USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 106 CYS SG : rot -19:sc= -0.0284 USER MOD Set 1.2: A 133 GLN : amide:sc= -0.05 K(o=-0.078,f=-1) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.0222 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= -0.655 (180deg=-0.865) USER MOD Single : A 60 GLN : amide:sc= -0.829 K(o=-0.83,f=-3.5!) USER MOD Single : A 61 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.56) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.56) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 82 MET CE :methyl -168:sc= -0.811 (180deg=-1.34!) USER MOD Single : A 86 ASN : amide:sc= -0.0895 X(o=-0.089,f=0) USER MOD Single : A 89 SER OG : rot -59:sc= 0.251 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.68) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0337) USER MOD Single : A 99 CYS SG : rot -35:sc= 0.527 USER MOD Single : A 100 MET CE :methyl -127:sc= -0.222 (180deg=-0.642) USER MOD Single : A 110 LYS NZ :NH3+ 175:sc= 0.0231 (180deg=0.00915) USER MOD Single : A 112 CYS SG : rot 118:sc= 0.028 USER MOD Single : A 128 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.379 -7.100 6.774 1.00 0.00 N ATOM 414 CA GLY A 55 7.062 -7.697 5.636 1.00 0.00 C ATOM 415 C GLY A 55 7.609 -6.655 4.664 1.00 0.00 C ATOM 416 O GLY A 55 8.227 -7.007 3.658 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.882 -8.319 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.372 -8.354 5.107 1.00 0.00 H new ATOM 420 N PHE A 56 7.382 -5.371 4.968 1.00 0.00 N ATOM 421 CA PHE A 56 7.857 -4.281 4.122 1.00 0.00 C ATOM 422 C PHE A 56 9.200 -3.767 4.625 1.00 0.00 C ATOM 423 O PHE A 56 10.120 -3.555 3.837 1.00 0.00 O ATOM 424 CB PHE A 56 6.839 -3.137 4.080 1.00 0.00 C ATOM 425 CG PHE A 56 7.165 -2.084 3.055 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.463 -2.439 1.748 1.00 0.00 C ATOM 427 CD2 PHE A 56 7.175 -0.741 3.399 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.763 -1.476 0.805 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.475 0.227 2.458 1.00 0.00 C ATOM 430 CZ PHE A 56 7.769 -0.142 1.160 1.00 0.00 C ATOM 0 H PHE A 56 6.871 -5.066 5.796 1.00 0.00 H new ATOM 0 HA PHE A 56 7.981 -4.668 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.852 -3.547 3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.786 -2.671 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.460 -3.481 1.464 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.946 -0.448 4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.993 -1.766 -0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.479 1.270 2.738 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.003 0.612 0.423 1.00 0.00 H new ATOM 440 N THR A 57 9.303 -3.568 5.942 1.00 0.00 N ATOM 441 CA THR A 57 10.539 -3.087 6.556 1.00 0.00 C ATOM 442 C THR A 57 11.703 -4.031 6.255 1.00 0.00 C ATOM 443 O THR A 57 12.832 -3.581 6.046 1.00 0.00 O ATOM 444 CB THR A 57 10.387 -2.920 8.083 1.00 0.00 C ATOM 445 OG1 THR A 57 9.351 -1.973 8.372 1.00 0.00 O ATOM 446 CG2 THR A 57 11.690 -2.457 8.716 1.00 0.00 C ATOM 0 H THR A 57 8.543 -3.733 6.602 1.00 0.00 H new ATOM 0 HA THR A 57 10.752 -2.110 6.122 1.00 0.00 H new ATOM 0 HB THR A 57 10.124 -3.891 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.260 -1.874 9.343 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.553 -2.348 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.470 -3.193 8.522 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.982 -1.498 8.288 1.00 0.00 H new ATOM 454 N LYS A 58 11.426 -5.336 6.231 1.00 0.00 N ATOM 455 CA LYS A 58 12.456 -6.328 5.921 1.00 0.00 C ATOM 456 C LYS A 58 12.974 -6.131 4.498 1.00 0.00 C ATOM 457 O LYS A 58 14.135 -6.424 4.204 1.00 0.00 O ATOM 458 CB LYS A 58 11.926 -7.755 6.098 1.00 0.00 C ATOM 459 CG LYS A 58 10.557 -7.991 5.475 1.00 0.00 C ATOM 460 CD LYS A 58 10.176 -9.464 5.501 1.00 0.00 C ATOM 461 CE LYS A 58 10.202 -10.039 6.912 1.00 0.00 C ATOM 462 NZ LYS A 58 9.205 -9.389 7.809 1.00 0.00 N ATOM 0 H LYS A 58 10.504 -5.728 6.421 1.00 0.00 H new ATOM 0 HA LYS A 58 13.279 -6.184 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.639 -8.453 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.873 -7.982 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.807 -7.411 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.559 -7.633 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.179 -9.587 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.862 -10.027 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.004 -11.110 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.200 -9.916 7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.341 -9.728 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.333 -8.357 7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.244 -9.627 7.490 1.00 0.00 H new ATOM 476 N GLU A 59 12.101 -5.641 3.617 1.00 0.00 N ATOM 477 CA GLU A 59 12.471 -5.372 2.235 1.00 0.00 C ATOM 478 C GLU A 59 13.180 -4.023 2.136 1.00 0.00 C ATOM 479 O GLU A 59 14.150 -3.875 1.392 1.00 0.00 O ATOM 480 CB GLU A 59 11.231 -5.371 1.337 1.00 0.00 C ATOM 481 CG GLU A 59 11.530 -4.977 -0.102 1.00 0.00 C ATOM 482 CD GLU A 59 10.292 -4.920 -0.975 1.00 0.00 C ATOM 483 OE1 GLU A 59 9.447 -4.026 -0.753 1.00 0.00 O ATOM 484 OE2 GLU A 59 10.175 -5.761 -1.890 1.00 0.00 O ATOM 0 H GLU A 59 11.130 -5.423 3.841 1.00 0.00 H new ATOM 0 HA GLU A 59 13.146 -6.159 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.782 -6.364 1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.493 -4.683 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.018 -4.003 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.235 -5.691 -0.528 1.00 0.00 H new ATOM 491 N GLN A 60 12.678 -3.041 2.890 1.00 0.00 N ATOM 492 CA GLN A 60 13.250 -1.695 2.908 1.00 0.00 C ATOM 493 C GLN A 60 14.734 -1.716 3.277 1.00 0.00 C ATOM 494 O GLN A 60 15.489 -0.837 2.866 1.00 0.00 O ATOM 495 CB GLN A 60 12.480 -0.807 3.889 1.00 0.00 C ATOM 496 CG GLN A 60 11.041 -0.553 3.471 1.00 0.00 C ATOM 497 CD GLN A 60 10.282 0.304 4.467 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.677 -0.208 5.408 1.00 0.00 O ATOM 499 NE2 GLN A 60 10.307 1.616 4.263 1.00 0.00 N ATOM 0 H GLN A 60 11.869 -3.157 3.501 1.00 0.00 H new ATOM 0 HA GLN A 60 13.162 -1.285 1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.487 -1.274 4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.997 0.148 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.031 -0.064 2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.528 -1.507 3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.821 1.999 3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.812 2.241 4.900 1.00 0.00 H new ATOM 508 N GLN A 61 15.145 -2.713 4.061 1.00 0.00 N ATOM 509 CA GLN A 61 16.546 -2.841 4.466 1.00 0.00 C ATOM 510 C GLN A 61 17.341 -3.658 3.442 1.00 0.00 C ATOM 511 O GLN A 61 18.503 -3.357 3.166 1.00 0.00 O ATOM 512 CB GLN A 61 16.650 -3.484 5.852 1.00 0.00 C ATOM 513 CG GLN A 61 16.306 -4.966 5.871 1.00 0.00 C ATOM 514 CD GLN A 61 16.321 -5.563 7.266 1.00 0.00 C ATOM 515 OE1 GLN A 61 17.045 -5.099 8.149 1.00 0.00 O ATOM 516 NE2 GLN A 61 15.526 -6.608 7.469 1.00 0.00 N ATOM 0 H GLN A 61 14.531 -3.441 4.427 1.00 0.00 H new ATOM 0 HA GLN A 61 16.974 -1.840 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.664 -3.352 6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.985 -2.958 6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.319 -5.109 5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.016 -5.506 5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.943 -6.960 6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.499 -7.058 8.384 1.00 0.00 H new ATOM 525 N ARG A 62 16.704 -4.689 2.885 1.00 0.00 N ATOM 526 CA ARG A 62 17.340 -5.553 1.890 1.00 0.00 C ATOM 527 C ARG A 62 17.610 -4.795 0.587 1.00 0.00 C ATOM 528 O ARG A 62 18.655 -4.976 -0.040 1.00 0.00 O ATOM 529 CB ARG A 62 16.449 -6.767 1.610 1.00 0.00 C ATOM 530 CG ARG A 62 17.038 -7.747 0.610 1.00 0.00 C ATOM 531 CD ARG A 62 16.104 -8.922 0.366 1.00 0.00 C ATOM 532 NE ARG A 62 16.597 -9.813 -0.685 1.00 0.00 N ATOM 533 CZ ARG A 62 15.948 -10.902 -1.105 1.00 0.00 C ATOM 534 NH1 ARG A 62 14.784 -11.249 -0.562 1.00 0.00 N ATOM 535 NH2 ARG A 62 16.469 -11.650 -2.073 1.00 0.00 N ATOM 0 H ARG A 62 15.743 -4.947 3.108 1.00 0.00 H new ATOM 0 HA ARG A 62 18.296 -5.886 2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.260 -7.290 2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.485 -6.420 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.233 -7.234 -0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 62 17.996 -8.113 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.984 -9.486 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.118 -8.548 0.090 1.00 0.00 H new ATOM 0 HE ARG A 62 17.490 -9.589 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.379 -10.681 0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.297 -12.083 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.362 -11.391 -2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.976 -12.482 -2.396 1.00 0.00 H new ATOM 549 N LEU A 63 16.659 -3.950 0.188 1.00 0.00 N ATOM 550 CA LEU A 63 16.769 -3.166 -1.042 1.00 0.00 C ATOM 551 C LEU A 63 17.238 -1.735 -0.768 1.00 0.00 C ATOM 552 O LEU A 63 17.891 -1.122 -1.617 1.00 0.00 O ATOM 553 CB LEU A 63 15.413 -3.128 -1.755 1.00 0.00 C ATOM 554 CG LEU A 63 14.744 -4.490 -1.965 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.414 -4.325 -2.682 1.00 0.00 C ATOM 556 CD2 LEU A 63 15.657 -5.424 -2.744 1.00 0.00 C ATOM 0 H LEU A 63 15.795 -3.790 0.706 1.00 0.00 H new ATOM 0 HA LEU A 63 17.514 -3.649 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.737 -2.495 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.546 -2.653 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 63 14.557 -4.933 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.953 -5.303 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.754 -3.695 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.580 -3.859 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.162 -6.385 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.879 -4.987 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.585 -5.570 -2.192 1.00 0.00 H new ATOM 568 N GLY A 64 16.909 -1.206 0.412 1.00 0.00 N ATOM 569 CA GLY A 64 17.296 0.155 0.756 1.00 0.00 C ATOM 570 C GLY A 64 16.143 1.146 0.631 1.00 0.00 C ATOM 571 O GLY A 64 16.315 2.335 0.903 1.00 0.00 O ATOM 0 H GLY A 64 16.382 -1.696 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.676 0.173 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.113 0.471 0.107 1.00 0.00 H new ATOM 575 N ILE A 65 14.970 0.653 0.213 1.00 0.00 N ATOM 576 CA ILE A 65 13.780 1.491 0.054 1.00 0.00 C ATOM 577 C ILE A 65 13.497 2.287 1.331 1.00 0.00 C ATOM 578 O ILE A 65 13.344 1.709 2.406 1.00 0.00 O ATOM 579 CB ILE A 65 12.537 0.640 -0.298 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.792 -0.184 -1.565 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.314 1.531 -0.478 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.814 -1.324 -1.756 1.00 0.00 C ATOM 0 H ILE A 65 14.822 -0.329 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 65 13.981 2.181 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 65 12.345 -0.047 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.743 0.475 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.804 -0.587 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.449 0.916 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.120 2.074 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.497 2.241 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.057 -1.862 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.879 -2.005 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.801 -0.927 -1.826 1.00 0.00 H new ATOM 594 N PRO A 66 13.423 3.630 1.225 1.00 0.00 N ATOM 595 CA PRO A 66 13.161 4.499 2.379 1.00 0.00 C ATOM 596 C PRO A 66 11.717 4.399 2.871 1.00 0.00 C ATOM 597 O PRO A 66 10.861 3.818 2.199 1.00 0.00 O ATOM 598 CB PRO A 66 13.453 5.901 1.840 1.00 0.00 C ATOM 599 CG PRO A 66 13.207 5.805 0.375 1.00 0.00 C ATOM 600 CD PRO A 66 13.589 4.404 -0.022 1.00 0.00 C ATOM 0 HA PRO A 66 13.769 4.225 3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.804 6.645 2.302 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.480 6.199 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.161 6.005 0.142 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.801 6.540 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.948 4.024 -0.818 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.614 4.357 -0.389 1.00 0.00 H new ATOM 608 N LYS A 67 11.454 4.974 4.044 1.00 0.00 N ATOM 609 CA LYS A 67 10.116 4.947 4.634 1.00 0.00 C ATOM 610 C LYS A 67 9.351 6.241 4.334 1.00 0.00 C ATOM 611 O LYS A 67 8.629 6.757 5.191 1.00 0.00 O ATOM 612 CB LYS A 67 10.208 4.725 6.149 1.00 0.00 C ATOM 613 CG LYS A 67 10.974 5.816 6.888 1.00 0.00 C ATOM 614 CD LYS A 67 10.966 5.589 8.393 1.00 0.00 C ATOM 615 CE LYS A 67 9.560 5.690 8.968 1.00 0.00 C ATOM 616 NZ LYS A 67 9.544 5.474 10.441 1.00 0.00 N ATOM 0 H LYS A 67 12.150 5.465 4.605 1.00 0.00 H new ATOM 0 HA LYS A 67 9.567 4.119 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.200 4.661 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.690 3.765 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.003 5.844 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.532 6.787 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.381 4.606 8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.611 6.324 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.145 6.672 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.917 4.953 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.568 5.551 10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.916 4.527 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.136 6.193 10.904 1.00 0.00 H new ATOM 630 N ASP A 68 9.501 6.751 3.111 1.00 0.00 N ATOM 631 CA ASP A 68 8.826 7.981 2.710 1.00 0.00 C ATOM 632 C ASP A 68 8.396 7.919 1.245 1.00 0.00 C ATOM 633 O ASP A 68 9.237 7.881 0.346 1.00 0.00 O ATOM 634 CB ASP A 68 9.740 9.187 2.933 1.00 0.00 C ATOM 635 CG ASP A 68 8.961 10.478 3.100 1.00 0.00 C ATOM 636 OD1 ASP A 68 8.229 10.860 2.164 1.00 0.00 O ATOM 637 OD2 ASP A 68 9.086 11.107 4.166 1.00 0.00 O ATOM 0 H ASP A 68 10.082 6.332 2.385 1.00 0.00 H new ATOM 0 HA ASP A 68 7.934 8.090 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.352 9.017 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.422 9.284 2.088 1.00 0.00 H new ATOM 642 N PRO A 69 7.073 7.917 0.992 1.00 0.00 N ATOM 643 CA PRO A 69 6.523 7.869 -0.370 1.00 0.00 C ATOM 644 C PRO A 69 6.847 9.123 -1.184 1.00 0.00 C ATOM 645 O PRO A 69 6.871 9.074 -2.413 1.00 0.00 O ATOM 646 CB PRO A 69 5.013 7.744 -0.149 1.00 0.00 C ATOM 647 CG PRO A 69 4.779 8.286 1.217 1.00 0.00 C ATOM 648 CD PRO A 69 6.011 7.961 2.012 1.00 0.00 C ATOM 0 HA PRO A 69 6.950 7.047 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.456 8.307 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.688 6.706 -0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.609 9.362 1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.894 7.836 1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.212 8.719 2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.914 7.008 2.532 1.00 0.00 H new ATOM 656 N ARG A 70 7.094 10.245 -0.502 1.00 0.00 N ATOM 657 CA ARG A 70 7.433 11.493 -1.186 1.00 0.00 C ATOM 658 C ARG A 70 8.892 11.470 -1.644 1.00 0.00 C ATOM 659 O ARG A 70 9.238 12.069 -2.664 1.00 0.00 O ATOM 660 CB ARG A 70 7.181 12.708 -0.284 1.00 0.00 C ATOM 661 CG ARG A 70 5.711 12.964 0.019 1.00 0.00 C ATOM 662 CD ARG A 70 5.192 12.052 1.120 1.00 0.00 C ATOM 663 NE ARG A 70 3.800 12.342 1.462 1.00 0.00 N ATOM 664 CZ ARG A 70 3.420 13.245 2.371 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.324 13.962 3.034 1.00 0.00 N ATOM 666 NH2 ARG A 70 2.128 13.434 2.616 1.00 0.00 N ATOM 0 H ARG A 70 7.066 10.314 0.515 1.00 0.00 H new ATOM 0 HA ARG A 70 6.788 11.581 -2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.715 12.566 0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.602 13.594 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.577 14.004 0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.122 12.813 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.278 11.013 0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.814 12.165 2.008 1.00 0.00 H new ATOM 0 HE ARG A 70 3.071 11.821 0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.318 13.825 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.023 14.649 3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.428 12.890 2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.836 14.123 3.309 1.00 0.00 H new ATOM 680 N GLN A 71 9.744 10.773 -0.884 1.00 0.00 N ATOM 681 CA GLN A 71 11.162 10.651 -1.226 1.00 0.00 C ATOM 682 C GLN A 71 11.423 9.337 -1.972 1.00 0.00 C ATOM 683 O GLN A 71 12.477 8.717 -1.814 1.00 0.00 O ATOM 684 CB GLN A 71 12.043 10.720 0.035 1.00 0.00 C ATOM 685 CG GLN A 71 11.454 11.540 1.176 1.00 0.00 C ATOM 686 CD GLN A 71 11.048 12.943 0.765 1.00 0.00 C ATOM 687 OE1 GLN A 71 11.664 13.556 -0.108 1.00 0.00 O ATOM 688 NE2 GLN A 71 9.997 13.460 1.395 1.00 0.00 N ATOM 0 H GLN A 71 9.475 10.286 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 71 11.422 11.487 -1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.226 9.706 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.011 11.142 -0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.583 11.020 1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.184 11.603 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.515 12.918 2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.673 14.398 1.161 1.00 0.00 H new ATOM 697 N TRP A 72 10.450 8.924 -2.789 1.00 0.00 N ATOM 698 CA TRP A 72 10.556 7.696 -3.570 1.00 0.00 C ATOM 699 C TRP A 72 10.758 8.013 -5.049 1.00 0.00 C ATOM 700 O TRP A 72 10.635 9.168 -5.465 1.00 0.00 O ATOM 701 CB TRP A 72 9.284 6.861 -3.409 1.00 0.00 C ATOM 702 CG TRP A 72 9.357 5.823 -2.334 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.284 5.726 -1.338 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.456 4.730 -2.153 1.00 0.00 C ATOM 705 NE1 TRP A 72 10.012 4.636 -0.547 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.893 4.008 -1.029 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.318 4.292 -2.836 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.233 2.874 -0.571 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.663 3.165 -2.381 1.00 0.00 C ATOM 710 CH2 TRP A 72 7.122 2.467 -1.258 1.00 0.00 C ATOM 0 H TRP A 72 9.574 9.429 -2.925 1.00 0.00 H new ATOM 0 HA TRP A 72 11.416 7.135 -3.204 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.450 7.529 -3.195 1.00 0.00 H new ATOM 0 HB3 TRP A 72 9.064 6.370 -4.357 1.00 0.00 H new ATOM 0 HD1 TRP A 72 11.110 6.406 -1.193 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.554 4.342 0.266 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.958 4.825 -3.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.584 2.334 0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.782 2.816 -2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.588 1.589 -0.927 1.00 0.00 H new ATOM 721 N THR A 73 11.067 6.987 -5.839 1.00 0.00 N ATOM 722 CA THR A 73 11.242 7.158 -7.278 1.00 0.00 C ATOM 723 C THR A 73 10.534 6.032 -8.035 1.00 0.00 C ATOM 724 O THR A 73 9.891 5.179 -7.420 1.00 0.00 O ATOM 725 CB THR A 73 12.736 7.214 -7.669 1.00 0.00 C ATOM 726 OG1 THR A 73 12.875 7.538 -9.059 1.00 0.00 O ATOM 727 CG2 THR A 73 13.427 5.887 -7.381 1.00 0.00 C ATOM 0 H THR A 73 11.201 6.032 -5.508 1.00 0.00 H new ATOM 0 HA THR A 73 10.793 8.112 -7.556 1.00 0.00 H new ATOM 0 HB THR A 73 13.210 7.990 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.826 7.572 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.477 5.954 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.353 5.662 -6.317 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.946 5.094 -7.954 1.00 0.00 H new ATOM 735 N GLU A 74 10.649 6.027 -9.364 1.00 0.00 N ATOM 736 CA GLU A 74 10.001 5.005 -10.193 1.00 0.00 C ATOM 737 C GLU A 74 10.295 3.593 -9.684 1.00 0.00 C ATOM 738 O GLU A 74 9.397 2.749 -9.632 1.00 0.00 O ATOM 739 CB GLU A 74 10.448 5.136 -11.653 1.00 0.00 C ATOM 740 CG GLU A 74 10.105 6.480 -12.277 1.00 0.00 C ATOM 741 CD GLU A 74 10.480 6.556 -13.745 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.656 6.856 -14.043 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.598 6.318 -14.595 1.00 0.00 O ATOM 0 H GLU A 74 11.184 6.718 -9.891 1.00 0.00 H new ATOM 0 HA GLU A 74 8.925 5.169 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.526 4.983 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.983 4.343 -12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.036 6.664 -12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.621 7.271 -11.733 1.00 0.00 H new ATOM 750 N THR A 75 11.550 3.340 -9.309 1.00 0.00 N ATOM 751 CA THR A 75 11.955 2.027 -8.809 1.00 0.00 C ATOM 752 C THR A 75 11.251 1.685 -7.494 1.00 0.00 C ATOM 753 O THR A 75 10.661 0.614 -7.367 1.00 0.00 O ATOM 754 CB THR A 75 13.481 1.947 -8.598 1.00 0.00 C ATOM 755 OG1 THR A 75 14.165 2.401 -9.772 1.00 0.00 O ATOM 756 CG2 THR A 75 13.909 0.521 -8.279 1.00 0.00 C ATOM 0 H THR A 75 12.303 4.028 -9.342 1.00 0.00 H new ATOM 0 HA THR A 75 11.662 1.303 -9.569 1.00 0.00 H new ATOM 0 HB THR A 75 13.741 2.588 -7.755 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.133 2.348 -9.628 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.989 0.489 -8.134 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.411 0.187 -7.369 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.634 -0.135 -9.105 1.00 0.00 H new ATOM 764 N HIS A 76 11.321 2.599 -6.522 1.00 0.00 N ATOM 765 CA HIS A 76 10.691 2.384 -5.215 1.00 0.00 C ATOM 766 C HIS A 76 9.181 2.190 -5.353 1.00 0.00 C ATOM 767 O HIS A 76 8.596 1.329 -4.693 1.00 0.00 O ATOM 768 CB HIS A 76 10.979 3.554 -4.268 1.00 0.00 C ATOM 769 CG HIS A 76 12.427 3.700 -3.912 1.00 0.00 C ATOM 770 ND1 HIS A 76 13.052 4.923 -3.782 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.374 2.768 -3.650 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.319 4.736 -3.456 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.539 3.438 -3.369 1.00 0.00 N ATOM 0 H HIS A 76 11.806 3.492 -6.614 1.00 0.00 H new ATOM 0 HA HIS A 76 11.121 1.475 -4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.633 4.478 -4.731 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.401 3.420 -3.354 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.238 1.697 -3.660 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.050 5.513 -3.289 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.430 3.003 -3.131 1.00 0.00 H new ATOM 782 N VAL A 77 8.559 3.001 -6.210 1.00 0.00 N ATOM 783 CA VAL A 77 7.121 2.923 -6.455 1.00 0.00 C ATOM 784 C VAL A 77 6.728 1.549 -6.998 1.00 0.00 C ATOM 785 O VAL A 77 5.852 0.880 -6.452 1.00 0.00 O ATOM 786 CB VAL A 77 6.672 4.006 -7.462 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.236 3.767 -7.914 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.817 5.390 -6.846 1.00 0.00 C ATOM 0 H VAL A 77 9.035 3.724 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 77 6.623 3.088 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 77 7.315 3.946 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.944 4.542 -8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.163 2.791 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.573 3.796 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.497 6.144 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.198 5.457 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.860 5.562 -6.579 1.00 0.00 H new ATOM 798 N ARG A 78 7.402 1.139 -8.075 1.00 0.00 N ATOM 799 CA ARG A 78 7.135 -0.141 -8.724 1.00 0.00 C ATOM 800 C ARG A 78 7.542 -1.318 -7.840 1.00 0.00 C ATOM 801 O ARG A 78 6.777 -2.272 -7.694 1.00 0.00 O ATOM 802 CB ARG A 78 7.863 -0.211 -10.066 1.00 0.00 C ATOM 803 CG ARG A 78 7.663 -1.524 -10.805 1.00 0.00 C ATOM 804 CD ARG A 78 8.355 -1.506 -12.158 1.00 0.00 C ATOM 805 NE ARG A 78 7.687 -0.613 -13.107 1.00 0.00 N ATOM 806 CZ ARG A 78 7.967 -0.563 -14.411 1.00 0.00 C ATOM 807 NH1 ARG A 78 8.903 -1.351 -14.935 1.00 0.00 N ATOM 808 NH2 ARG A 78 7.307 0.282 -15.198 1.00 0.00 N ATOM 0 H ARG A 78 8.143 1.683 -8.517 1.00 0.00 H new ATOM 0 HA ARG A 78 6.060 -0.211 -8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.519 0.607 -10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.929 -0.058 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.055 -2.345 -10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.597 -1.709 -10.941 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.390 -1.190 -12.031 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.378 -2.516 -12.566 1.00 0.00 H new ATOM 0 HE ARG A 78 6.963 0.010 -12.749 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.414 -2.001 -14.339 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.109 -1.304 -15.933 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.589 0.890 -14.805 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.519 0.322 -16.195 1.00 0.00 H new ATOM 822 N ASP A 79 8.742 -1.260 -7.257 1.00 0.00 N ATOM 823 CA ASP A 79 9.212 -2.342 -6.395 1.00 0.00 C ATOM 824 C ASP A 79 8.224 -2.587 -5.257 1.00 0.00 C ATOM 825 O ASP A 79 7.945 -3.736 -4.908 1.00 0.00 O ATOM 826 CB ASP A 79 10.604 -2.037 -5.835 1.00 0.00 C ATOM 827 CG ASP A 79 11.189 -3.211 -5.070 1.00 0.00 C ATOM 828 OD1 ASP A 79 10.781 -3.429 -3.908 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.052 -3.916 -5.634 1.00 0.00 O ATOM 0 H ASP A 79 9.397 -0.485 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 79 9.281 -3.246 -7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.272 -1.771 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.546 -1.170 -5.177 1.00 0.00 H new ATOM 834 N TRP A 80 7.698 -1.501 -4.681 1.00 0.00 N ATOM 835 CA TRP A 80 6.726 -1.617 -3.598 1.00 0.00 C ATOM 836 C TRP A 80 5.457 -2.279 -4.131 1.00 0.00 C ATOM 837 O TRP A 80 5.064 -3.344 -3.657 1.00 0.00 O ATOM 838 CB TRP A 80 6.415 -0.249 -2.974 1.00 0.00 C ATOM 839 CG TRP A 80 5.125 -0.223 -2.206 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.873 -0.811 -1.001 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.909 0.417 -2.604 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.572 -0.577 -0.626 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.960 0.176 -1.594 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.531 1.173 -3.717 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.657 0.662 -1.666 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.239 1.656 -3.787 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.316 1.399 -2.767 1.00 0.00 C ATOM 0 H TRP A 80 7.928 -0.543 -4.945 1.00 0.00 H new ATOM 0 HA TRP A 80 7.150 -2.237 -2.808 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.231 0.032 -2.309 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.374 0.501 -3.764 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.591 -1.377 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.133 -0.909 0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.237 1.376 -4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.942 0.464 -0.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.936 2.241 -4.643 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.313 1.791 -2.851 1.00 0.00 H new ATOM 858 N VAL A 81 4.806 -1.621 -5.100 1.00 0.00 N ATOM 859 CA VAL A 81 3.603 -2.161 -5.740 1.00 0.00 C ATOM 860 C VAL A 81 3.753 -3.661 -6.000 1.00 0.00 C ATOM 861 O VAL A 81 2.909 -4.458 -5.594 1.00 0.00 O ATOM 862 CB VAL A 81 3.305 -1.442 -7.079 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.217 -2.166 -7.862 1.00 0.00 C ATOM 864 CG2 VAL A 81 2.905 0.004 -6.834 1.00 0.00 C ATOM 0 H VAL A 81 5.095 -0.711 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 81 2.772 -1.992 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 81 4.218 -1.456 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.029 -1.638 -8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.541 -3.184 -8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.301 -2.194 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.700 0.491 -7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.011 0.034 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.717 0.525 -6.327 1.00 0.00 H new ATOM 874 N MET A 82 4.844 -4.030 -6.677 1.00 0.00 N ATOM 875 CA MET A 82 5.135 -5.428 -6.993 1.00 0.00 C ATOM 876 C MET A 82 5.221 -6.265 -5.718 1.00 0.00 C ATOM 877 O MET A 82 4.623 -7.339 -5.626 1.00 0.00 O ATOM 878 CB MET A 82 6.449 -5.522 -7.771 1.00 0.00 C ATOM 879 CG MET A 82 6.650 -6.845 -8.489 1.00 0.00 C ATOM 880 SD MET A 82 8.093 -6.831 -9.570 1.00 0.00 S ATOM 881 CE MET A 82 7.705 -5.445 -10.640 1.00 0.00 C ATOM 0 H MET A 82 5.545 -3.372 -7.019 1.00 0.00 H new ATOM 0 HA MET A 82 4.324 -5.820 -7.607 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.484 -4.715 -8.502 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.279 -5.365 -7.082 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.759 -7.641 -7.753 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.761 -7.074 -9.077 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.388 -5.439 -11.489 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.680 -5.538 -10.999 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.811 -4.514 -10.083 1.00 0.00 H new ATOM 891 N TRP A 83 5.977 -5.762 -4.741 1.00 0.00 N ATOM 892 CA TRP A 83 6.144 -6.438 -3.456 1.00 0.00 C ATOM 893 C TRP A 83 4.787 -6.678 -2.786 1.00 0.00 C ATOM 894 O TRP A 83 4.568 -7.726 -2.178 1.00 0.00 O ATOM 895 CB TRP A 83 7.064 -5.610 -2.549 1.00 0.00 C ATOM 896 CG TRP A 83 6.947 -5.938 -1.092 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.669 -6.865 -0.397 1.00 0.00 C ATOM 898 CD2 TRP A 83 6.055 -5.334 -0.151 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.281 -6.871 0.920 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.289 -5.942 1.095 1.00 0.00 C ATOM 901 CE3 TRP A 83 5.079 -4.336 -0.243 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.582 -5.583 2.239 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.379 -3.983 0.894 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.634 -4.605 2.121 1.00 0.00 C ATOM 0 H TRP A 83 6.487 -4.882 -4.818 1.00 0.00 H new ATOM 0 HA TRP A 83 6.605 -7.411 -3.628 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.097 -5.762 -2.862 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.840 -4.553 -2.691 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.433 -7.500 -0.821 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.668 -7.470 1.649 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.877 -3.850 -1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.776 -6.061 3.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.623 -3.214 0.835 1.00 0.00 H new ATOM 0 HH2 TRP A 83 4.071 -4.306 2.993 1.00 0.00 H new ATOM 915 N ALA A 84 3.879 -5.705 -2.910 1.00 0.00 N ATOM 916 CA ALA A 84 2.544 -5.823 -2.327 1.00 0.00 C ATOM 917 C ALA A 84 1.768 -6.933 -3.030 1.00 0.00 C ATOM 918 O ALA A 84 1.096 -7.740 -2.386 1.00 0.00 O ATOM 919 CB ALA A 84 1.798 -4.500 -2.422 1.00 0.00 C ATOM 0 H ALA A 84 4.046 -4.830 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 84 2.642 -6.078 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.806 -4.609 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.351 -3.731 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.701 -4.211 -3.469 1.00 0.00 H new ATOM 925 N VAL A 85 1.863 -6.950 -4.363 1.00 0.00 N ATOM 926 CA VAL A 85 1.214 -7.975 -5.179 1.00 0.00 C ATOM 927 C VAL A 85 1.600 -9.376 -4.692 1.00 0.00 C ATOM 928 O VAL A 85 0.795 -10.302 -4.749 1.00 0.00 O ATOM 929 CB VAL A 85 1.594 -7.834 -6.671 1.00 0.00 C ATOM 930 CG1 VAL A 85 1.020 -8.982 -7.490 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.118 -6.500 -7.222 1.00 0.00 C ATOM 0 H VAL A 85 2.387 -6.260 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 85 0.138 -7.836 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 85 2.681 -7.872 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.302 -8.859 -8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.413 -9.928 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.067 -8.982 -7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.395 -6.421 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.034 -6.433 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.583 -5.688 -6.662 1.00 0.00 H new ATOM 941 N ASN A 86 2.841 -9.517 -4.220 1.00 0.00 N ATOM 942 CA ASN A 86 3.337 -10.794 -3.711 1.00 0.00 C ATOM 943 C ASN A 86 2.846 -11.048 -2.281 1.00 0.00 C ATOM 944 O ASN A 86 2.551 -12.186 -1.914 1.00 0.00 O ATOM 945 CB ASN A 86 4.870 -10.816 -3.752 1.00 0.00 C ATOM 946 CG ASN A 86 5.453 -12.119 -3.235 1.00 0.00 C ATOM 947 OD1 ASN A 86 5.624 -13.077 -3.988 1.00 0.00 O ATOM 948 ND2 ASN A 86 5.764 -12.161 -1.943 1.00 0.00 N ATOM 0 H ASN A 86 3.522 -8.758 -4.181 1.00 0.00 H new ATOM 0 HA ASN A 86 2.948 -11.588 -4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.204 -10.655 -4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.257 -9.989 -3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.161 -13.011 -1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.606 -11.344 -1.354 1.00 0.00 H new ATOM 955 N GLU A 87 2.758 -9.979 -1.483 1.00 0.00 N ATOM 956 CA GLU A 87 2.306 -10.083 -0.093 1.00 0.00 C ATOM 957 C GLU A 87 0.824 -10.455 -0.013 1.00 0.00 C ATOM 958 O GLU A 87 0.423 -11.245 0.843 1.00 0.00 O ATOM 959 CB GLU A 87 2.540 -8.758 0.643 1.00 0.00 C ATOM 960 CG GLU A 87 4.005 -8.363 0.757 1.00 0.00 C ATOM 961 CD GLU A 87 4.741 -9.130 1.839 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.275 -10.217 1.537 1.00 0.00 O ATOM 963 OE2 GLU A 87 4.787 -8.639 2.987 1.00 0.00 O ATOM 0 H GLU A 87 2.994 -9.031 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 87 2.886 -10.874 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.000 -7.966 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.115 -8.830 1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.497 -8.533 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.073 -7.295 0.965 1.00 0.00 H new ATOM 970 N PHE A 88 0.018 -9.881 -0.909 1.00 0.00 N ATOM 971 CA PHE A 88 -1.421 -10.143 -0.937 1.00 0.00 C ATOM 972 C PHE A 88 -1.826 -11.014 -2.132 1.00 0.00 C ATOM 973 O PHE A 88 -3.018 -11.204 -2.380 1.00 0.00 O ATOM 974 CB PHE A 88 -2.196 -8.823 -0.999 1.00 0.00 C ATOM 975 CG PHE A 88 -2.051 -7.963 0.224 1.00 0.00 C ATOM 976 CD1 PHE A 88 -2.841 -8.185 1.340 1.00 0.00 C ATOM 977 CD2 PHE A 88 -1.133 -6.924 0.253 1.00 0.00 C ATOM 978 CE1 PHE A 88 -2.718 -7.390 2.462 1.00 0.00 C ATOM 979 CE2 PHE A 88 -1.008 -6.124 1.371 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.801 -6.357 2.478 1.00 0.00 C ATOM 0 H PHE A 88 0.339 -9.230 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.665 -10.683 -0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.859 -8.258 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.253 -9.042 -1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.562 -8.989 1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.509 -6.739 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.338 -7.576 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.291 -5.317 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.704 -5.733 3.354 1.00 0.00 H new ATOM 990 N SER A 89 -0.836 -11.553 -2.862 1.00 0.00 N ATOM 991 CA SER A 89 -1.105 -12.379 -4.043 1.00 0.00 C ATOM 992 C SER A 89 -2.162 -11.714 -4.933 1.00 0.00 C ATOM 993 O SER A 89 -3.147 -12.343 -5.328 1.00 0.00 O ATOM 994 CB SER A 89 -1.554 -13.782 -3.624 1.00 0.00 C ATOM 995 OG SER A 89 -1.649 -14.648 -4.744 1.00 0.00 O ATOM 0 H SER A 89 0.155 -11.430 -2.653 1.00 0.00 H new ATOM 0 HA SER A 89 -0.184 -12.472 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.847 -14.192 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.521 -13.723 -3.124 1.00 0.00 H new ATOM 0 HG SER A 89 -2.295 -14.284 -5.385 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.941 -10.434 -5.250 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.877 -9.670 -6.071 1.00 0.00 C ATOM 1003 C LEU A 90 -2.720 -10.002 -7.555 1.00 0.00 C ATOM 1004 O LEU A 90 -1.853 -10.792 -7.938 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.674 -8.167 -5.844 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.771 -7.707 -4.387 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.580 -6.201 -4.289 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.107 -8.116 -3.785 1.00 0.00 C ATOM 0 H LEU A 90 -1.121 -9.908 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.887 -9.947 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.695 -7.887 -6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.416 -7.624 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.976 -8.192 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.652 -5.892 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.599 -5.933 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.352 -5.698 -4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.157 -7.780 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.917 -7.660 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.205 -9.201 -3.820 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.565 -9.390 -8.386 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.526 -9.617 -9.830 1.00 0.00 C ATOM 1022 C LYS A 91 -4.266 -8.513 -10.588 1.00 0.00 C ATOM 1023 O LYS A 91 -5.186 -7.887 -10.056 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.123 -10.989 -10.181 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.567 -11.181 -9.731 1.00 0.00 C ATOM 1026 CD LYS A 91 -5.662 -11.453 -8.237 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.076 -11.835 -7.826 1.00 0.00 C ATOM 1028 NZ LYS A 91 -7.182 -12.085 -6.361 1.00 0.00 N ATOM 0 H LYS A 91 -4.284 -8.733 -8.083 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.480 -9.598 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.070 -11.129 -11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.508 -11.766 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.145 -10.290 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.012 -12.011 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.975 -12.256 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.349 -10.567 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.764 -11.038 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.383 -12.729 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.161 -12.342 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.545 -12.863 -6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.914 -11.225 -5.842 1.00 0.00 H new ATOM 1042 N GLY A 92 -3.851 -8.283 -11.834 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.481 -7.265 -12.661 1.00 0.00 C ATOM 1044 C GLY A 92 -3.856 -5.881 -12.517 1.00 0.00 C ATOM 1045 O GLY A 92 -4.170 -4.982 -13.300 1.00 0.00 O ATOM 0 H GLY A 92 -3.087 -8.786 -12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.424 -7.572 -13.705 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.538 -7.204 -12.404 1.00 0.00 H new ATOM 1049 N VAL A 93 -2.974 -5.700 -11.529 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.327 -4.408 -11.312 1.00 0.00 C ATOM 1051 C VAL A 93 -1.250 -4.156 -12.363 1.00 0.00 C ATOM 1052 O VAL A 93 -0.418 -5.023 -12.638 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.713 -4.300 -9.895 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.599 -5.317 -9.699 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.208 -2.886 -9.634 1.00 0.00 C ATOM 0 H VAL A 93 -2.695 -6.429 -10.872 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.101 -3.646 -11.404 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.497 -4.523 -9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.187 -5.217 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.998 -6.323 -9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.188 -5.141 -10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.780 -2.831 -8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.445 -2.631 -10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.037 -2.183 -9.713 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.278 -2.962 -12.950 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.318 -2.588 -13.981 1.00 0.00 C ATOM 1067 C ASP A 94 0.814 -1.738 -13.409 1.00 0.00 C ATOM 1068 O ASP A 94 0.574 -0.794 -12.653 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.025 -1.821 -15.098 1.00 0.00 C ATOM 1070 CG ASP A 94 -2.077 -2.658 -15.804 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -3.230 -2.690 -15.325 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -1.746 -3.279 -16.835 1.00 0.00 O ATOM 0 H ASP A 94 -1.958 -2.236 -12.727 1.00 0.00 H new ATOM 0 HA ASP A 94 0.116 -3.504 -14.382 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.494 -0.930 -14.681 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.287 -1.482 -15.825 1.00 0.00 H new ATOM 1077 N PHE A 95 2.046 -2.081 -13.781 1.00 0.00 N ATOM 1078 CA PHE A 95 3.224 -1.345 -13.324 1.00 0.00 C ATOM 1079 C PHE A 95 3.510 -0.164 -14.255 1.00 0.00 C ATOM 1080 O PHE A 95 4.148 0.809 -13.849 1.00 0.00 O ATOM 1081 CB PHE A 95 4.443 -2.268 -13.232 1.00 0.00 C ATOM 1082 CG PHE A 95 4.253 -3.413 -12.276 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.387 -3.221 -10.910 1.00 0.00 C ATOM 1084 CD2 PHE A 95 3.939 -4.680 -12.744 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.210 -4.270 -10.029 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.762 -5.733 -11.867 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.898 -5.527 -10.508 1.00 0.00 C ATOM 0 H PHE A 95 2.255 -2.865 -14.399 1.00 0.00 H new ATOM 0 HA PHE A 95 3.019 -0.957 -12.326 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.665 -2.664 -14.223 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.309 -1.684 -12.921 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.633 -2.240 -10.530 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.832 -4.846 -13.806 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.316 -4.107 -8.967 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.518 -6.715 -12.243 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.760 -6.348 -9.820 1.00 0.00 H new ATOM 1097 N GLN A 96 3.039 -0.257 -15.504 1.00 0.00 N ATOM 1098 CA GLN A 96 3.208 0.826 -16.473 1.00 0.00 C ATOM 1099 C GLN A 96 2.469 2.077 -15.990 1.00 0.00 C ATOM 1100 O GLN A 96 2.907 3.202 -16.234 1.00 0.00 O ATOM 1101 CB GLN A 96 2.693 0.402 -17.855 1.00 0.00 C ATOM 1102 CG GLN A 96 1.212 0.050 -17.886 1.00 0.00 C ATOM 1103 CD GLN A 96 0.757 -0.468 -19.238 1.00 0.00 C ATOM 1104 OE1 GLN A 96 1.527 -1.092 -19.970 1.00 0.00 O ATOM 1105 NE2 GLN A 96 -0.502 -0.213 -19.580 1.00 0.00 N ATOM 0 H GLN A 96 2.539 -1.070 -15.864 1.00 0.00 H new ATOM 0 HA GLN A 96 4.270 1.053 -16.561 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.878 1.210 -18.563 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.267 -0.459 -18.196 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.007 -0.704 -17.126 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.628 0.933 -17.625 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.108 0.307 -18.945 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.862 -0.538 -20.477 1.00 0.00 H new ATOM 1114 N LYS A 97 1.344 1.861 -15.298 1.00 0.00 N ATOM 1115 CA LYS A 97 0.541 2.948 -14.742 1.00 0.00 C ATOM 1116 C LYS A 97 1.291 3.664 -13.619 1.00 0.00 C ATOM 1117 O LYS A 97 1.162 4.878 -13.455 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.782 2.399 -14.198 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.926 2.445 -15.199 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.736 1.435 -16.320 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.865 1.507 -17.336 1.00 0.00 C ATOM 1122 NZ LYS A 97 -2.799 2.749 -18.157 1.00 0.00 N ATOM 0 H LYS A 97 0.969 0.931 -15.110 1.00 0.00 H new ATOM 0 HA LYS A 97 0.342 3.662 -15.541 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.632 1.367 -13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.064 2.969 -13.312 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.867 2.246 -14.686 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.000 3.447 -15.621 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.785 1.619 -16.819 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.687 0.430 -15.901 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.819 0.637 -17.991 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.823 1.466 -16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.512 2.704 -18.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.987 3.575 -17.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.852 2.836 -18.579 1.00 0.00 H new ATOM 1136 N PHE A 98 2.075 2.903 -12.848 1.00 0.00 N ATOM 1137 CA PHE A 98 2.840 3.464 -11.737 1.00 0.00 C ATOM 1138 C PHE A 98 4.309 3.680 -12.114 1.00 0.00 C ATOM 1139 O PHE A 98 5.201 3.523 -11.276 1.00 0.00 O ATOM 1140 CB PHE A 98 2.745 2.547 -10.512 1.00 0.00 C ATOM 1141 CG PHE A 98 1.339 2.315 -10.036 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.525 3.382 -9.693 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.832 1.029 -9.931 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.768 3.173 -9.255 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.461 0.814 -9.494 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.261 1.888 -9.155 1.00 0.00 C ATOM 0 H PHE A 98 2.194 1.898 -12.975 1.00 0.00 H new ATOM 0 HA PHE A 98 2.409 4.436 -11.497 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.200 1.586 -10.753 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.327 2.981 -9.699 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.906 4.390 -9.769 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.454 0.186 -10.194 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.392 4.014 -8.991 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.846 -0.192 -9.418 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.272 1.722 -8.812 1.00 0.00 H new ATOM 1156 N CYS A 99 4.559 4.044 -13.373 1.00 0.00 N ATOM 1157 CA CYS A 99 5.918 4.292 -13.843 1.00 0.00 C ATOM 1158 C CYS A 99 6.306 5.749 -13.587 1.00 0.00 C ATOM 1159 O CYS A 99 6.530 6.523 -14.521 1.00 0.00 O ATOM 1160 CB CYS A 99 6.036 3.952 -15.334 1.00 0.00 C ATOM 1161 SG CYS A 99 7.727 3.992 -15.973 1.00 0.00 S ATOM 0 H CYS A 99 3.838 4.173 -14.083 1.00 0.00 H new ATOM 0 HA CYS A 99 6.605 3.650 -13.291 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.619 2.959 -15.503 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.428 4.654 -15.904 1.00 0.00 H new ATOM 0 HG CYS A 99 8.393 4.937 -15.378 1.00 0.00 H new ATOM 1167 N MET A 100 6.378 6.114 -12.306 1.00 0.00 N ATOM 1168 CA MET A 100 6.723 7.476 -11.904 1.00 0.00 C ATOM 1169 C MET A 100 7.310 7.492 -10.493 1.00 0.00 C ATOM 1170 O MET A 100 7.231 6.499 -9.766 1.00 0.00 O ATOM 1171 CB MET A 100 5.485 8.377 -11.967 1.00 0.00 C ATOM 1172 CG MET A 100 4.490 8.131 -10.842 1.00 0.00 C ATOM 1173 SD MET A 100 2.889 8.901 -11.144 1.00 0.00 S ATOM 1174 CE MET A 100 2.207 7.795 -12.376 1.00 0.00 C ATOM 0 H MET A 100 6.201 5.481 -11.526 1.00 0.00 H new ATOM 0 HA MET A 100 7.475 7.856 -12.596 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.803 9.419 -11.937 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.984 8.224 -12.923 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.353 7.057 -10.713 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.902 8.514 -9.909 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.887 8.371 -13.244 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.967 7.074 -12.679 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.352 7.266 -11.956 1.00 0.00 H new ATOM 1184 N SER A 101 7.890 8.628 -10.109 1.00 0.00 N ATOM 1185 CA SER A 101 8.491 8.771 -8.785 1.00 0.00 C ATOM 1186 C SER A 101 7.422 8.894 -7.699 1.00 0.00 C ATOM 1187 O SER A 101 6.271 9.232 -7.982 1.00 0.00 O ATOM 1188 CB SER A 101 9.427 9.982 -8.747 1.00 0.00 C ATOM 1189 OG SER A 101 10.519 9.811 -9.634 1.00 0.00 O ATOM 0 H SER A 101 7.956 9.461 -10.695 1.00 0.00 H new ATOM 0 HA SER A 101 9.072 7.871 -8.586 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.874 10.882 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.798 10.127 -7.732 1.00 0.00 H new ATOM 0 HG SER A 101 11.101 10.598 -9.592 1.00 0.00 H new ATOM 1195 N GLY A 102 7.817 8.610 -6.458 1.00 0.00 N ATOM 1196 CA GLY A 102 6.897 8.681 -5.335 1.00 0.00 C ATOM 1197 C GLY A 102 6.221 10.034 -5.208 1.00 0.00 C ATOM 1198 O GLY A 102 5.015 10.106 -4.967 1.00 0.00 O ATOM 0 H GLY A 102 8.766 8.330 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.135 7.909 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.438 8.463 -4.414 1.00 0.00 H new ATOM 1202 N ALA A 103 7.000 11.108 -5.370 1.00 0.00 N ATOM 1203 CA ALA A 103 6.467 12.469 -5.289 1.00 0.00 C ATOM 1204 C ALA A 103 5.266 12.645 -6.221 1.00 0.00 C ATOM 1205 O ALA A 103 4.293 13.314 -5.872 1.00 0.00 O ATOM 1206 CB ALA A 103 7.551 13.479 -5.631 1.00 0.00 C ATOM 0 H ALA A 103 8.001 11.060 -5.558 1.00 0.00 H new ATOM 0 HA ALA A 103 6.131 12.642 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.142 14.487 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.378 13.378 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.911 13.297 -6.643 1.00 0.00 H new ATOM 1212 N ALA A 104 5.345 12.033 -7.407 1.00 0.00 N ATOM 1213 CA ALA A 104 4.265 12.108 -8.389 1.00 0.00 C ATOM 1214 C ALA A 104 3.066 11.277 -7.940 1.00 0.00 C ATOM 1215 O ALA A 104 1.925 11.733 -8.006 1.00 0.00 O ATOM 1216 CB ALA A 104 4.753 11.629 -9.748 1.00 0.00 C ATOM 0 H ALA A 104 6.148 11.480 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 104 3.952 13.149 -8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.938 11.690 -10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.580 12.257 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.091 10.596 -9.670 1.00 0.00 H new ATOM 1222 N LEU A 105 3.343 10.052 -7.485 1.00 0.00 N ATOM 1223 CA LEU A 105 2.303 9.138 -7.012 1.00 0.00 C ATOM 1224 C LEU A 105 1.470 9.780 -5.901 1.00 0.00 C ATOM 1225 O LEU A 105 0.241 9.684 -5.904 1.00 0.00 O ATOM 1226 CB LEU A 105 2.938 7.839 -6.508 1.00 0.00 C ATOM 1227 CG LEU A 105 1.995 6.638 -6.436 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.576 6.204 -7.833 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.657 5.487 -5.690 1.00 0.00 C ATOM 0 H LEU A 105 4.287 9.669 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 105 1.640 8.914 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.774 7.585 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.351 8.017 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 105 1.100 6.932 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.905 5.348 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.063 7.027 -8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.459 5.926 -8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.973 4.640 -5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.568 5.192 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.905 5.805 -4.677 1.00 0.00 H new ATOM 1241 N CYS A 106 2.145 10.429 -4.950 1.00 0.00 N ATOM 1242 CA CYS A 106 1.465 11.101 -3.842 1.00 0.00 C ATOM 1243 C CYS A 106 0.631 12.278 -4.351 1.00 0.00 C ATOM 1244 O CYS A 106 -0.497 12.491 -3.903 1.00 0.00 O ATOM 1245 CB CYS A 106 2.485 11.585 -2.808 1.00 0.00 C ATOM 1246 SG CYS A 106 1.761 12.474 -1.411 1.00 0.00 S ATOM 0 H CYS A 106 3.162 10.503 -4.925 1.00 0.00 H new ATOM 0 HA CYS A 106 0.795 10.384 -3.368 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.038 10.725 -2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 106 3.207 12.235 -3.303 1.00 0.00 H new ATOM 0 HG CYS A 106 0.570 12.886 -1.729 1.00 0.00 H new ATOM 1252 N ALA A 107 1.199 13.037 -5.293 1.00 0.00 N ATOM 1253 CA ALA A 107 0.515 14.190 -5.881 1.00 0.00 C ATOM 1254 C ALA A 107 -0.749 13.766 -6.636 1.00 0.00 C ATOM 1255 O ALA A 107 -1.723 14.519 -6.700 1.00 0.00 O ATOM 1256 CB ALA A 107 1.457 14.943 -6.810 1.00 0.00 C ATOM 0 H ALA A 107 2.134 12.872 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 107 0.212 14.850 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.936 15.798 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.322 15.291 -6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.788 14.279 -7.609 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.725 12.556 -7.206 1.00 0.00 N ATOM 1263 CA LEU A 108 -1.863 12.024 -7.958 1.00 0.00 C ATOM 1264 C LEU A 108 -3.113 11.886 -7.084 1.00 0.00 C ATOM 1265 O LEU A 108 -4.229 12.130 -7.546 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.509 10.660 -8.563 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.592 10.704 -9.787 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.233 9.295 -10.232 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.254 11.470 -10.925 1.00 0.00 C ATOM 0 H LEU A 108 0.075 11.925 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.084 12.735 -8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.031 10.053 -7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.433 10.153 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 108 0.325 11.224 -9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.420 9.344 -11.104 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.281 8.778 -9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.142 8.752 -10.490 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.587 11.490 -11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.187 10.978 -11.200 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.463 12.490 -10.604 1.00 0.00 H new ATOM 1281 N GLY A 109 -2.919 11.503 -5.820 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.039 11.328 -4.912 1.00 0.00 C ATOM 1283 C GLY A 109 -4.706 9.970 -5.059 1.00 0.00 C ATOM 1284 O GLY A 109 -4.327 9.175 -5.921 1.00 0.00 O ATOM 0 H GLY A 109 -2.004 11.311 -5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.692 11.449 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.775 12.111 -5.094 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.697 9.705 -4.207 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.427 8.436 -4.234 1.00 0.00 C ATOM 1290 C LYS A 110 -7.145 8.226 -5.570 1.00 0.00 C ATOM 1291 O LYS A 110 -7.003 7.175 -6.191 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.443 8.378 -3.089 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.320 7.138 -3.114 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.388 7.190 -2.035 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.555 6.272 -2.359 1.00 0.00 C ATOM 1296 NZ LYS A 110 -10.140 4.842 -2.456 1.00 0.00 N ATOM 0 H LYS A 110 -6.014 10.354 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.695 7.637 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.910 8.416 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.078 9.263 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.793 7.045 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.702 6.251 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.953 6.903 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.748 8.213 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.320 6.375 -1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.007 6.582 -3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.980 4.245 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.494 4.722 -3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.656 4.561 -1.580 1.00 0.00 H new ATOM 1310 N GLU A 111 -7.920 9.226 -5.998 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.670 9.148 -7.256 1.00 0.00 C ATOM 1312 C GLU A 111 -7.783 8.720 -8.430 1.00 0.00 C ATOM 1313 O GLU A 111 -8.112 7.767 -9.137 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.349 10.490 -7.563 1.00 0.00 C ATOM 1315 CG GLU A 111 -8.396 11.676 -7.627 1.00 0.00 C ATOM 1316 CD GLU A 111 -9.117 12.994 -7.828 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.482 13.631 -6.817 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.316 13.390 -8.996 1.00 0.00 O ATOM 0 H GLU A 111 -8.045 10.102 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.435 8.382 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.873 10.409 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.102 10.685 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.815 11.721 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.689 11.525 -8.442 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.659 9.408 -8.628 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.750 9.088 -9.728 1.00 0.00 C ATOM 1327 C CYS A 112 -5.100 7.717 -9.541 1.00 0.00 C ATOM 1328 O CYS A 112 -4.998 6.940 -10.492 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.673 10.165 -9.862 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.297 11.766 -10.428 1.00 0.00 S ATOM 0 H CYS A 112 -6.357 10.187 -8.044 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.341 9.057 -10.643 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.185 10.298 -8.896 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.911 9.817 -10.559 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.083 12.664 -9.512 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.673 7.417 -8.311 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.033 6.138 -8.009 1.00 0.00 C ATOM 1338 C PHE A 113 -4.999 4.973 -8.225 1.00 0.00 C ATOM 1339 O PHE A 113 -4.615 3.936 -8.772 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.520 6.131 -6.566 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.720 4.908 -6.221 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.352 4.879 -6.430 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.338 3.789 -5.690 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.613 3.755 -6.116 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.607 2.662 -5.373 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.241 2.644 -5.586 1.00 0.00 C ATOM 0 H PHE A 113 -4.760 8.043 -7.511 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.191 6.014 -8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.905 7.016 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.369 6.204 -5.886 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.857 5.745 -6.843 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.405 3.798 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.454 3.745 -6.284 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.101 1.795 -4.959 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.666 1.764 -5.339 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.249 5.148 -7.792 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.269 4.111 -7.945 1.00 0.00 C ATOM 1358 C LEU A 114 -7.571 3.863 -9.424 1.00 0.00 C ATOM 1359 O LEU A 114 -7.946 2.757 -9.808 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.547 4.502 -7.196 1.00 0.00 C ATOM 1361 CG LEU A 114 -9.396 3.330 -6.702 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -8.617 2.491 -5.697 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.690 3.840 -6.084 1.00 0.00 C ATOM 0 H LEU A 114 -6.578 5.997 -7.333 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.884 3.187 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.273 5.118 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.158 5.122 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.644 2.698 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.237 1.662 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.716 2.100 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.339 3.110 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.285 2.995 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.459 4.492 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.254 4.399 -6.831 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.415 4.902 -10.249 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.635 4.785 -11.689 1.00 0.00 C ATOM 1377 C GLU A 115 -6.486 4.014 -12.353 1.00 0.00 C ATOM 1378 O GLU A 115 -6.644 3.470 -13.447 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.763 6.172 -12.324 1.00 0.00 C ATOM 1380 CG GLU A 115 -9.049 6.895 -11.956 1.00 0.00 C ATOM 1381 CD GLU A 115 -9.061 8.338 -12.424 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -8.559 9.209 -11.682 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -9.574 8.599 -13.533 1.00 0.00 O ATOM 0 H GLU A 115 -7.137 5.834 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.563 4.235 -11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.913 6.782 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.710 6.072 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.896 6.368 -12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.181 6.867 -10.874 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.332 3.973 -11.677 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.152 3.275 -12.185 1.00 0.00 C ATOM 1392 C LEU A 116 -4.168 1.786 -11.818 1.00 0.00 C ATOM 1393 O LEU A 116 -3.670 0.953 -12.578 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.882 3.922 -11.625 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.650 5.377 -12.039 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.510 5.983 -11.236 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.360 5.472 -13.530 1.00 0.00 C ATOM 0 H LEU A 116 -5.193 4.419 -10.770 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.165 3.356 -13.272 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.919 3.873 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.023 3.330 -11.942 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.559 5.941 -11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.359 7.018 -11.543 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.756 5.952 -10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.597 5.414 -11.414 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.198 6.515 -13.803 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.467 4.892 -13.765 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.207 5.077 -14.091 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.740 1.458 -10.655 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.798 0.069 -10.193 1.00 0.00 C ATOM 1411 C ALA A 117 -6.228 -0.474 -10.173 1.00 0.00 C ATOM 1412 O ALA A 117 -7.185 0.281 -10.006 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.172 -0.055 -8.812 1.00 0.00 C ATOM 0 H ALA A 117 -5.167 2.132 -10.020 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.230 -0.532 -10.904 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.222 -1.092 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.130 0.262 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.715 0.576 -8.109 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.379 -1.804 -10.364 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.682 -2.487 -10.355 1.00 0.00 C ATOM 1421 C PRO A 118 -8.609 -2.050 -9.216 1.00 0.00 C ATOM 1422 O PRO A 118 -8.192 -1.393 -8.260 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.303 -3.954 -10.172 1.00 0.00 C ATOM 1424 CG PRO A 118 -5.948 -4.087 -10.773 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.277 -2.740 -10.657 1.00 0.00 C ATOM 0 HA PRO A 118 -8.242 -2.263 -11.263 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.294 -4.229 -9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -8.019 -4.610 -10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.370 -4.851 -10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.018 -4.394 -11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.530 -2.735 -9.863 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.763 -2.472 -11.580 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.873 -2.456 -9.332 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.910 -2.132 -8.350 1.00 0.00 C ATOM 1435 C ASP A 119 -10.633 -2.717 -6.960 1.00 0.00 C ATOM 1436 O ASP A 119 -11.136 -2.190 -5.965 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.266 -2.642 -8.844 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.721 -1.951 -10.116 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.390 -0.901 -10.015 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -12.406 -2.460 -11.213 1.00 0.00 O ATOM 0 H ASP A 119 -10.209 -3.021 -10.112 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.913 -1.047 -8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.204 -3.716 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -13.013 -2.490 -8.065 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.842 -3.795 -6.880 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.571 -4.408 -5.576 1.00 0.00 C ATOM 1447 C PHE A 120 -8.138 -4.157 -5.096 1.00 0.00 C ATOM 1448 O PHE A 120 -7.933 -3.743 -3.953 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.914 -5.906 -5.568 1.00 0.00 C ATOM 1450 CG PHE A 120 -9.104 -6.741 -6.524 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -9.381 -6.733 -7.881 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -8.070 -7.540 -6.060 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -8.643 -7.505 -8.757 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -7.328 -8.312 -6.931 1.00 0.00 C ATOM 1455 CZ PHE A 120 -7.615 -8.295 -8.282 1.00 0.00 C ATOM 0 H PHE A 120 -9.392 -4.248 -7.675 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.231 -3.916 -4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.772 -6.292 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.971 -6.024 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.183 -6.116 -8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -7.843 -7.558 -5.004 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.870 -7.491 -9.813 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -6.524 -8.928 -6.557 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.036 -8.899 -8.966 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.150 -4.406 -5.961 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.746 -4.194 -5.593 1.00 0.00 C ATOM 1467 C VAL A 121 -5.470 -2.718 -5.292 1.00 0.00 C ATOM 1468 O VAL A 121 -4.654 -2.399 -4.427 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.770 -4.677 -6.692 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.113 -6.086 -7.151 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.762 -3.719 -7.867 1.00 0.00 C ATOM 0 H VAL A 121 -7.293 -4.751 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.575 -4.789 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.769 -4.698 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.410 -6.398 -7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.050 -6.770 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.126 -6.101 -7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.068 -4.080 -8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.764 -3.656 -8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.448 -2.731 -7.529 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.155 -1.826 -6.017 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.981 -0.396 -5.814 1.00 0.00 C ATOM 1483 C GLY A 122 -6.233 0.030 -4.378 1.00 0.00 C ATOM 1484 O GLY A 122 -5.499 0.859 -3.837 1.00 0.00 O ATOM 0 H GLY A 122 -6.828 -2.073 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.968 -0.114 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.660 0.145 -6.473 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.272 -0.539 -3.758 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.614 -0.219 -2.372 1.00 0.00 C ATOM 1490 C ASP A 123 -6.471 -0.589 -1.428 1.00 0.00 C ATOM 1491 O ASP A 123 -6.110 0.189 -0.549 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.890 -0.955 -1.948 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.386 -0.519 -0.580 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -8.915 -1.082 0.432 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.244 0.385 -0.521 1.00 0.00 O ATOM 0 H ASP A 123 -7.889 -1.223 -4.196 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.785 0.856 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.671 -0.777 -2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.700 -2.028 -1.937 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.909 -1.782 -1.617 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.807 -2.259 -0.783 1.00 0.00 C ATOM 1502 C ILE A 124 -3.582 -1.355 -0.913 1.00 0.00 C ATOM 1503 O ILE A 124 -3.084 -0.823 0.080 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.397 -3.699 -1.160 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.593 -4.646 -1.046 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.252 -4.176 -0.278 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.303 -6.039 -1.551 1.00 0.00 C ATOM 0 H ILE A 124 -6.200 -2.437 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.166 -2.242 0.246 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.057 -3.699 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.904 -4.703 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.431 -4.231 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.976 -5.193 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.393 -3.518 -0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.566 -4.159 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.193 -6.659 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.020 -5.993 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.486 -6.472 -0.974 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.106 -1.193 -2.148 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.930 -0.371 -2.427 1.00 0.00 C ATOM 1521 C LEU A 125 -2.092 1.049 -1.884 1.00 0.00 C ATOM 1522 O LEU A 125 -1.277 1.492 -1.081 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.640 -0.334 -3.931 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.385 -1.695 -4.583 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.169 -1.537 -6.081 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.192 -2.385 -3.939 1.00 0.00 C ATOM 0 H LEU A 125 -3.520 -1.623 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.083 -0.829 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.483 0.139 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.770 0.300 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.264 -2.320 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.989 -2.515 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.055 -1.090 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.308 -0.893 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.028 -3.351 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.696 -1.765 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.388 -2.535 -2.877 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.142 1.757 -2.309 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.372 3.128 -1.845 1.00 0.00 C ATOM 1540 C TRP A 126 -3.576 3.176 -0.327 1.00 0.00 C ATOM 1541 O TRP A 126 -3.134 4.126 0.318 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.552 3.777 -2.590 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.393 4.676 -1.727 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -5.255 6.024 -1.564 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.492 4.282 -0.898 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -6.200 6.491 -0.683 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.972 5.440 -0.262 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -7.115 3.061 -0.634 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -8.048 5.411 0.624 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -8.181 3.032 0.244 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.639 4.200 0.864 1.00 0.00 C ATOM 0 H TRP A 126 -3.840 1.408 -2.967 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.478 3.708 -2.074 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -4.166 4.353 -3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.184 2.992 -3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.512 6.634 -2.056 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -6.309 7.462 -0.390 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.769 2.154 -1.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.402 6.311 1.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.669 2.092 0.456 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.475 4.145 1.545 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.231 2.167 0.246 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.445 2.137 1.693 1.00 0.00 C ATOM 1564 C GLU A 127 -3.104 2.226 2.424 1.00 0.00 C ATOM 1565 O GLU A 127 -2.899 3.112 3.256 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.199 0.872 2.106 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.538 0.822 3.587 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.595 -0.216 3.905 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -6.286 -1.423 3.829 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -7.735 0.178 4.229 1.00 0.00 O ATOM 0 H GLU A 127 -4.618 1.370 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.054 2.997 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.121 0.804 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.597 0.000 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.635 0.602 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.888 1.803 3.910 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.188 1.313 2.091 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.856 1.293 2.696 1.00 0.00 C ATOM 1579 C HIS A 128 -0.005 2.455 2.169 1.00 0.00 C ATOM 1580 O HIS A 128 0.863 2.970 2.877 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.165 -0.045 2.406 1.00 0.00 C ATOM 1582 CG HIS A 128 1.181 -0.198 3.053 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.134 -1.085 2.599 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.730 0.423 4.125 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.210 -1.002 3.360 1.00 0.00 C ATOM 1586 NE2 HIS A 128 2.991 -0.095 4.293 1.00 0.00 N ATOM 0 H HIS A 128 -2.346 0.576 1.403 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.964 1.408 3.774 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.812 -0.855 2.743 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -0.052 -0.156 1.328 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.263 1.183 4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.115 -1.578 3.239 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.651 0.177 5.021 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.267 2.864 0.924 1.00 0.00 N ATOM 1596 CA LEU A 129 0.461 3.963 0.291 1.00 0.00 C ATOM 1597 C LEU A 129 0.304 5.256 1.086 1.00 0.00 C ATOM 1598 O LEU A 129 1.292 5.926 1.389 1.00 0.00 O ATOM 1599 CB LEU A 129 -0.038 4.172 -1.142 1.00 0.00 C ATOM 1600 CG LEU A 129 0.709 5.236 -1.951 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.173 4.855 -2.119 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.047 5.428 -3.305 1.00 0.00 C ATOM 0 H LEU A 129 -0.984 2.445 0.332 1.00 0.00 H new ATOM 0 HA LEU A 129 1.518 3.698 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.029 3.223 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.093 4.443 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 129 0.665 6.179 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.685 5.624 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.641 4.766 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.243 3.901 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.588 6.187 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.063 4.487 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.985 5.748 -3.163 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.942 5.604 1.421 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.211 6.820 2.185 1.00 0.00 C ATOM 1616 C GLU A 130 -0.655 6.688 3.599 1.00 0.00 C ATOM 1617 O GLU A 130 -0.211 7.670 4.193 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.713 7.124 2.238 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.383 7.206 0.873 1.00 0.00 C ATOM 1620 CD GLU A 130 -2.592 8.018 -0.135 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -2.619 9.263 -0.048 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -1.948 7.406 -1.013 1.00 0.00 O ATOM 0 H GLU A 130 -1.772 5.064 1.176 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.715 7.649 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.208 6.352 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.863 8.069 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.526 6.198 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.373 7.647 0.988 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.691 5.461 4.132 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.172 5.187 5.468 1.00 0.00 C ATOM 1631 C ILE A 131 1.307 5.566 5.551 1.00 0.00 C ATOM 1632 O ILE A 131 1.758 6.116 6.555 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.361 3.700 5.850 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.840 3.412 6.122 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.491 3.335 7.059 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.154 1.939 6.279 1.00 0.00 C ATOM 0 H ILE A 131 -1.075 4.645 3.655 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.736 5.793 6.176 1.00 0.00 H new ATOM 0 HB ILE A 131 -0.032 3.084 5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.143 3.938 7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.436 3.816 5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.340 2.284 7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.542 3.506 6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.201 3.954 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.220 1.812 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.883 1.410 5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.585 1.533 7.116 1.00 0.00 H new ATOM 1648 N LEU A 132 2.053 5.265 4.484 1.00 0.00 N ATOM 1649 CA LEU A 132 3.473 5.600 4.412 1.00 0.00 C ATOM 1650 C LEU A 132 3.667 7.117 4.471 1.00 0.00 C ATOM 1651 O LEU A 132 4.603 7.609 5.105 1.00 0.00 O ATOM 1652 CB LEU A 132 4.086 5.045 3.120 1.00 0.00 C ATOM 1653 CG LEU A 132 4.197 3.518 3.054 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.671 3.078 1.677 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.140 3.002 4.132 1.00 0.00 C ATOM 0 H LEU A 132 1.693 4.788 3.657 1.00 0.00 H new ATOM 0 HA LEU A 132 3.977 5.147 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.486 5.387 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.082 5.471 2.997 1.00 0.00 H new ATOM 0 HG LEU A 132 3.209 3.094 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.744 1.991 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.960 3.414 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.649 3.513 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.205 1.916 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.130 3.434 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.761 3.286 5.114 1.00 0.00 H new ATOM 1667 N GLN A 133 2.770 7.849 3.800 1.00 0.00 N ATOM 1668 CA GLN A 133 2.815 9.312 3.777 1.00 0.00 C ATOM 1669 C GLN A 133 2.627 9.882 5.180 1.00 0.00 C ATOM 1670 O GLN A 133 3.416 10.712 5.635 1.00 0.00 O ATOM 1671 CB GLN A 133 1.729 9.859 2.845 1.00 0.00 C ATOM 1672 CG GLN A 133 1.858 9.370 1.412 1.00 0.00 C ATOM 1673 CD GLN A 133 0.709 9.809 0.525 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.076 10.839 0.768 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.440 9.035 -0.519 1.00 0.00 N ATOM 0 H GLN A 133 2.001 7.447 3.264 1.00 0.00 H new ATOM 0 HA GLN A 133 3.794 9.617 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.751 9.572 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.768 10.948 2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.794 9.739 0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.915 8.281 1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.989 8.191 -0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.316 9.284 -1.157 1.00 0.00 H new