.016 3.218 1.00 0.00 O ATOM 745 CB VAL A 50 -12.426 0.591 1.530 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.599 0.731 0.571 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.699 1.918 1.694 1.00 0.00 C ATOM 0 H VAL A 50 -14.352 -1.289 2.213 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.037 -0.043 3.554 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.726 -0.129 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.242 1.108 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.069 -0.242 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.327 1.427 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.372 2.277 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.372 2.649 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.831 1.780 2.339 1.00 0.00 H new ATOM 757 N GLU A 51 -13.371 1.937 4.358 1.00 0.00 N ATOM 758 CA GLU A 51 -14.203 2.941 5.012 1.00 0.00 C ATOM 759 C GLU A 51 -13.607 4.333 4.846 1.00 0.00 C ATOM 760 O GLU A 51 -12.422 4.482 4.546 1.00 0.00 O ATOM 761 CB GLU A 51 -14.363 2.614 6.497 1.00 0.00 C ATOM 762 CG GLU A 51 -15.329 3.536 7.222 1.00 0.00 C ATOM 763 CD GLU A 51 -16.713 3.531 6.606 1.00 0.00 C ATOM 764 OE1 GLU A 51 -17.508 2.627 6.938 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.003 4.433 5.791 1.00 0.00 O ATOM 0 H GLU A 51 -12.383 1.979 4.609 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.184 2.928 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.710 1.586 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.388 2.671 6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.399 3.233 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.934 4.552 7.210 1.00 0.00 H new ATOM 772 N ASP A 52 -14.438 5.351 5.041 1.00 0.00 N ATOM 773 CA ASP A 52 -13.997 6.733 4.910 1.00 0.00 C ATOM 774 C ASP A 52 -14.798 7.647 5.833 1.00 0.00 C ATOM 775 O ASP A 52 -16.018 7.524 5.939 1.00 0.00 O ATOM 776 CB ASP A 52 -14.138 7.193 3.457 1.00 0.00 C ATOM 777 CG ASP A 52 -13.773 8.653 3.267 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.864 9.135 3.976 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.397 9.315 2.410 1.00 0.00 O ATOM 0 H ASP A 52 -15.421 5.244 5.290 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.948 6.789 5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.501 6.578 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.165 7.034 3.128 1.00 0.00 H new ATOM 904 N SER A 61 -9.075 10.387 7.200 1.00 0.00 N ATOM 905 CA SER A 61 -8.653 9.035 7.550 1.00 0.00 C ATOM 906 C SER A 61 -9.320 8.006 6.642 1.00 0.00 C ATOM 907 O SER A 61 -10.442 8.206 6.178 1.00 0.00 O ATOM 908 CB SER A 61 -8.988 8.736 9.012 1.00 0.00 C ATOM 909 OG SER A 61 -8.992 9.922 9.787 1.00 0.00 O ATOM 0 HA SER A 61 -7.574 8.970 7.412 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.964 8.254 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.260 8.034 9.419 1.00 0.00 H new ATOM 0 HG SER A 61 -9.024 10.701 9.193 1.00 0.00 H new ATOM 915 N PHE A 62 -8.621 6.904 6.393 1.00 0.00 N ATOM 916 CA PHE A 62 -9.144 5.842 5.541 1.00 0.00 C ATOM 917 C PHE A 62 -8.820 4.469 6.120 1.00 0.00 C ATOM 918 O PHE A 62 -7.766 4.272 6.725 1.00 0.00 O ATOM 919 CB PHE A 62 -8.568 5.961 4.130 1.00 0.00 C ATOM 920 CG PHE A 62 -9.247 7.006 3.289 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.534 6.804 2.816 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.598 8.189 2.974 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.160 7.762 2.043 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.220 9.151 2.201 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.502 8.938 1.735 1.00 0.00 C ATOM 0 H PHE A 62 -7.690 6.723 6.769 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.228 5.950 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.506 6.196 4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.649 4.996 3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.053 5.887 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.595 8.361 3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.163 7.593 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.704 10.069 1.962 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.990 9.689 1.131 1.00 0.00 H new ATOM 935 N ARG A 63 -9.733 3.521 5.931 1.00 0.00 N ATOM 936 CA ARG A 63 -9.544 2.165 6.433 1.00 0.00 C ATOM 937 C ARG A 63 -9.655 1.147 5.303 1.00 0.00 C ATOM 938 O ARG A 63 -10.441 1.322 4.372 1.00 0.00 O ATOM 939 CB ARG A 63 -10.573 1.854 7.522 1.00 0.00 C ATOM 940 CG ARG A 63 -10.066 2.115 8.930 1.00 0.00 C ATOM 941 CD ARG A 63 -11.210 2.399 9.891 1.00 0.00 C ATOM 942 NE ARG A 63 -10.970 1.825 11.213 1.00 0.00 N ATOM 943 CZ ARG A 63 -11.156 0.540 11.509 1.00 0.00 C ATOM 944 NH1 ARG A 63 -11.584 -0.307 10.580 1.00 0.00 N ATOM 945 NH2 ARG A 63 -10.915 0.101 12.736 1.00 0.00 N ATOM 0 H ARG A 63 -10.611 3.667 5.434 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.543 2.097 6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.466 2.455 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.872 0.809 7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.501 1.251 9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.380 2.962 8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.347 3.476 9.983 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.136 1.994 9.482 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.641 2.445 11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.772 0.026 9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.725 -1.290 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.587 0.747 13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.057 -0.883 12.963 1.00 0.00 H new ATOM 959 N VAL A 64 -8.865 0.082 5.392 1.00 0.00 N ATOM 960 CA VAL A 64 -8.876 -0.963 4.375 1.00 0.00 C ATOM 961 C VAL A 64 -8.623 -2.334 4.994 1.00 0.00 C ATOM 962 O VAL A 64 -7.621 -2.542 5.678 1.00 0.00 O ATOM 963 CB VAL A 64 -7.818 -0.701 3.288 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.267 0.421 2.364 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.473 -0.375 3.918 1.00 0.00 C ATOM 0 H VAL A 64 -8.210 -0.080 6.157 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.866 -0.949 3.918 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.704 -1.607 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.506 0.592 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.205 0.143 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.412 1.333 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.738 -0.193 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.569 0.515 4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.147 -1.213 4.533 1.00 0.00 H new ATOM 975 N LEU A 65 -9.536 -3.267 4.746 1.00 0.00 N ATOM 976 CA LEU A 65 -9.413 -4.620 5.277 1.00 0.00 C ATOM 977 C LEU A 65 -9.173 -5.624 4.154 1.00 0.00 C ATOM 978 O LEU A 65 -9.776 -5.530 3.086 1.00 0.00 O ATOM 979 CB LEU A 65 -10.672 -5.001 6.058 1.00 0.00 C ATOM 980 CG LEU A 65 -10.513 -6.194 7.002 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.315 -7.479 6.212 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.347 -5.967 7.953 1.00 0.00 C ATOM 0 H LEU A 65 -10.370 -3.111 4.180 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.556 -4.643 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.995 -4.138 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.468 -5.223 5.348 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.425 -6.291 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.204 -8.316 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.180 -7.649 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.419 -7.394 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.247 -6.825 8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.428 -5.844 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.529 -5.069 8.544 1.00 0.00 H new ATOM 994 N VAL A 66 -8.288 -6.584 4.404 1.00 0.00 N ATOM 995 CA VAL A 66 -7.968 -7.604 3.413 1.00 0.00 C ATOM 996 C VAL A 66 -7.866 -8.982 4.058 1.00 0.00 C ATOM 997 O VAL A 66 -7.122 -9.175 5.020 1.00 0.00 O ATOM 998 CB VAL A 66 -6.647 -7.288 2.687 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.436 -8.242 1.522 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.630 -5.844 2.213 1.00 0.00 C ATOM 0 H VAL A 66 -7.780 -6.676 5.284 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.780 -7.605 2.686 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.826 -7.424 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.498 -8.003 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.399 -9.266 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.260 -8.141 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.689 -5.640 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.459 -5.677 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.730 -5.178 3.070 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.617 -9.938 3.520 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.611 -11.300 4.041 1.00 0.00 C ATOM 1012 C VAL A 67 -8.250 -12.303 2.951 1.00 0.00 C ATOM 1013 O VAL A 67 -8.941 -12.408 1.937 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.980 -11.679 4.639 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.905 -13.028 5.335 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.459 -10.601 5.598 1.00 0.00 C ATOM 0 H VAL A 67 -9.237 -9.794 2.723 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.857 -11.335 4.828 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.702 -11.757 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.881 -13.278 5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.610 -13.792 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.170 -12.983 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.427 -10.885 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.738 -10.488 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.556 -9.656 5.064 1.00 0.00 H new ATOM 1026 N SER A 68 -7.164 -13.040 3.165 1.00 0.00 N ATOM 1027 CA SER A 68 -6.713 -14.035 2.199 1.00 0.00 C ATOM 1028 C SER A 68 -5.491 -14.785 2.717 1.00 0.00 C ATOM 1029 O SER A 68 -4.818 -14.332 3.644 1.00 0.00 O ATOM 1030 CB SER A 68 -6.385 -13.366 0.862 1.00 0.00 C ATOM 1031 OG SER A 68 -6.769 -14.188 -0.227 1.00 0.00 O ATOM 0 H SER A 68 -6.581 -12.967 3.998 1.00 0.00 H new ATOM 0 HA SER A 68 -7.521 -14.752 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.898 -12.407 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.316 -13.160 0.807 1.00 0.00 H new ATOM 0 HG SER A 68 -6.086 -14.142 -0.928 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.210 -15.935 2.113 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.068 -16.750 2.511 1.00 0.00 C ATOM 1039 C ALA A 69 -2.767 -16.220 1.911 1.00 0.00 C ATOM 1040 O ALA A 69 -1.678 -16.586 2.351 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.288 -18.198 2.100 1.00 0.00 C ATOM 0 H ALA A 69 -5.758 -16.324 1.346 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.980 -16.697 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.429 -18.797 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.186 -18.581 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.407 -18.255 1.018 1.00 0.00 H new ATOM 1047 N LYS A 70 -2.885 -15.357 0.905 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.715 -14.780 0.250 1.00 0.00 C ATOM 1049 C LYS A 70 -0.779 -14.133 1.268 1.00 0.00 C ATOM 1050 O LYS A 70 0.434 -14.087 1.069 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.146 -13.746 -0.791 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.187 -13.627 -1.965 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.406 -12.324 -1.921 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.259 -11.715 -3.307 1.00 0.00 C ATOM 1055 NZ LYS A 70 0.986 -12.170 -3.985 1.00 0.00 N ATOM 0 H LYS A 70 -3.778 -15.042 0.526 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.177 -15.587 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.135 -14.011 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.238 -12.773 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.493 -14.468 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.746 -13.685 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.912 -11.617 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.581 -12.504 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.123 -11.984 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.252 -10.628 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.048 -11.732 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.812 -11.891 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.968 -13.205 -4.085 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.353 -13.636 2.359 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.570 -12.992 3.408 1.00 0.00 C ATOM 1071 C PHE A 71 0.180 -14.027 4.241 1.00 0.00 C ATOM 1072 O PHE A 71 1.268 -13.757 4.750 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.479 -12.156 4.312 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.990 -10.906 3.656 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.132 -10.074 2.954 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.330 -10.561 3.744 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.601 -8.922 2.351 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.803 -9.410 3.142 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.938 -8.590 2.445 1.00 0.00 C ATOM 0 H PHE A 71 -2.356 -13.667 2.540 1.00 0.00 H new ATOM 0 HA PHE A 71 0.159 -12.337 2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.327 -12.765 4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.931 -11.885 5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.085 -10.329 2.877 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.011 -11.198 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.922 -8.282 1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.849 -9.152 3.217 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.306 -7.691 1.974 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.409 -15.211 4.376 1.00 0.00 N ATOM 1090 CA GLU A 72 0.203 -16.285 5.147 1.00 0.00 C ATOM 1091 C GLU A 72 1.545 -16.691 4.548 1.00 0.00 C ATOM 1092 O GLU A 72 2.481 -17.035 5.269 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.736 -17.492 5.203 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.475 -17.628 6.523 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.611 -18.228 7.615 1.00 0.00 C ATOM 1096 OE1 GLU A 72 0.591 -17.895 7.671 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.136 -19.031 8.414 1.00 0.00 O ATOM 0 H GLU A 72 -1.310 -15.450 3.961 1.00 0.00 H new ATOM 0 HA GLU A 72 0.379 -15.922 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.464 -17.413 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.159 -18.399 5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.827 -16.647 6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.357 -18.252 6.379 1.00 0.00 H new ATOM 1104 N GLY A 73 1.632 -16.648 3.222 1.00 0.00 N ATOM 1105 CA GLY A 73 2.864 -17.014 2.547 1.00 0.00 C ATOM 1106 C GLY A 73 4.024 -16.115 2.931 1.00 0.00 C ATOM 1107 O GLY A 73 5.177 -16.544 2.931 1.00 0.00 O ATOM 0 H GLY A 73 0.872 -16.366 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.114 -18.047 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.712 -16.966 1.469 1.00 0.00 H new ATOM 1111 N LYS A 74 3.717 -14.864 3.257 1.00 0.00 N ATOM 1112 CA LYS A 74 4.742 -13.900 3.644 1.00 0.00 C ATOM 1113 C LYS A 74 4.633 -13.555 5.127 1.00 0.00 C ATOM 1114 O LYS A 74 3.558 -13.659 5.719 1.00 0.00 O ATOM 1115 CB LYS A 74 4.621 -12.630 2.801 1.00 0.00 C ATOM 1116 CG LYS A 74 4.786 -12.871 1.309 1.00 0.00 C ATOM 1117 CD LYS A 74 6.124 -12.355 0.804 1.00 0.00 C ATOM 1118 CE LYS A 74 5.995 -11.727 -0.575 1.00 0.00 C ATOM 1119 NZ LYS A 74 6.841 -10.509 -0.713 1.00 0.00 N ATOM 0 H LYS A 74 2.767 -14.493 3.261 1.00 0.00 H new ATOM 0 HA LYS A 74 5.717 -14.353 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.647 -12.176 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.373 -11.913 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.705 -13.938 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.978 -12.378 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.519 -11.619 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.841 -13.176 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.281 -12.455 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.953 -11.468 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.724 -10.112 -1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.551 -9.803 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.839 -10.761 -0.562 1.00 0.00 H new ATOM 1133 N PRO A 75 5.747 -13.133 5.749 1.00 0.00 N ATOM 1134 CA PRO A 75 5.770 -12.770 7.170 1.00 0.00 C ATOM 1135 C PRO A 75 4.910 -11.546 7.466 1.00 0.00 C ATOM 1136 O PRO A 75 4.211 -11.038 6.589 1.00 0.00 O ATOM 1137 CB PRO A 75 7.246 -12.464 7.442 1.00 0.00 C ATOM 1138 CG PRO A 75 7.825 -12.139 6.109 1.00 0.00 C ATOM 1139 CD PRO A 75 7.070 -12.978 5.117 1.00 0.00 C ATOM 0 HA PRO A 75 5.366 -13.564 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.355 -11.629 8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.750 -13.319 7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.718 -11.078 5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.891 -12.365 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.998 -12.488 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.554 -13.941 4.953 1.00 0.00 H new ATOM 1147 N LEU A 76 4.964 -11.078 8.709 1.00 0.00 N ATOM 1148 CA LEU A 76 4.189 -9.914 9.123 1.00 0.00 C ATOM 1149 C LEU A 76 4.795 -8.629 8.568 1.00 0.00 C ATOM 1150 O LEU A 76 4.076 -7.692 8.219 1.00 0.00 O ATOM 1151 CB LEU A 76 4.117 -9.839 10.649 1.00 0.00 C ATOM 1152 CG LEU A 76 3.062 -8.880 11.201 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.508 -9.398 12.521 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.649 -7.488 11.379 1.00 0.00 C ATOM 0 H LEU A 76 5.537 -11.487 9.447 1.00 0.00 H new ATOM 0 HA LEU A 76 3.181 -10.021 8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.917 -10.838 11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.093 -9.539 11.029 1.00 0.00 H new ATOM 0 HG LEU A 76 2.243 -8.820 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.759 -8.703 12.899 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.051 -10.375 12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.318 -9.488 13.245 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.884 -6.818 11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.486 -7.532 12.076 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.998 -7.114 10.416 1.00 0.00 H new ATOM 1166 N LEU A 77 6.121 -8.592 8.488 1.00 0.00 N ATOM 1167 CA LEU A 77 6.823 -7.421 7.976 1.00 0.00 C ATOM 1168 C LEU A 77 6.672 -7.314 6.461 1.00 0.00 C ATOM 1169 O LEU A 77 6.664 -6.216 5.905 1.00 0.00 O ATOM 1170 CB LEU A 77 8.306 -7.485 8.348 1.00 0.00 C ATOM 1171 CG LEU A 77 8.984 -8.832 8.082 1.00 0.00 C ATOM 1172 CD1 LEU A 77 10.373 -8.626 7.500 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.056 -9.655 9.362 1.00 0.00 C ATOM 0 H LEU A 77 6.731 -9.359 8.771 1.00 0.00 H new ATOM 0 HA LEU A 77 6.379 -6.536 8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.838 -6.712 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.410 -7.246 9.406 1.00 0.00 H new ATOM 0 HG LEU A 77 8.386 -9.380 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.839 -9.595 7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.296 -8.078 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.982 -8.057 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.541 -10.609 9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.631 -9.112 10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.048 -9.834 9.737 1.00 0.00 H new ATOM 1185 N GLN A 78 6.553 -8.461 5.801 1.00 0.00 N ATOM 1186 CA GLN A 78 6.402 -8.495 4.351 1.00 0.00 C ATOM 1187 C GLN A 78 4.995 -8.076 3.938 1.00 0.00 C ATOM 1188 O GLN A 78 4.820 -7.175 3.119 1.00 0.00 O ATOM 1189 CB GLN A 78 6.705 -9.898 3.819 1.00 0.00 C ATOM 1190 CG GLN A 78 8.188 -10.168 3.627 1.00 0.00 C ATOM 1191 CD GLN A 78 8.810 -9.281 2.565 1.00 0.00 C ATOM 1192 OE1 GLN A 78 8.122 -8.488 1.921 1.00 0.00 O ATOM 1193 NE2 GLN A 78 10.118 -9.411 2.376 1.00 0.00 N ATOM 0 H GLN A 78 6.558 -9.379 6.247 1.00 0.00 H new ATOM 0 HA GLN A 78 7.112 -7.788 3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.296 -10.636 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.193 -10.035 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.707 -10.014 4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.331 -11.213 3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.650 -10.081 2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.591 -8.841 1.675 1.00 0.00 H new ATOM 1202 N ARG A 79 3.994 -8.738 4.511 1.00 0.00 N ATOM 1203 CA ARG A 79 2.601 -8.434 4.202 1.00 0.00 C ATOM 1204 C ARG A 79 2.276 -6.980 4.527 1.00 0.00 C ATOM 1205 O ARG A 79 1.507 -6.331 3.816 1.00 0.00 O ATOM 1206 CB ARG A 79 1.670 -9.364 4.980 1.00 0.00 C ATOM 1207 CG ARG A 79 1.848 -9.282 6.488 1.00 0.00 C ATOM 1208 CD ARG A 79 1.289 -10.513 7.183 1.00 0.00 C ATOM 1209 NE ARG A 79 0.637 -10.179 8.448 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.254 -11.084 9.346 1.00 0.00 C ATOM 1211 NH1 ARG A 79 0.455 -12.377 9.123 1.00 0.00 N ATOM 1212 NH2 ARG A 79 -0.329 -10.694 10.471 1.00 0.00 N ATOM 0 H ARG A 79 4.122 -9.488 5.191 1.00 0.00 H new ATOM 0 HA ARG A 79 2.449 -8.590 3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.637 -9.122 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.843 -10.391 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.907 -9.178 6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.348 -8.391 6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.573 -11.007 6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.095 -11.223 7.367 1.00 0.00 H new ATOM 0 HE ARG A 79 0.465 -9.195 8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.905 -12.682 8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.159 -13.066 9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.484 -9.701 10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.623 -11.387 11.160 1.00 0.00 H new ATOM 1226 N HIS A 80 2.865 -6.473 5.605 1.00 0.00 N ATOM 1227 CA HIS A 80 2.636 -5.095 6.023 1.00 0.00 C ATOM 1228 C HIS A 80 3.266 -4.117 5.037 1.00 0.00 C ATOM 1229 O HIS A 80 2.715 -3.049 4.769 1.00 0.00 O ATOM 1230 CB HIS A 80 3.207 -4.865 7.424 1.00 0.00 C ATOM 1231 CG HIS A 80 2.229 -5.145 8.522 1.00 0.00 C ATOM 1232 ND1 HIS A 80 1.005 -5.725 8.492 1.00 0.00 N flip ATOM 1233 CD2 HIS A 80 2.463 -4.819 9.841 1.00 0.00 C flip ATOM 1234 CE1 HIS A 80 0.529 -5.739 9.780 1.00 0.00 C flip ATOM 1235 NE2 HIS A 80 1.427 -5.188 10.575 1.00 0.00 N flip ATOM 0 H HIS A 80 3.504 -6.995 6.204 1.00 0.00 H new ATOM 0 HA HIS A 80 1.560 -4.920 6.043 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.083 -5.499 7.559 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.545 -3.832 7.505 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.354 -4.337 10.216 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.426 -6.136 10.092 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.337 -5.067 11.584 1.00 0.00 H new ATOM 1244 N ARG A 81 4.424 -4.489 4.501 1.00 0.00 N ATOM 1245 CA ARG A 81 5.129 -3.644 3.543 1.00 0.00 C ATOM 1246 C ARG A 81 4.449 -3.684 2.178 1.00 0.00 C ATOM 1247 O ARG A 81 4.460 -2.701 1.438 1.00 0.00 O ATOM 1248 CB ARG A 81 6.587 -4.090 3.416 1.00 0.00 C ATOM 1249 CG ARG A 81 7.550 -3.268 4.257 1.00 0.00 C ATOM 1250 CD ARG A 81 8.972 -3.360 3.727 1.00 0.00 C ATOM 1251 NE ARG A 81 9.953 -3.445 4.805 1.00 0.00 N ATOM 1252 CZ ARG A 81 11.206 -3.863 4.637 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.633 -4.236 3.436 1.00 0.00 N ATOM 1254 NH2 ARG A 81 12.034 -3.909 5.671 1.00 0.00 N ATOM 0 H ARG A 81 4.894 -5.369 4.713 1.00 0.00 H new ATOM 0 HA ARG A 81 5.102 -2.618 3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.665 -5.137 3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.887 -4.028 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.230 -2.226 4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.522 -3.617 5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.063 -4.235 3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.186 -2.487 3.110 1.00 0.00 H new ATOM 0 HE ARG A 81 9.661 -3.168 5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.000 -4.203 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.594 -4.555 3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.711 -3.624 6.596 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.994 -4.229 5.542 1.00 0.00 H new ATOM 1268 N LEU A 82 3.859 -4.830 1.850 1.00 0.00 N ATOM 1269 CA LEU A 82 3.175 -5.000 0.573 1.00 0.00 C ATOM 1270 C LEU A 82 2.049 -3.982 0.419 1.00 0.00 C ATOM 1271 O LEU A 82 1.912 -3.347 -0.626 1.00 0.00 O ATOM 1272 CB LEU A 82 2.617 -6.419 0.457 1.00 0.00 C ATOM 1273 CG LEU A 82 3.554 -7.430 -0.206 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.043 -8.848 0.002 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.699 -7.127 -1.690 1.00 0.00 C ATOM 0 H LEU A 82 3.841 -5.654 2.451 1.00 0.00 H new ATOM 0 HA LEU A 82 3.899 -4.835 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.368 -6.778 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.687 -6.382 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 82 4.536 -7.347 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.722 -9.553 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.990 -9.063 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.050 -8.945 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.369 -7.856 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.722 -7.182 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.110 -6.126 -1.818 1.00 0.00 H new ATOM 1287 N VAL A 83 1.245 -3.833 1.468 1.00 0.00 N ATOM 1288 CA VAL A 83 0.132 -2.892 1.449 1.00 0.00 C ATOM 1289 C VAL A 83 0.631 -1.454 1.344 1.00 0.00 C ATOM 1290 O VAL A 83 0.127 -0.668 0.542 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.743 -3.030 2.710 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -1.983 -2.155 2.600 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.128 -4.484 2.938 1.00 0.00 C ATOM 0 H VAL A 83 1.344 -4.352 2.341 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.469 -3.131 0.572 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.163 -2.692 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.588 -2.266 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.684 -1.113 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.567 -2.458 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.746 -4.561 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.688 -4.851 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.227 -5.083 3.067 1.00 0.00 H new ATOM 1303 N ASN A 84 1.625 -1.117 2.160 1.00 0.00 N ATOM 1304 CA ASN A 84 2.193 0.225 2.159 1.00 0.00 C ATOM 1305 C ASN A 84 2.898 0.517 0.839 1.00 0.00 C ATOM 1306 O ASN A 84 2.753 1.600 0.273 1.00 0.00 O ATOM 1307 CB ASN A 84 3.174 0.388 3.322 1.00 0.00 C ATOM 1308 CG ASN A 84 2.482 0.358 4.670 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.340 0.797 4.805 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.174 -0.161 5.679 1.00 0.00 N ATOM 0 H ASN A 84 2.053 -1.756 2.830 1.00 0.00 H new ATOM 0 HA ASN A 84 1.377 0.937 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.918 -0.408 3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.710 1.331 3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.761 -0.207 6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.118 -0.513 5.522 1.00 0.00 H new ATOM 1317 N GLU A 85 3.663 -0.456 0.354 1.00 0.00 N ATOM 1318 CA GLU A 85 4.391 -0.304 -0.901 1.00 0.00 C ATOM 1319 C GLU A 85 3.435 -0.023 -2.056 1.00 0.00 C ATOM 1320 O GLU A 85 3.765 0.718 -2.982 1.00 0.00 O ATOM 1321 CB GLU A 85 5.209 -1.562 -1.194 1.00 0.00 C ATOM 1322 CG GLU A 85 6.511 -1.636 -0.411 1.00 0.00 C ATOM 1323 CD GLU A 85 7.693 -2.021 -1.278 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.514 -2.851 -2.194 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.799 -1.491 -1.042 1.00 0.00 O ATOM 0 H GLU A 85 3.795 -1.358 0.811 1.00 0.00 H new ATOM 0 HA GLU A 85 5.067 0.545 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.605 -2.440 -0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.433 -1.600 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.706 -0.670 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.405 -2.362 0.395 1.00 0.00 H new ATOM 1332 N CYS A 86 2.248 -0.618 -1.994 1.00 0.00 N ATOM 1333 CA CYS A 86 1.244 -0.431 -3.035 1.00 0.00 C ATOM 1334 C CYS A 86 0.857 1.039 -3.158 1.00 0.00 C ATOM 1335 O CYS A 86 1.023 1.649 -4.215 1.00 0.00 O ATOM 1336 CB CYS A 86 0.003 -1.274 -2.733 1.00 0.00 C ATOM 1337 SG CYS A 86 -1.222 -1.283 -4.061 1.00 0.00 S ATOM 0 H CYS A 86 1.958 -1.234 -1.234 1.00 0.00 H new ATOM 0 HA CYS A 86 1.673 -0.756 -3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.313 -2.299 -2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.466 -0.899 -1.823 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.003 -2.313 -3.924 1.00 0.00 H new ATOM 1343 N LEU A 87 0.341 1.603 -2.071 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.068 3.002 -2.058 1.00 0.00 C ATOM 1345 C LEU A 87 1.027 3.883 -1.463 1.00 0.00 C ATOM 1346 O LEU A 87 0.753 4.786 -0.673 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.363 3.169 -1.259 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.402 2.066 -1.472 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.476 2.132 -0.397 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.022 2.180 -2.856 1.00 0.00 C ATOM 0 H LEU A 87 0.196 1.113 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.242 3.314 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.115 3.213 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.813 4.127 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.902 1.100 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.207 1.341 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.018 2.002 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.974 3.101 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.759 1.388 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.509 3.150 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.243 2.084 -3.613 1.00 0.00 H new ATOM 1362 N ALA A 88 2.270 3.611 -1.850 1.00 0.00 N ATOM 1363 CA ALA A 88 3.408 4.376 -1.356 1.00 0.00 C ATOM 1364 C ALA A 88 3.311 5.840 -1.772 1.00 0.00 C ATOM 1365 O ALA A 88 3.555 6.741 -0.970 1.00 0.00 O ATOM 1366 CB ALA A 88 4.709 3.767 -1.857 1.00 0.00 C ATOM 0 H ALA A 88 2.514 2.867 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 88 3.396 4.336 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.551 4.348 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.790 2.739 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.719 3.777 -2.947 1.00 0.00 H new ATOM 1372 N GLU A 89 2.958 6.070 -3.032 1.00 0.00 N ATOM 1373 CA GLU A 89 2.832 7.426 -3.555 1.00 0.00 C ATOM 1374 C GLU A 89 1.555 8.092 -3.050 1.00 0.00 C ATOM 1375 O GLU A 89 1.542 9.288 -2.756 1.00 0.00 O ATOM 1376 CB GLU A 89 2.840 7.407 -5.085 1.00 0.00 C ATOM 1377 CG GLU A 89 4.188 7.041 -5.682 1.00 0.00 C ATOM 1378 CD GLU A 89 4.437 7.714 -7.017 1.00 0.00 C ATOM 1379 OE1 GLU A 89 4.627 8.948 -7.034 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.441 7.008 -8.046 1.00 0.00 O ATOM 0 H GLU A 89 2.754 5.336 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 89 3.685 8.005 -3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.092 6.696 -5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.543 8.389 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.978 7.321 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.244 5.960 -5.809 1.00 0.00 H new ATOM 1387 N GLU A 90 0.483 7.313 -2.960 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.802 7.827 -2.496 1.00 0.00 C ATOM 1389 C GLU A 90 -0.807 8.034 -0.984 1.00 0.00 C ATOM 1390 O GLU A 90 -1.509 8.905 -0.471 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.928 6.869 -2.892 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.130 6.754 -4.394 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.192 5.749 -5.033 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.067 6.141 -5.409 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.582 4.569 -5.157 1.00 0.00 O ATOM 0 H GLU A 90 0.477 6.322 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.964 8.794 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.712 5.881 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.858 7.206 -2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.161 6.464 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.978 7.731 -4.853 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.028 7.223 -0.272 1.00 0.00 N ATOM 1403 CA LEU A 91 0.048 7.310 1.186 1.00 0.00 C ATOM 1404 C LEU A 91 0.252 8.754 1.651 1.00 0.00 C ATOM 1405 O LEU A 91 -0.555 9.285 2.411 1.00 0.00 O ATOM 1406 CB LEU A 91 1.177 6.421 1.713 1.00 0.00 C ATOM 1407 CG LEU A 91 0.726 5.078 2.291 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.912 4.321 2.867 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.343 5.288 3.354 1.00 0.00 C ATOM 0 H LEU A 91 0.561 6.497 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.901 6.959 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.880 6.233 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.720 6.968 2.484 1.00 0.00 H new ATOM 0 HG LEU A 91 0.297 4.482 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.573 3.368 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.645 4.140 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.370 4.912 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.652 4.323 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.060 5.902 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.203 5.790 2.911 1.00 0.00 H new ATOM 1421 N PRO A 92 1.339 9.409 1.203 1.00 0.00 N ATOM 1422 CA PRO A 92 1.638 10.793 1.582 1.00 0.00 C ATOM 1423 C PRO A 92 0.410 11.697 1.511 1.00 0.00 C ATOM 1424 O PRO A 92 0.269 12.632 2.301 1.00 0.00 O ATOM 1425 CB PRO A 92 2.675 11.219 0.546 1.00 0.00 C ATOM 1426 CG PRO A 92 3.378 9.958 0.179 1.00 0.00 C ATOM 1427 CD PRO A 92 2.360 8.853 0.296 1.00 0.00 C ATOM 0 HA PRO A 92 1.983 10.869 2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.203 11.677 -0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.367 11.954 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.774 10.015 -0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.224 9.778 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.935 8.596 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.802 7.943 0.702 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.475 11.412 0.562 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.691 12.200 0.389 1.00 0.00 C ATOM 1437 C HIS A 93 -2.711 11.874 1.477 1.00 0.00 C ATOM 1438 O HIS A 93 -3.494 12.731 1.885 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.299 11.941 -0.990 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.446 12.424 -2.121 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.750 13.542 -2.871 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.290 11.935 -2.631 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.819 13.719 -3.791 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.078 12.759 -3.667 1.00 0.00 N ATOM 0 H HIS A 93 -0.374 10.642 -0.099 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.425 13.254 0.470 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.471 10.871 -1.107 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.272 12.428 -1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.243 11.061 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.796 14.515 -4.521 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.910 12.647 -4.246 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.693 10.629 1.942 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.614 10.188 2.983 1.00 0.00 C ATOM 1455 C ILE A 94 -3.216 10.748 4.344 1.00 0.00 C ATOM 1456 O ILE A 94 -2.132 10.462 4.851 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.666 8.649 3.074 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.865 8.039 1.685 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.776 8.212 4.016 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.200 8.379 1.060 1.00 0.00 C ATOM 0 H ILE A 94 -2.051 9.908 1.614 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.600 10.564 2.710 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.717 8.291 3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.067 8.385 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.772 6.955 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.800 7.124 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.592 8.620 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.733 8.578 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.271 7.913 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.004 8.009 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.288 9.460 0.956 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.103 11.545 4.934 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.843 12.139 6.239 1.00 0.00 C ATOM 1474 C HIS A 95 -3.784 11.064 7.319 1.00 0.00 C ATOM 1475 O HIS A 95 -3.053 11.193 8.300 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.925 13.166 6.580 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.490 14.179 7.592 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -3.994 15.420 7.250 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.478 14.133 8.946 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -3.695 16.091 8.348 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.980 15.333 9.390 1.00 0.00 N ATOM 0 H HIS A 95 -5.006 11.793 4.529 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.877 12.643 6.199 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.226 13.682 5.668 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.805 12.644 6.956 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.800 13.306 9.562 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.287 17.090 8.386 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.851 15.596 10.367 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.560 10.002 7.128 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.600 8.900 8.080 1.00 0.00 C ATOM 1492 C ALA A 96 -4.961 7.593 7.385 1.00 0.00 C ATOM 1493 O ALA A 96 -6.044 7.461 6.814 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.591 9.199 9.195 1.00 0.00 C ATOM 0 H ALA A 96 -5.171 9.882 6.320 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.607 8.790 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.610 8.366 9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.289 10.108 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.585 9.338 8.771 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.048 6.630 7.431 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.270 5.333 6.802 1.00 0.00 C ATOM 1502 C PHE A 97 -4.087 4.199 7.805 1.00 0.00 C ATOM 1503 O PHE A 97 -3.240 4.274 8.695 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.312 5.146 5.623 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.641 3.958 4.765 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.099 2.714 5.045 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.490 4.086 3.677 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.400 1.619 4.257 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.794 2.995 2.885 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.248 1.760 3.175 1.00 0.00 C ATOM 0 H PHE A 97 -3.146 6.723 7.898 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.297 5.306 6.438 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.328 6.045 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.296 5.039 6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.434 2.599 5.888 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.919 5.050 3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.973 0.654 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.458 3.108 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.483 0.906 2.557 1.00 0.00 H new ATOM 1520 N GLU A 98 -4.887 3.149 7.653 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.815 1.996 8.543 1.00 0.00 C ATOM 1522 C GLU A 98 -5.145 0.710 7.792 1.00 0.00 C ATOM 1523 O GLU A 98 -6.239 0.563 7.246 1.00 0.00 O ATOM 1524 CB GLU A 98 -5.774 2.174 9.722 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.402 1.344 10.938 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.624 2.088 12.241 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -5.363 3.309 12.280 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -6.060 1.450 13.223 1.00 0.00 O ATOM 0 H GLU A 98 -5.593 3.073 6.921 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.796 1.923 8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.798 3.227 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.782 1.906 9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.992 0.427 10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.355 1.049 10.866 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.195 -0.218 7.769 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.386 -1.491 7.083 1.00 0.00 C ATOM 1537 C GLN A 99 -4.531 -2.633 8.083 1.00 0.00 C ATOM 1538 O GLN A 99 -3.986 -2.581 9.185 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.212 -1.768 6.142 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.854 -1.486 6.762 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.785 -2.449 6.288 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -1.075 -3.592 5.935 1.00 0.00 O ATOM 1543 NE2 GLN A 99 0.462 -1.992 6.278 1.00 0.00 N ATOM 0 H GLN A 99 -3.285 -0.113 8.217 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.304 -1.426 6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.248 -2.811 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.325 -1.160 5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.553 -0.467 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.935 -1.545 7.847 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.658 -1.037 6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.224 -2.596 5.969 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.269 -3.666 7.688 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.487 -4.823 8.549 1.00 0.00 C ATOM 1554 C LYS A 100 -5.466 -6.114 7.735 1.00 0.00 C ATOM 1555 O LYS A 100 -6.272 -6.298 6.824 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.820 -4.694 9.287 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.711 -3.962 10.614 1.00 0.00 C ATOM 1558 CD LYS A 100 -8.078 -3.739 11.242 1.00 0.00 C ATOM 1559 CE LYS A 100 -8.100 -2.484 12.099 1.00 0.00 C ATOM 1560 NZ LYS A 100 -8.527 -1.288 11.322 1.00 0.00 N ATOM 0 H LYS A 100 -5.726 -3.725 6.778 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.679 -4.859 9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.530 -4.168 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.226 -5.690 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.085 -4.536 11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.219 -3.002 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.831 -3.658 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.344 -4.602 11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.777 -2.631 12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.107 -2.311 12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.611 -0.471 11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.821 -1.082 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.448 -1.474 10.876 1.00 0.00 H new ATOM 1574 N THR A 101 -4.538 -7.004 8.070 1.00 0.00 N ATOM 1575 CA THR A 101 -4.411 -8.277 7.371 1.00 0.00 C ATOM 1576 C THR A 101 -4.759 -9.443 8.291 1.00 0.00 C ATOM 1577 O THR A 101 -4.338 -9.482 9.446 1.00 0.00 O ATOM 1578 CB THR A 101 -2.990 -8.447 6.832 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.043 -8.377 7.882 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.612 -7.403 5.803 1.00 0.00 C ATOM 0 H THR A 101 -3.862 -6.867 8.822 1.00 0.00 H new ATOM 0 HA THR A 101 -5.113 -8.274 6.537 1.00 0.00 H new ATOM 0 HB THR A 101 -2.978 -9.427 6.354 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.141 -8.490 7.517 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.592 -7.581 5.462 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.294 -7.464 4.955 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.677 -6.411 6.250 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.531 -10.391 7.769 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.935 -11.559 8.543 1.00 0.00 C ATOM 1590 C LEU A 102 -6.136 -12.768 7.635 1.00 0.00 C ATOM 1591 O LEU A 102 -6.526 -12.629 6.475 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.224 -11.264 9.317 1.00 0.00 C ATOM 1593 CG LEU A 102 -7.023 -10.861 10.778 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -8.365 -10.674 11.469 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -6.187 -11.902 11.508 1.00 0.00 C ATOM 0 H LEU A 102 -5.889 -10.373 6.814 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.140 -11.788 9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.762 -10.465 8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.860 -12.148 9.284 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.488 -9.911 10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.202 -10.387 12.508 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.930 -9.892 10.961 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.926 -11.608 11.434 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.054 -11.599 12.546 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.695 -12.866 11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.212 -11.988 11.028 1.00 0.00 H new ATOM 1607 N THR A 103 -5.867 -13.955 8.170 1.00 0.00 N ATOM 1608 CA THR A 103 -6.019 -15.189 7.408 1.00 0.00 C ATOM 1609 C THR A 103 -7.482 -15.623 7.361 1.00 0.00 C ATOM 1610 O THR A 103 -8.247 -15.356 8.287 1.00 0.00 O ATOM 1611 CB THR A 103 -5.165 -16.299 8.021 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.696 -16.709 9.269 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.726 -15.891 8.247 1.00 0.00 C ATOM 0 H THR A 103 -5.543 -14.088 9.128 1.00 0.00 H new ATOM 0 HA THR A 103 -5.682 -15.002 6.389 1.00 0.00 H new ATOM 0 HB THR A 103 -5.186 -17.113 7.296 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.137 -17.421 9.644 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.176 -16.724 8.684 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.272 -15.616 7.295 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.692 -15.038 8.925 1.00 0.00 H new ATOM 1621 N PRO A 104 -7.891 -16.303 6.275 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.270 -16.774 6.112 1.00 0.00 C ATOM 1623 C PRO A 104 -9.750 -17.584 7.311 1.00 0.00 C ATOM 1624 O PRO A 104 -10.884 -17.426 7.765 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.199 -17.657 4.864 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.033 -17.139 4.098 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.042 -16.663 5.124 1.00 0.00 C ATOM 0 HA PRO A 104 -9.976 -15.948 6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.064 -18.706 5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.117 -17.591 4.280 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.601 -17.918 3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.331 -16.326 3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.324 -17.442 5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.469 -15.808 4.764 1.00 0.00 H new ATOM 1635 N GLU A 105 -8.881 -18.451 7.821 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.216 -19.285 8.968 1.00 0.00 C ATOM 1637 C GLU A 105 -9.565 -18.429 10.181 1.00 0.00 C ATOM 1638 O GLU A 105 -10.382 -18.818 11.015 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.051 -20.217 9.305 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.491 -21.594 9.778 1.00 0.00 C ATOM 1641 CD GLU A 105 -7.406 -22.640 9.614 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -6.553 -22.759 10.519 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -7.409 -23.341 8.580 1.00 0.00 O ATOM 0 H GLU A 105 -7.939 -18.594 7.457 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.088 -19.884 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.420 -20.329 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.439 -19.754 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.781 -21.538 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.375 -21.901 9.219 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.939 -17.259 10.274 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.183 -16.348 11.384 1.00 0.00 C ATOM 1652 C GLN A 106 -10.529 -15.648 11.228 1.00 0.00 C ATOM 1653 O GLN A 106 -11.359 -15.666 12.138 1.00 0.00 O ATOM 1654 CB GLN A 106 -8.063 -15.310 11.477 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.906 -15.741 12.363 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.248 -14.574 13.071 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -6.912 -13.786 13.745 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -4.933 -14.454 12.920 1.00 0.00 N ATOM 0 H GLN A 106 -8.259 -16.921 9.593 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.203 -16.934 12.303 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.686 -15.104 10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.475 -14.377 11.860 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.267 -16.454 13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.163 -16.259 11.757 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.421 -15.129 12.353 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.436 -13.686 13.372 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.740 -15.032 10.070 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.985 -14.326 9.794 1.00 0.00 C ATOM 1669 C TRP A 107 -13.180 -15.271 9.879 1.00 0.00 C ATOM 1670 O TRP A 107 -14.261 -14.882 10.319 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.932 -13.673 8.414 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.579 -12.325 8.381 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.876 -12.047 8.065 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.961 -11.070 8.682 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -14.102 -10.694 8.144 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.941 -10.072 8.522 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.672 -10.694 9.070 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -12.671 -8.723 8.736 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -10.406 -9.355 9.284 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -11.401 -8.382 9.116 1.00 0.00 C ATOM 0 H TRP A 107 -10.064 -15.008 9.307 1.00 0.00 H new ATOM 0 HA TRP A 107 -12.106 -13.550 10.550 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.892 -13.579 8.102 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.424 -14.324 7.691 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.618 -12.783 7.792 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.989 -10.229 7.953 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.898 -11.436 9.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -13.437 -7.972 8.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -9.414 -9.053 9.586 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -11.161 -7.343 9.290 1.00 0.00 H new ATOM 1691 N THR A 108 -12.976 -16.514 9.453 1.00 0.00 N ATOM 1692 CA THR A 108 -14.035 -17.514 9.480 1.00 0.00 C ATOM 1693 C THR A 108 -14.533 -17.742 10.904 1.00 0.00 C ATOM 1694 O THR A 108 -15.709 -18.034 11.122 1.00 0.00 O ATOM 1695 CB THR A 108 -13.534 -18.830 8.885 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.052 -18.633 7.568 1.00 0.00 O ATOM 1697 CG2 THR A 108 -14.597 -19.904 8.830 1.00 0.00 C ATOM 0 H THR A 108 -12.087 -16.852 9.085 1.00 0.00 H new ATOM 0 HA THR A 108 -14.866 -17.144 8.880 1.00 0.00 H new ATOM 0 HB THR A 108 -12.738 -19.164 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.072 -18.618 7.577 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.175 -20.811 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 108 -14.954 -20.115 9.838 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.429 -19.561 8.215 1.00 0.00 H new