USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=11 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 Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.9) USER MOD Single : A 61 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.49) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.11 K(o=-2.1,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.6) USER MOD Single : A 82 MET CE :methyl -165:sc= -1.76 (180deg=-2.64) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -34:sc= 0.441 USER MOD Single : A 100 MET CE :methyl -117:sc= -0.277 (180deg=-0.808) USER MOD Single : A 101 SER OG : rot 180:sc= -0.315 USER MOD Single : A 106 CYS SG : rot 73:sc= -2.65! USER MOD Single : A 110 LYS NZ :NH3+ 165:sc= -0.0421 (180deg=-0.307) USER MOD Single : A 112 CYS SG : rot 115:sc= 0.00532 USER MOD Single : A 128 HIS : no HD1:sc= -0.645 X(o=-0.65,f=-0.23) USER MOD Single : A 133 GLN : amide:sc= -0.058 K(o=-0.058,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.033 -6.835 7.264 1.00 0.00 N ATOM 414 CA GLY A 55 6.327 -7.366 5.942 1.00 0.00 C ATOM 415 C GLY A 55 6.930 -6.330 4.998 1.00 0.00 C ATOM 416 O GLY A 55 7.399 -6.679 3.915 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.017 -8.204 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.410 -7.758 5.503 1.00 0.00 H new ATOM 420 N PHE A 56 6.922 -5.061 5.412 1.00 0.00 N ATOM 421 CA PHE A 56 7.470 -3.983 4.594 1.00 0.00 C ATOM 422 C PHE A 56 8.857 -3.577 5.083 1.00 0.00 C ATOM 423 O PHE A 56 9.738 -3.277 4.285 1.00 0.00 O ATOM 424 CB PHE A 56 6.533 -2.771 4.586 1.00 0.00 C ATOM 425 CG PHE A 56 6.865 -1.768 3.515 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.145 -2.184 2.222 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.898 -0.412 3.799 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.451 -1.269 1.235 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.202 0.508 2.813 1.00 0.00 C ATOM 430 CZ PHE A 56 7.479 0.078 1.531 1.00 0.00 C ATOM 0 H PHE A 56 6.542 -4.757 6.309 1.00 0.00 H new ATOM 0 HA PHE A 56 7.561 -4.355 3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.508 -3.114 4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.576 -2.281 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.123 -3.237 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.684 -0.070 4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.668 -1.607 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.223 1.562 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.718 0.796 0.760 1.00 0.00 H new ATOM 440 N THR A 57 9.049 -3.567 6.401 1.00 0.00 N ATOM 441 CA THR A 57 10.340 -3.204 6.979 1.00 0.00 C ATOM 442 C THR A 57 11.421 -4.224 6.605 1.00 0.00 C ATOM 443 O THR A 57 12.609 -3.894 6.584 1.00 0.00 O ATOM 444 CB THR A 57 10.263 -3.077 8.514 1.00 0.00 C ATOM 445 OG1 THR A 57 9.229 -2.153 8.878 1.00 0.00 O ATOM 446 CG2 THR A 57 11.591 -2.604 9.087 1.00 0.00 C ATOM 0 H THR A 57 8.331 -3.805 7.085 1.00 0.00 H new ATOM 0 HA THR A 57 10.607 -2.232 6.564 1.00 0.00 H new ATOM 0 HB THR A 57 10.036 -4.061 8.925 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.185 -2.079 9.854 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.511 -2.522 10.171 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.372 -3.320 8.834 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.842 -1.630 8.667 1.00 0.00 H new ATOM 454 N LYS A 58 11.006 -5.457 6.301 1.00 0.00 N ATOM 455 CA LYS A 58 11.949 -6.507 5.923 1.00 0.00 C ATOM 456 C LYS A 58 12.467 -6.292 4.503 1.00 0.00 C ATOM 457 O LYS A 58 13.629 -6.574 4.213 1.00 0.00 O ATOM 458 CB LYS A 58 11.304 -7.896 6.050 1.00 0.00 C ATOM 459 CG LYS A 58 10.078 -8.104 5.169 1.00 0.00 C ATOM 460 CD LYS A 58 10.453 -8.700 3.820 1.00 0.00 C ATOM 461 CE LYS A 58 9.225 -8.978 2.969 1.00 0.00 C ATOM 462 NZ LYS A 58 9.581 -9.563 1.647 1.00 0.00 N ATOM 0 H LYS A 58 10.029 -5.749 6.310 1.00 0.00 H new ATOM 0 HA LYS A 58 12.795 -6.455 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.048 -8.653 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.021 -8.058 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.373 -8.763 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.571 -7.151 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.115 -8.015 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.008 -9.626 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.563 -9.661 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.672 -8.051 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.714 -9.737 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.192 -8.901 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.086 -10.461 1.789 1.00 0.00 H new ATOM 476 N GLU A 59 11.597 -5.802 3.619 1.00 0.00 N ATOM 477 CA GLU A 59 11.985 -5.541 2.239 1.00 0.00 C ATOM 478 C GLU A 59 12.658 -4.173 2.117 1.00 0.00 C ATOM 479 O GLU A 59 13.534 -3.983 1.275 1.00 0.00 O ATOM 480 CB GLU A 59 10.775 -5.643 1.299 1.00 0.00 C ATOM 481 CG GLU A 59 9.713 -4.581 1.524 1.00 0.00 C ATOM 482 CD GLU A 59 9.785 -3.448 0.519 1.00 0.00 C ATOM 483 OE1 GLU A 59 9.221 -3.596 -0.585 1.00 0.00 O ATOM 484 OE2 GLU A 59 10.402 -2.410 0.838 1.00 0.00 O ATOM 0 H GLU A 59 10.625 -5.580 3.835 1.00 0.00 H new ATOM 0 HA GLU A 59 12.705 -6.302 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.124 -5.577 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.319 -6.626 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.728 -5.044 1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.821 -4.175 2.530 1.00 0.00 H new ATOM 491 N GLN A 60 12.244 -3.220 2.961 1.00 0.00 N ATOM 492 CA GLN A 60 12.828 -1.877 2.954 1.00 0.00 C ATOM 493 C GLN A 60 14.322 -1.914 3.276 1.00 0.00 C ATOM 494 O GLN A 60 15.076 -1.050 2.831 1.00 0.00 O ATOM 495 CB GLN A 60 12.112 -0.974 3.960 1.00 0.00 C ATOM 496 CG GLN A 60 10.708 -0.580 3.540 1.00 0.00 C ATOM 497 CD GLN A 60 9.992 0.228 4.606 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.325 -0.329 5.478 1.00 0.00 O ATOM 499 NE2 GLN A 60 10.130 1.548 4.545 1.00 0.00 N ATOM 0 H GLN A 60 11.509 -3.355 3.655 1.00 0.00 H new ATOM 0 HA GLN A 60 12.701 -1.473 1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.063 -1.485 4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.704 -0.071 4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.757 0.001 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.132 -1.479 3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.692 1.968 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.674 2.141 5.238 1.00 0.00 H new ATOM 508 N GLN A 61 14.745 -2.909 4.060 1.00 0.00 N ATOM 509 CA GLN A 61 16.156 -3.048 4.425 1.00 0.00 C ATOM 510 C GLN A 61 16.928 -3.825 3.357 1.00 0.00 C ATOM 511 O GLN A 61 18.069 -3.487 3.040 1.00 0.00 O ATOM 512 CB GLN A 61 16.296 -3.738 5.786 1.00 0.00 C ATOM 513 CG GLN A 61 15.888 -5.205 5.778 1.00 0.00 C ATOM 514 CD GLN A 61 15.987 -5.854 7.147 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.809 -5.465 7.976 1.00 0.00 O ATOM 516 NE2 GLN A 61 15.150 -6.859 7.386 1.00 0.00 N ATOM 0 H GLN A 61 14.134 -3.626 4.452 1.00 0.00 H new ATOM 0 HA GLN A 61 16.582 -2.047 4.494 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.332 -3.661 6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.687 -3.206 6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.864 -5.290 5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.521 -5.749 5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.484 -7.149 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.174 -7.340 8.285 1.00 0.00 H new ATOM 525 N ARG A 62 16.298 -4.863 2.808 1.00 0.00 N ATOM 526 CA ARG A 62 16.920 -5.691 1.773 1.00 0.00 C ATOM 527 C ARG A 62 17.024 -4.940 0.443 1.00 0.00 C ATOM 528 O ARG A 62 17.970 -5.142 -0.319 1.00 0.00 O ATOM 529 CB ARG A 62 16.114 -6.977 1.571 1.00 0.00 C ATOM 530 CG ARG A 62 16.077 -7.878 2.796 1.00 0.00 C ATOM 531 CD ARG A 62 15.077 -9.011 2.625 1.00 0.00 C ATOM 532 NE ARG A 62 14.993 -9.856 3.817 1.00 0.00 N ATOM 533 CZ ARG A 62 14.010 -10.732 4.046 1.00 0.00 C ATOM 534 NH1 ARG A 62 13.016 -10.878 3.173 1.00 0.00 N ATOM 535 NH2 ARG A 62 14.020 -11.462 5.156 1.00 0.00 N ATOM 0 H ARG A 62 15.354 -5.152 3.063 1.00 0.00 H new ATOM 0 HA ARG A 62 17.927 -5.938 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.093 -6.715 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.539 -7.533 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.070 -8.291 2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.814 -7.289 3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.093 -8.596 2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.364 -9.621 1.768 1.00 0.00 H new ATOM 0 HE ARG A 62 15.731 -9.771 4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.000 -10.319 2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.270 -11.549 3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.777 -11.353 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.271 -12.131 5.333 1.00 0.00 H new ATOM 549 N LEU A 63 16.044 -4.076 0.175 1.00 0.00 N ATOM 550 CA LEU A 63 16.001 -3.297 -1.062 1.00 0.00 C ATOM 551 C LEU A 63 16.522 -1.874 -0.851 1.00 0.00 C ATOM 552 O LEU A 63 17.149 -1.301 -1.743 1.00 0.00 O ATOM 553 CB LEU A 63 14.560 -3.230 -1.579 1.00 0.00 C ATOM 554 CG LEU A 63 13.815 -4.568 -1.622 1.00 0.00 C ATOM 555 CD1 LEU A 63 12.316 -4.336 -1.715 1.00 0.00 C ATOM 556 CD2 LEU A 63 14.300 -5.414 -2.788 1.00 0.00 C ATOM 0 H LEU A 63 15.262 -3.897 0.805 1.00 0.00 H new ATOM 0 HA LEU A 63 16.643 -3.794 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.998 -2.540 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 63 14.572 -2.807 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 63 14.024 -5.109 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.800 -5.296 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.981 -3.771 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.090 -3.775 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.759 -6.360 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.123 -4.882 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.367 -5.608 -2.678 1.00 0.00 H new ATOM 568 N GLY A 64 16.260 -1.312 0.330 1.00 0.00 N ATOM 569 CA GLY A 64 16.688 0.048 0.627 1.00 0.00 C ATOM 570 C GLY A 64 15.551 1.058 0.511 1.00 0.00 C ATOM 571 O GLY A 64 15.733 2.237 0.817 1.00 0.00 O ATOM 0 H GLY A 64 15.758 -1.775 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.099 0.084 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.491 0.330 -0.055 1.00 0.00 H new ATOM 575 N ILE A 65 14.378 0.589 0.063 1.00 0.00 N ATOM 576 CA ILE A 65 13.199 1.442 -0.098 1.00 0.00 C ATOM 577 C ILE A 65 12.915 2.252 1.171 1.00 0.00 C ATOM 578 O ILE A 65 12.739 1.685 2.252 1.00 0.00 O ATOM 579 CB ILE A 65 11.945 0.609 -0.454 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.169 -0.164 -1.760 1.00 0.00 C ATOM 581 CG2 ILE A 65 10.722 1.509 -0.569 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.060 -1.140 -2.090 1.00 0.00 C ATOM 0 H ILE A 65 14.223 -0.385 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 65 13.420 2.127 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 65 11.769 -0.110 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.270 0.547 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.111 -0.708 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.849 0.906 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.552 2.015 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.888 2.250 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.289 -1.648 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.972 -1.875 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.118 -0.600 -2.191 1.00 0.00 H new ATOM 594 N PRO A 66 12.869 3.595 1.049 1.00 0.00 N ATOM 595 CA PRO A 66 12.606 4.496 2.182 1.00 0.00 C ATOM 596 C PRO A 66 11.203 4.319 2.764 1.00 0.00 C ATOM 597 O PRO A 66 10.372 3.602 2.202 1.00 0.00 O ATOM 598 CB PRO A 66 12.745 5.901 1.577 1.00 0.00 C ATOM 599 CG PRO A 66 13.459 5.711 0.283 1.00 0.00 C ATOM 600 CD PRO A 66 13.084 4.342 -0.202 1.00 0.00 C ATOM 0 HA PRO A 66 13.289 4.299 3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.768 6.360 1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.305 6.560 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.167 6.474 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.537 5.795 0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.185 4.364 -0.818 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.874 3.897 -0.807 1.00 0.00 H new ATOM 608 N LYS A 67 10.949 4.985 3.891 1.00 0.00 N ATOM 609 CA LYS A 67 9.647 4.913 4.554 1.00 0.00 C ATOM 610 C LYS A 67 8.725 6.052 4.099 1.00 0.00 C ATOM 611 O LYS A 67 7.523 6.028 4.374 1.00 0.00 O ATOM 612 CB LYS A 67 9.827 4.954 6.075 1.00 0.00 C ATOM 613 CG LYS A 67 8.564 4.616 6.852 1.00 0.00 C ATOM 614 CD LYS A 67 8.790 4.690 8.355 1.00 0.00 C ATOM 615 CE LYS A 67 9.794 3.648 8.827 1.00 0.00 C ATOM 616 NZ LYS A 67 9.988 3.690 10.303 1.00 0.00 N ATOM 0 H LYS A 67 11.629 5.581 4.364 1.00 0.00 H new ATOM 0 HA LYS A 67 9.178 3.970 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.614 4.255 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.165 5.949 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.768 5.305 6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.229 3.614 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.147 5.685 8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.842 4.543 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.451 2.656 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.750 3.814 8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.679 2.965 10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.339 4.629 10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.081 3.506 10.778 1.00 0.00 H new ATOM 630 N ASP A 68 9.289 7.048 3.402 1.00 0.00 N ATOM 631 CA ASP A 68 8.511 8.186 2.918 1.00 0.00 C ATOM 632 C ASP A 68 8.249 8.068 1.414 1.00 0.00 C ATOM 633 O ASP A 68 9.184 7.974 0.618 1.00 0.00 O ATOM 634 CB ASP A 68 9.236 9.501 3.229 1.00 0.00 C ATOM 635 CG ASP A 68 8.600 10.700 2.550 1.00 0.00 C ATOM 636 OD1 ASP A 68 7.411 10.974 2.813 1.00 0.00 O ATOM 637 OD2 ASP A 68 9.290 11.362 1.751 1.00 0.00 O ATOM 0 H ASP A 68 10.280 7.085 3.163 1.00 0.00 H new ATOM 0 HA ASP A 68 7.551 8.184 3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.242 9.661 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.276 9.420 2.913 1.00 0.00 H new ATOM 642 N PRO A 69 6.963 8.078 1.016 1.00 0.00 N ATOM 643 CA PRO A 69 6.559 7.977 -0.395 1.00 0.00 C ATOM 644 C PRO A 69 6.951 9.200 -1.229 1.00 0.00 C ATOM 645 O PRO A 69 7.102 9.093 -2.446 1.00 0.00 O ATOM 646 CB PRO A 69 5.035 7.843 -0.322 1.00 0.00 C ATOM 647 CG PRO A 69 4.659 8.458 0.979 1.00 0.00 C ATOM 648 CD PRO A 69 5.799 8.186 1.915 1.00 0.00 C ATOM 0 HA PRO A 69 7.056 7.142 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.553 8.355 -1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.727 6.798 -0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.492 9.530 0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.732 8.029 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.924 8.991 2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.643 7.268 2.482 1.00 0.00 H new ATOM 656 N ARG A 70 7.111 10.361 -0.584 1.00 0.00 N ATOM 657 CA ARG A 70 7.496 11.581 -1.299 1.00 0.00 C ATOM 658 C ARG A 70 8.947 11.504 -1.781 1.00 0.00 C ATOM 659 O ARG A 70 9.283 12.059 -2.829 1.00 0.00 O ATOM 660 CB ARG A 70 7.306 12.822 -0.421 1.00 0.00 C ATOM 661 CG ARG A 70 5.851 13.193 -0.179 1.00 0.00 C ATOM 662 CD ARG A 70 5.272 12.452 1.015 1.00 0.00 C ATOM 663 NE ARG A 70 3.927 12.918 1.349 1.00 0.00 N ATOM 664 CZ ARG A 70 3.406 12.884 2.578 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.109 12.395 3.598 1.00 0.00 N ATOM 666 NH2 ARG A 70 2.176 13.341 2.788 1.00 0.00 N ATOM 0 H ARG A 70 6.981 10.481 0.421 1.00 0.00 H new ATOM 0 HA ARG A 70 6.843 11.666 -2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.791 12.652 0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.812 13.666 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.772 14.267 -0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.264 12.964 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.243 11.384 0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.926 12.585 1.877 1.00 0.00 H new ATOM 0 HE ARG A 70 3.350 13.293 0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.054 12.042 3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.703 12.373 4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.632 13.717 2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.776 13.316 3.726 1.00 0.00 H new ATOM 680 N GLN A 71 9.801 10.814 -1.020 1.00 0.00 N ATOM 681 CA GLN A 71 11.209 10.664 -1.387 1.00 0.00 C ATOM 682 C GLN A 71 11.443 9.366 -2.173 1.00 0.00 C ATOM 683 O GLN A 71 12.555 8.833 -2.190 1.00 0.00 O ATOM 684 CB GLN A 71 12.101 10.702 -0.139 1.00 0.00 C ATOM 685 CG GLN A 71 11.989 9.468 0.746 1.00 0.00 C ATOM 686 CD GLN A 71 12.957 9.494 1.917 1.00 0.00 C ATOM 687 OE1 GLN A 71 14.018 10.114 1.848 1.00 0.00 O ATOM 688 NE2 GLN A 71 12.602 8.807 2.997 1.00 0.00 N ATOM 0 H GLN A 71 9.541 10.352 -0.148 1.00 0.00 H new ATOM 0 HA GLN A 71 11.476 11.502 -2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.139 10.818 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.845 11.582 0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.970 9.389 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.176 8.578 0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.713 8.306 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.218 8.780 3.810 1.00 0.00 H new ATOM 697 N TRP A 72 10.392 8.869 -2.829 1.00 0.00 N ATOM 698 CA TRP A 72 10.481 7.650 -3.627 1.00 0.00 C ATOM 699 C TRP A 72 10.674 7.997 -5.099 1.00 0.00 C ATOM 700 O TRP A 72 10.553 9.159 -5.490 1.00 0.00 O ATOM 701 CB TRP A 72 9.203 6.824 -3.475 1.00 0.00 C ATOM 702 CG TRP A 72 9.218 5.859 -2.331 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.089 5.828 -1.278 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.307 4.777 -2.131 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.770 4.789 -0.437 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.679 4.130 -0.939 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.209 4.294 -2.847 1.00 0.00 C ATOM 708 CZ2 TRP A 72 7.990 3.026 -0.450 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.527 3.198 -2.361 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.920 2.575 -1.172 1.00 0.00 C ATOM 0 H TRP A 72 9.466 9.297 -2.821 1.00 0.00 H new ATOM 0 HA TRP A 72 11.334 7.071 -3.273 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.360 7.503 -3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 72 9.032 6.270 -4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.907 6.518 -1.129 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.265 4.548 0.422 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.899 4.771 -3.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.289 2.542 0.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.677 2.815 -2.907 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.366 1.719 -0.816 1.00 0.00 H new ATOM 721 N THR A 73 10.977 6.989 -5.915 1.00 0.00 N ATOM 722 CA THR A 73 11.146 7.195 -7.350 1.00 0.00 C ATOM 723 C THR A 73 10.457 6.073 -8.121 1.00 0.00 C ATOM 724 O THR A 73 9.787 5.230 -7.523 1.00 0.00 O ATOM 725 CB THR A 73 12.636 7.267 -7.750 1.00 0.00 C ATOM 726 OG1 THR A 73 13.261 5.987 -7.574 1.00 0.00 O ATOM 727 CG2 THR A 73 13.371 8.308 -6.921 1.00 0.00 C ATOM 0 H THR A 73 11.110 6.026 -5.607 1.00 0.00 H new ATOM 0 HA THR A 73 10.688 8.151 -7.602 1.00 0.00 H new ATOM 0 HB THR A 73 12.688 7.554 -8.800 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.204 6.045 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.418 8.339 -7.222 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.918 9.286 -7.081 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.304 8.046 -5.865 1.00 0.00 H new ATOM 735 N GLU A 74 10.615 6.056 -9.444 1.00 0.00 N ATOM 736 CA GLU A 74 9.995 5.020 -10.271 1.00 0.00 C ATOM 737 C GLU A 74 10.359 3.623 -9.770 1.00 0.00 C ATOM 738 O GLU A 74 9.532 2.711 -9.807 1.00 0.00 O ATOM 739 CB GLU A 74 10.411 5.179 -11.736 1.00 0.00 C ATOM 740 CG GLU A 74 9.996 6.510 -12.343 1.00 0.00 C ATOM 741 CD GLU A 74 10.270 6.588 -13.832 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.418 6.907 -14.209 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.337 6.331 -14.621 1.00 0.00 O ATOM 0 H GLU A 74 11.163 6.742 -9.964 1.00 0.00 H new ATOM 0 HA GLU A 74 8.914 5.139 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.494 5.076 -11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.972 4.370 -12.320 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.932 6.669 -12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.528 7.316 -11.838 1.00 0.00 H new ATOM 750 N THR A 75 11.598 3.460 -9.298 1.00 0.00 N ATOM 751 CA THR A 75 12.061 2.172 -8.788 1.00 0.00 C ATOM 752 C THR A 75 11.346 1.798 -7.489 1.00 0.00 C ATOM 753 O THR A 75 10.793 0.707 -7.377 1.00 0.00 O ATOM 754 CB THR A 75 13.586 2.171 -8.549 1.00 0.00 C ATOM 755 OG1 THR A 75 14.274 2.548 -9.749 1.00 0.00 O ATOM 756 CG2 THR A 75 14.064 0.797 -8.096 1.00 0.00 C ATOM 0 H THR A 75 12.295 4.204 -9.260 1.00 0.00 H new ATOM 0 HA THR A 75 11.824 1.431 -9.551 1.00 0.00 H new ATOM 0 HB THR A 75 13.806 2.893 -7.763 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.240 2.546 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.142 0.822 -7.934 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.564 0.526 -7.166 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.829 0.059 -8.863 1.00 0.00 H new ATOM 764 N HIS A 76 11.367 2.708 -6.510 1.00 0.00 N ATOM 765 CA HIS A 76 10.714 2.463 -5.219 1.00 0.00 C ATOM 766 C HIS A 76 9.212 2.240 -5.395 1.00 0.00 C ATOM 767 O HIS A 76 8.623 1.386 -4.735 1.00 0.00 O ATOM 768 CB HIS A 76 10.957 3.627 -4.253 1.00 0.00 C ATOM 769 CG HIS A 76 12.400 3.823 -3.892 1.00 0.00 C ATOM 770 ND1 HIS A 76 13.028 5.050 -3.936 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.336 2.939 -3.474 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.287 4.912 -3.562 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.498 3.641 -3.275 1.00 0.00 N ATOM 0 H HIS A 76 11.826 3.616 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 76 11.153 1.559 -4.797 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.576 4.545 -4.702 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.384 3.456 -3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.195 1.879 -3.325 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.019 5.704 -3.501 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.382 3.245 -2.957 1.00 0.00 H new ATOM 782 N VAL A 77 8.602 3.018 -6.291 1.00 0.00 N ATOM 783 CA VAL A 77 7.173 2.911 -6.576 1.00 0.00 C ATOM 784 C VAL A 77 6.835 1.557 -7.202 1.00 0.00 C ATOM 785 O VAL A 77 5.949 0.846 -6.726 1.00 0.00 O ATOM 786 CB VAL A 77 6.718 4.038 -7.534 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.299 3.791 -8.033 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.814 5.389 -6.839 1.00 0.00 C ATOM 0 H VAL A 77 9.082 3.735 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 77 6.646 3.006 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 77 7.381 4.041 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.004 4.597 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.261 2.842 -8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.616 3.757 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.491 6.174 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.174 5.391 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.846 5.571 -6.539 1.00 0.00 H new ATOM 798 N ARG A 78 7.559 1.215 -8.272 1.00 0.00 N ATOM 799 CA ARG A 78 7.352 -0.041 -8.992 1.00 0.00 C ATOM 800 C ARG A 78 7.750 -1.245 -8.138 1.00 0.00 C ATOM 801 O ARG A 78 6.999 -2.219 -8.050 1.00 0.00 O ATOM 802 CB ARG A 78 8.146 -0.031 -10.305 1.00 0.00 C ATOM 803 CG ARG A 78 7.772 -1.147 -11.268 1.00 0.00 C ATOM 804 CD ARG A 78 8.447 -2.461 -10.902 1.00 0.00 C ATOM 805 NE ARG A 78 8.190 -3.505 -11.894 1.00 0.00 N ATOM 806 CZ ARG A 78 8.541 -4.784 -11.741 1.00 0.00 C ATOM 807 NH1 ARG A 78 9.153 -5.190 -10.631 1.00 0.00 N ATOM 808 NH2 ARG A 78 8.278 -5.662 -12.704 1.00 0.00 N ATOM 0 H ARG A 78 8.300 1.798 -8.660 1.00 0.00 H new ATOM 0 HA ARG A 78 6.289 -0.131 -9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.994 0.928 -10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.209 -0.106 -10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.690 -1.281 -11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.056 -0.863 -12.281 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.522 -2.303 -10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.090 -2.792 -9.927 1.00 0.00 H new ATOM 0 HE ARG A 78 7.713 -3.239 -12.756 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.358 -4.522 -9.888 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.417 -6.169 -10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.809 -5.358 -13.557 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.545 -6.640 -12.590 1.00 0.00 H new ATOM 822 N ASP A 79 8.928 -1.189 -7.518 1.00 0.00 N ATOM 823 CA ASP A 79 9.388 -2.288 -6.676 1.00 0.00 C ATOM 824 C ASP A 79 8.431 -2.506 -5.501 1.00 0.00 C ATOM 825 O ASP A 79 8.219 -3.642 -5.072 1.00 0.00 O ATOM 826 CB ASP A 79 10.809 -2.027 -6.165 1.00 0.00 C ATOM 827 CG ASP A 79 11.465 -3.277 -5.607 1.00 0.00 C ATOM 828 OD1 ASP A 79 11.088 -3.701 -4.496 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.355 -3.833 -6.284 1.00 0.00 O ATOM 0 H ASP A 79 9.574 -0.402 -7.583 1.00 0.00 H new ATOM 0 HA ASP A 79 9.403 -3.193 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.418 -1.634 -6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.778 -1.260 -5.391 1.00 0.00 H new ATOM 834 N TRP A 80 7.853 -1.413 -4.988 1.00 0.00 N ATOM 835 CA TRP A 80 6.913 -1.507 -3.875 1.00 0.00 C ATOM 836 C TRP A 80 5.645 -2.229 -4.330 1.00 0.00 C ATOM 837 O TRP A 80 5.331 -3.307 -3.829 1.00 0.00 O ATOM 838 CB TRP A 80 6.581 -0.120 -3.306 1.00 0.00 C ATOM 839 CG TRP A 80 5.315 -0.092 -2.498 1.00 0.00 C ATOM 840 CD1 TRP A 80 5.106 -0.671 -1.280 1.00 0.00 C ATOM 841 CD2 TRP A 80 4.084 0.543 -2.860 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.818 -0.437 -0.863 1.00 0.00 N ATOM 843 CE2 TRP A 80 3.171 0.307 -1.815 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.666 1.289 -3.964 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.865 0.789 -1.846 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.369 1.768 -3.992 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.483 1.516 -2.939 1.00 0.00 C ATOM 0 H TRP A 80 8.020 -0.465 -5.325 1.00 0.00 H new ATOM 0 HA TRP A 80 7.379 -2.082 -3.075 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.409 0.216 -2.681 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.494 0.590 -4.128 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.845 -1.231 -0.725 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.410 -0.764 0.013 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.343 1.488 -4.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 1.178 0.595 -1.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.035 2.346 -4.841 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.476 1.904 -2.991 1.00 0.00 H new ATOM 858 N VAL A 81 4.906 -1.608 -5.260 1.00 0.00 N ATOM 859 CA VAL A 81 3.689 -2.209 -5.811 1.00 0.00 C ATOM 860 C VAL A 81 3.895 -3.699 -6.108 1.00 0.00 C ATOM 861 O VAL A 81 3.050 -4.525 -5.765 1.00 0.00 O ATOM 862 CB VAL A 81 3.218 -1.470 -7.091 1.00 0.00 C ATOM 863 CG1 VAL A 81 4.294 -1.463 -8.165 1.00 0.00 C ATOM 864 CG2 VAL A 81 1.930 -2.082 -7.625 1.00 0.00 C ATOM 0 H VAL A 81 5.132 -0.691 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 81 2.911 -2.109 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 81 3.022 -0.434 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.926 -0.936 -9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.183 -0.959 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.546 -2.489 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.618 -1.548 -8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.099 -3.131 -7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.150 -2.005 -6.868 1.00 0.00 H new ATOM 874 N MET A 82 5.028 -4.035 -6.736 1.00 0.00 N ATOM 875 CA MET A 82 5.360 -5.427 -7.052 1.00 0.00 C ATOM 876 C MET A 82 5.404 -6.265 -5.775 1.00 0.00 C ATOM 877 O MET A 82 4.825 -7.350 -5.710 1.00 0.00 O ATOM 878 CB MET A 82 6.710 -5.502 -7.778 1.00 0.00 C ATOM 879 CG MET A 82 7.218 -6.922 -7.991 1.00 0.00 C ATOM 880 SD MET A 82 6.106 -7.923 -9.000 1.00 0.00 S ATOM 881 CE MET A 82 6.355 -7.186 -10.613 1.00 0.00 C ATOM 0 H MET A 82 5.731 -3.359 -7.035 1.00 0.00 H new ATOM 0 HA MET A 82 4.587 -5.827 -7.708 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.618 -5.010 -8.746 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.451 -4.944 -7.206 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.198 -6.884 -8.468 1.00 0.00 H new ATOM 0 HG3 MET A 82 7.353 -7.403 -7.022 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.558 -7.504 -11.285 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.341 -6.100 -10.523 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.317 -7.505 -11.014 1.00 0.00 H new ATOM 891 N TRP A 83 6.106 -5.747 -4.765 1.00 0.00 N ATOM 892 CA TRP A 83 6.222 -6.414 -3.471 1.00 0.00 C ATOM 893 C TRP A 83 4.839 -6.619 -2.843 1.00 0.00 C ATOM 894 O TRP A 83 4.573 -7.659 -2.240 1.00 0.00 O ATOM 895 CB TRP A 83 7.127 -5.591 -2.540 1.00 0.00 C ATOM 896 CG TRP A 83 6.896 -5.844 -1.080 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.487 -6.802 -0.309 1.00 0.00 C ATOM 898 CD2 TRP A 83 6.007 -5.124 -0.218 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.018 -6.723 0.980 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.109 -5.700 1.060 1.00 0.00 C ATOM 901 CE3 TRP A 83 5.135 -4.048 -0.404 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.371 -5.236 2.146 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.404 -3.588 0.674 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.526 -4.183 1.936 1.00 0.00 C ATOM 0 H TRP A 83 6.606 -4.860 -4.822 1.00 0.00 H new ATOM 0 HA TRP A 83 6.672 -7.396 -3.619 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.168 -5.811 -2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.971 -4.531 -2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.216 -7.517 -0.660 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.300 -7.327 1.752 1.00 0.00 H new ATOM 0 HE3 TRP A 83 5.034 -3.584 -1.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.463 -5.693 3.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.728 -2.756 0.542 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.940 -3.802 2.760 1.00 0.00 H new ATOM 915 N ALA A 84 3.961 -5.623 -2.999 1.00 0.00 N ATOM 916 CA ALA A 84 2.606 -5.695 -2.451 1.00 0.00 C ATOM 917 C ALA A 84 1.751 -6.716 -3.210 1.00 0.00 C ATOM 918 O ALA A 84 0.747 -7.205 -2.689 1.00 0.00 O ATOM 919 CB ALA A 84 1.950 -4.323 -2.479 1.00 0.00 C ATOM 0 H ALA A 84 4.166 -4.759 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 84 2.680 -6.027 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.943 -4.393 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.538 -3.626 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.898 -3.965 -3.507 1.00 0.00 H new ATOM 925 N VAL A 85 2.162 -7.038 -4.440 1.00 0.00 N ATOM 926 CA VAL A 85 1.450 -8.006 -5.270 1.00 0.00 C ATOM 927 C VAL A 85 1.852 -9.433 -4.892 1.00 0.00 C ATOM 928 O VAL A 85 1.047 -10.360 -4.982 1.00 0.00 O ATOM 929 CB VAL A 85 1.733 -7.774 -6.773 1.00 0.00 C ATOM 930 CG1 VAL A 85 1.168 -8.908 -7.616 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.156 -6.441 -7.222 1.00 0.00 C ATOM 0 H VAL A 85 2.990 -6.638 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 85 0.383 -7.869 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 85 2.814 -7.753 -6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.381 -8.720 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.628 -9.849 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.090 -8.968 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.364 -6.293 -8.282 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.078 -6.438 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.612 -5.635 -6.647 1.00 0.00 H new ATOM 941 N ASN A 86 3.109 -9.598 -4.470 1.00 0.00 N ATOM 942 CA ASN A 86 3.631 -10.904 -4.072 1.00 0.00 C ATOM 943 C ASN A 86 3.237 -11.239 -2.632 1.00 0.00 C ATOM 944 O ASN A 86 2.949 -12.395 -2.315 1.00 0.00 O ATOM 945 CB ASN A 86 5.156 -10.930 -4.215 1.00 0.00 C ATOM 946 CG ASN A 86 5.619 -10.603 -5.626 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.940 -10.918 -6.604 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.779 -9.965 -5.737 1.00 0.00 N ATOM 0 H ASN A 86 3.785 -8.838 -4.396 1.00 0.00 H new ATOM 0 HA ASN A 86 3.195 -11.656 -4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.594 -10.215 -3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.526 -11.916 -3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.139 -9.717 -6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.310 -9.723 -4.900 1.00 0.00 H new ATOM 955 N GLU A 87 3.224 -10.222 -1.765 1.00 0.00 N ATOM 956 CA GLU A 87 2.865 -10.408 -0.358 1.00 0.00 C ATOM 957 C GLU A 87 1.364 -10.649 -0.196 1.00 0.00 C ATOM 958 O GLU A 87 0.947 -11.462 0.632 1.00 0.00 O ATOM 959 CB GLU A 87 3.283 -9.186 0.467 1.00 0.00 C ATOM 960 CG GLU A 87 4.783 -8.931 0.481 1.00 0.00 C ATOM 961 CD GLU A 87 5.554 -9.968 1.276 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.881 -11.031 0.707 1.00 0.00 O ATOM 963 OE2 GLU A 87 5.834 -9.715 2.467 1.00 0.00 O ATOM 0 H GLU A 87 3.458 -9.261 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 87 3.397 -11.287 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.779 -8.304 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.938 -9.318 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.153 -8.918 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.974 -7.944 0.901 1.00 0.00 H new ATOM 970 N PHE A 88 0.556 -9.941 -0.991 1.00 0.00 N ATOM 971 CA PHE A 88 -0.898 -10.080 -0.932 1.00 0.00 C ATOM 972 C PHE A 88 -1.443 -10.929 -2.088 1.00 0.00 C ATOM 973 O PHE A 88 -2.660 -11.055 -2.240 1.00 0.00 O ATOM 974 CB PHE A 88 -1.563 -8.699 -0.959 1.00 0.00 C ATOM 975 CG PHE A 88 -1.371 -7.903 0.301 1.00 0.00 C ATOM 976 CD1 PHE A 88 -0.253 -7.099 0.468 1.00 0.00 C ATOM 977 CD2 PHE A 88 -2.313 -7.953 1.316 1.00 0.00 C ATOM 978 CE1 PHE A 88 -0.081 -6.361 1.623 1.00 0.00 C ATOM 979 CE2 PHE A 88 -2.146 -7.218 2.473 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.029 -6.422 2.627 1.00 0.00 C ATOM 0 H PHE A 88 0.886 -9.267 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.135 -10.589 0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.164 -8.131 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.631 -8.825 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.491 -7.049 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.189 -8.575 1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.793 -5.737 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.888 -7.266 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.896 -5.847 3.532 1.00 0.00 H new ATOM 990 N SER A 89 -0.545 -11.521 -2.891 1.00 0.00 N ATOM 991 CA SER A 89 -0.946 -12.340 -4.039 1.00 0.00 C ATOM 992 C SER A 89 -2.055 -11.650 -4.837 1.00 0.00 C ATOM 993 O SER A 89 -3.132 -12.213 -5.049 1.00 0.00 O ATOM 994 CB SER A 89 -1.404 -13.727 -3.574 1.00 0.00 C ATOM 995 OG SER A 89 -0.372 -14.396 -2.868 1.00 0.00 O ATOM 0 H SER A 89 0.464 -11.446 -2.764 1.00 0.00 H new ATOM 0 HA SER A 89 -0.081 -12.461 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.281 -13.628 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.704 -14.322 -4.436 1.00 0.00 H new ATOM 0 HG SER A 89 -0.690 -15.277 -2.581 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.778 -10.423 -5.281 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.751 -9.644 -6.041 1.00 0.00 C ATOM 1003 C LEU A 90 -2.699 -9.986 -7.530 1.00 0.00 C ATOM 1004 O LEU A 90 -1.817 -10.723 -7.977 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.506 -8.147 -5.831 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.542 -7.681 -4.371 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.308 -6.180 -4.281 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -3.867 -8.056 -3.723 1.00 0.00 C ATOM 0 H LEU A 90 -0.888 -9.949 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.746 -9.899 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.535 -7.891 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.256 -7.590 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.741 -8.185 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.337 -5.869 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.333 -5.938 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.086 -5.657 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.874 -7.717 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.685 -7.581 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.993 -9.138 -3.752 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.647 -9.441 -8.292 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.713 -9.693 -9.732 1.00 0.00 C ATOM 1022 C LYS A 91 -4.459 -8.573 -10.459 1.00 0.00 C ATOM 1023 O LYS A 91 -5.305 -7.892 -9.876 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.389 -11.045 -10.011 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.902 -11.049 -9.817 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.292 -10.815 -8.364 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.796 -10.914 -8.168 1.00 0.00 C ATOM 1028 NZ LYS A 91 -8.196 -10.604 -6.768 1.00 0.00 N ATOM 0 H LYS A 91 -4.378 -8.824 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.691 -9.722 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.166 -11.343 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.950 -11.798 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.349 -10.276 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.308 -12.004 -10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.792 -11.547 -7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.947 -9.831 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.297 -10.226 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.130 -11.919 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.229 -10.683 -6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.739 -11.276 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.900 -9.636 -6.529 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.130 -8.390 -11.740 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.773 -7.360 -12.542 1.00 0.00 C ATOM 1044 C GLY A 92 -4.125 -5.987 -12.415 1.00 0.00 C ATOM 1045 O GLY A 92 -4.493 -5.063 -13.142 1.00 0.00 O ATOM 0 H GLY A 92 -3.428 -8.939 -12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.756 -7.664 -13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.820 -7.286 -12.249 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.163 -5.842 -11.495 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.482 -4.565 -11.296 1.00 0.00 C ATOM 1051 C VAL A 93 -1.433 -4.326 -12.380 1.00 0.00 C ATOM 1052 O VAL A 93 -0.635 -5.213 -12.693 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.816 -4.482 -9.903 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.665 -5.472 -9.783 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.339 -3.064 -9.616 1.00 0.00 C ATOM 0 H VAL A 93 -2.843 -6.591 -10.882 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.244 -3.788 -11.360 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.566 -4.749 -9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.217 -5.390 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.040 -6.485 -9.929 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.086 -5.250 -10.541 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.874 -3.029 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.612 -2.765 -10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.189 -2.382 -9.640 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.447 -3.125 -12.953 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.498 -2.766 -14.002 1.00 0.00 C ATOM 1067 C ASP A 94 0.614 -1.880 -13.445 1.00 0.00 C ATOM 1068 O ASP A 94 0.355 -0.950 -12.675 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.221 -2.055 -15.150 1.00 0.00 C ATOM 1070 CG ASP A 94 -0.345 -1.899 -16.379 1.00 0.00 C ATOM 1071 OD1 ASP A 94 0.009 -2.928 -16.993 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -0.018 -0.749 -16.729 1.00 0.00 O ATOM 0 H ASP A 94 -2.105 -2.385 -12.708 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.046 -3.681 -14.385 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.117 -2.617 -15.415 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.550 -1.071 -14.815 1.00 0.00 H new ATOM 1077 N PHE A 95 1.850 -2.172 -13.844 1.00 0.00 N ATOM 1078 CA PHE A 95 3.012 -1.414 -13.381 1.00 0.00 C ATOM 1079 C PHE A 95 3.301 -0.219 -14.294 1.00 0.00 C ATOM 1080 O PHE A 95 3.929 0.751 -13.863 1.00 0.00 O ATOM 1081 CB PHE A 95 4.237 -2.327 -13.273 1.00 0.00 C ATOM 1082 CG PHE A 95 4.017 -3.499 -12.356 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.241 -3.382 -10.993 1.00 0.00 C ATOM 1084 CD2 PHE A 95 3.576 -4.715 -12.855 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.030 -4.454 -10.147 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.362 -5.789 -12.013 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.589 -5.659 -10.657 1.00 0.00 C ATOM 0 H PHE A 95 2.074 -2.930 -14.489 1.00 0.00 H new ATOM 0 HA PHE A 95 2.784 -1.021 -12.390 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.499 -2.693 -14.266 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.086 -1.746 -12.914 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.585 -2.442 -10.587 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.398 -4.824 -13.915 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.210 -4.349 -9.087 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.017 -6.730 -12.415 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.422 -6.498 -9.997 1.00 0.00 H new ATOM 1097 N GLN A 96 2.849 -0.286 -15.550 1.00 0.00 N ATOM 1098 CA GLN A 96 3.038 0.821 -16.491 1.00 0.00 C ATOM 1099 C GLN A 96 2.283 2.057 -15.994 1.00 0.00 C ATOM 1100 O GLN A 96 2.705 3.190 -16.229 1.00 0.00 O ATOM 1101 CB GLN A 96 2.552 0.440 -17.896 1.00 0.00 C ATOM 1102 CG GLN A 96 3.134 -0.868 -18.417 1.00 0.00 C ATOM 1103 CD GLN A 96 2.546 -1.281 -19.755 1.00 0.00 C ATOM 1104 OE1 GLN A 96 2.171 -0.436 -20.570 1.00 0.00 O ATOM 1105 NE2 GLN A 96 2.460 -2.587 -19.989 1.00 0.00 N ATOM 0 H GLN A 96 2.353 -1.089 -15.936 1.00 0.00 H new ATOM 0 HA GLN A 96 4.103 1.044 -16.549 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.465 0.364 -17.885 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.809 1.242 -18.588 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.215 -0.766 -18.516 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.954 -1.657 -17.687 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.782 -3.253 -19.287 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.072 -2.923 -20.871 1.00 0.00 H new ATOM 1114 N LYS A 97 1.163 1.820 -15.302 1.00 0.00 N ATOM 1115 CA LYS A 97 0.344 2.892 -14.736 1.00 0.00 C ATOM 1116 C LYS A 97 1.082 3.599 -13.599 1.00 0.00 C ATOM 1117 O LYS A 97 0.948 4.812 -13.423 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.977 2.323 -14.205 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.798 1.583 -15.251 1.00 0.00 C ATOM 1120 CD LYS A 97 -2.083 2.454 -16.464 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.919 1.713 -17.497 1.00 0.00 C ATOM 1122 NZ LYS A 97 -3.173 2.544 -18.708 1.00 0.00 N ATOM 0 H LYS A 97 0.802 0.883 -15.120 1.00 0.00 H new ATOM 0 HA LYS A 97 0.140 3.614 -15.527 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.762 1.644 -13.380 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.575 3.139 -13.799 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.264 0.686 -15.565 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.739 1.255 -14.809 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.607 3.357 -16.150 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.143 2.771 -16.915 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.407 0.796 -17.787 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.870 1.420 -17.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.746 2.003 -19.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.684 3.408 -18.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.267 2.802 -19.148 1.00 0.00 H new ATOM 1136 N PHE A 98 1.861 2.834 -12.828 1.00 0.00 N ATOM 1137 CA PHE A 98 2.618 3.385 -11.706 1.00 0.00 C ATOM 1138 C PHE A 98 4.086 3.612 -12.082 1.00 0.00 C ATOM 1139 O PHE A 98 4.982 3.456 -11.248 1.00 0.00 O ATOM 1140 CB PHE A 98 2.521 2.451 -10.494 1.00 0.00 C ATOM 1141 CG PHE A 98 1.113 2.221 -10.018 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.288 3.292 -9.709 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.614 0.936 -9.883 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -1.006 3.085 -9.275 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.680 0.722 -9.451 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.492 1.799 -9.145 1.00 0.00 C ATOM 0 H PHE A 98 1.982 1.830 -12.963 1.00 0.00 H new ATOM 0 HA PHE A 98 2.184 4.351 -11.449 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.970 1.491 -10.750 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.108 2.870 -9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.662 4.300 -9.809 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.244 0.091 -10.118 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.638 3.928 -9.037 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.057 -0.285 -9.352 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.504 1.635 -8.805 1.00 0.00 H new ATOM 1156 N CYS A 99 4.326 3.987 -13.340 1.00 0.00 N ATOM 1157 CA CYS A 99 5.680 4.241 -13.824 1.00 0.00 C ATOM 1158 C CYS A 99 6.050 5.712 -13.618 1.00 0.00 C ATOM 1159 O CYS A 99 6.184 6.474 -14.578 1.00 0.00 O ATOM 1160 CB CYS A 99 5.790 3.861 -15.306 1.00 0.00 C ATOM 1161 SG CYS A 99 7.472 3.925 -15.965 1.00 0.00 S ATOM 0 H CYS A 99 3.598 4.121 -14.041 1.00 0.00 H new ATOM 0 HA CYS A 99 6.378 3.627 -13.255 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.397 2.853 -15.441 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.158 4.531 -15.889 1.00 0.00 H new ATOM 0 HG CYS A 99 8.127 4.889 -15.390 1.00 0.00 H new ATOM 1167 N MET A 100 6.211 6.103 -12.353 1.00 0.00 N ATOM 1168 CA MET A 100 6.557 7.482 -12.009 1.00 0.00 C ATOM 1169 C MET A 100 7.205 7.562 -10.627 1.00 0.00 C ATOM 1170 O MET A 100 7.226 6.583 -9.879 1.00 0.00 O ATOM 1171 CB MET A 100 5.308 8.369 -12.053 1.00 0.00 C ATOM 1172 CG MET A 100 4.350 8.135 -10.893 1.00 0.00 C ATOM 1173 SD MET A 100 2.719 8.843 -11.183 1.00 0.00 S ATOM 1174 CE MET A 100 2.056 7.688 -12.380 1.00 0.00 C ATOM 0 H MET A 100 6.107 5.483 -11.549 1.00 0.00 H new ATOM 0 HA MET A 100 7.278 7.840 -12.744 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.616 9.415 -12.053 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.780 8.192 -12.990 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.251 7.063 -10.720 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.773 8.567 -9.986 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.866 8.207 -13.320 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.774 6.885 -12.547 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.124 7.268 -12.003 1.00 0.00 H new ATOM 1184 N SER A 101 7.728 8.743 -10.297 1.00 0.00 N ATOM 1185 CA SER A 101 8.383 8.965 -9.009 1.00 0.00 C ATOM 1186 C SER A 101 7.364 9.009 -7.868 1.00 0.00 C ATOM 1187 O SER A 101 6.170 9.221 -8.094 1.00 0.00 O ATOM 1188 CB SER A 101 9.191 10.265 -9.041 1.00 0.00 C ATOM 1189 OG SER A 101 9.970 10.417 -7.867 1.00 0.00 O ATOM 0 H SER A 101 7.710 9.562 -10.905 1.00 0.00 H new ATOM 0 HA SER A 101 9.058 8.129 -8.829 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.842 10.269 -9.915 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.515 11.114 -9.143 1.00 0.00 H new ATOM 0 HG SER A 101 10.476 11.255 -7.916 1.00 0.00 H new ATOM 1195 N GLY A 102 7.850 8.802 -6.645 1.00 0.00 N ATOM 1196 CA GLY A 102 6.987 8.816 -5.474 1.00 0.00 C ATOM 1197 C GLY A 102 6.224 10.119 -5.327 1.00 0.00 C ATOM 1198 O GLY A 102 5.011 10.109 -5.112 1.00 0.00 O ATOM 0 H GLY A 102 8.834 8.624 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.279 7.990 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.590 8.649 -4.581 1.00 0.00 H new ATOM 1202 N ALA A 103 6.940 11.242 -5.439 1.00 0.00 N ATOM 1203 CA ALA A 103 6.325 12.566 -5.334 1.00 0.00 C ATOM 1204 C ALA A 103 5.124 12.694 -6.274 1.00 0.00 C ATOM 1205 O ALA A 103 4.118 13.316 -5.927 1.00 0.00 O ATOM 1206 CB ALA A 103 7.351 13.648 -5.640 1.00 0.00 C ATOM 0 H ALA A 103 7.947 11.259 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 103 5.968 12.693 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.881 14.628 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.174 13.580 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.733 13.512 -6.652 1.00 0.00 H new ATOM 1212 N ALA A 104 5.240 12.097 -7.464 1.00 0.00 N ATOM 1213 CA ALA A 104 4.164 12.126 -8.452 1.00 0.00 C ATOM 1214 C ALA A 104 2.990 11.262 -8.001 1.00 0.00 C ATOM 1215 O ALA A 104 1.834 11.678 -8.083 1.00 0.00 O ATOM 1216 CB ALA A 104 4.675 11.651 -9.805 1.00 0.00 C ATOM 0 H ALA A 104 6.071 11.588 -7.764 1.00 0.00 H new ATOM 0 HA ALA A 104 3.817 13.155 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.862 11.678 -10.531 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.482 12.304 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.048 10.631 -9.715 1.00 0.00 H new ATOM 1222 N LEU A 105 3.306 10.054 -7.527 1.00 0.00 N ATOM 1223 CA LEU A 105 2.295 9.112 -7.050 1.00 0.00 C ATOM 1224 C LEU A 105 1.444 9.732 -5.937 1.00 0.00 C ATOM 1225 O LEU A 105 0.219 9.600 -5.943 1.00 0.00 O ATOM 1226 CB LEU A 105 2.969 7.830 -6.548 1.00 0.00 C ATOM 1227 CG LEU A 105 2.060 6.603 -6.473 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.672 6.138 -7.870 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.744 5.481 -5.705 1.00 0.00 C ATOM 0 H LEU A 105 4.262 9.705 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 105 1.636 8.868 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.809 7.600 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.380 8.019 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 105 1.150 6.880 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.025 5.264 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.142 6.939 -8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.571 5.878 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.084 4.615 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.670 5.206 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.969 5.817 -4.693 1.00 0.00 H new ATOM 1241 N CYS A 106 2.097 10.405 -4.986 1.00 0.00 N ATOM 1242 CA CYS A 106 1.391 11.053 -3.879 1.00 0.00 C ATOM 1243 C CYS A 106 0.529 12.211 -4.387 1.00 0.00 C ATOM 1244 O CYS A 106 -0.590 12.416 -3.912 1.00 0.00 O ATOM 1245 CB CYS A 106 2.384 11.563 -2.830 1.00 0.00 C ATOM 1246 SG CYS A 106 3.407 10.271 -2.088 1.00 0.00 S ATOM 0 H CYS A 106 3.111 10.515 -4.961 1.00 0.00 H new ATOM 0 HA CYS A 106 0.740 10.311 -3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.035 12.305 -3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.831 12.072 -2.040 1.00 0.00 H new ATOM 0 HG CYS A 106 4.298 9.875 -2.948 1.00 0.00 H new ATOM 1252 N ALA A 107 1.062 12.964 -5.354 1.00 0.00 N ATOM 1253 CA ALA A 107 0.344 14.099 -5.937 1.00 0.00 C ATOM 1254 C ALA A 107 -0.920 13.645 -6.672 1.00 0.00 C ATOM 1255 O ALA A 107 -1.913 14.374 -6.716 1.00 0.00 O ATOM 1256 CB ALA A 107 1.254 14.870 -6.884 1.00 0.00 C ATOM 0 H ALA A 107 1.989 12.807 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 107 0.040 14.755 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.707 15.711 -7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.120 15.241 -6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.588 14.211 -7.685 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.875 12.441 -7.249 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.015 11.886 -7.981 1.00 0.00 C ATOM 1264 C LEU A 108 -3.245 11.734 -7.086 1.00 0.00 C ATOM 1265 O LEU A 108 -4.370 11.974 -7.523 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.649 10.526 -8.585 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.761 10.577 -9.830 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.383 9.171 -10.267 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.464 11.314 -10.961 1.00 0.00 C ATOM 0 H LEU A 108 -0.058 11.831 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.261 12.587 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.143 9.934 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.570 10.000 -8.838 1.00 0.00 H new ATOM 0 HG LEU A 108 0.150 11.121 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.249 9.223 -11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.160 8.674 -9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.286 8.606 -10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.816 11.339 -11.837 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.391 10.798 -11.210 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.689 12.333 -10.647 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.025 11.344 -5.830 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.126 11.155 -4.902 1.00 0.00 C ATOM 1283 C GLY A 109 -4.805 9.805 -5.066 1.00 0.00 C ATOM 1284 O GLY A 109 -4.458 9.033 -5.963 1.00 0.00 O ATOM 0 H GLY A 109 -2.101 11.156 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.756 11.249 -3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.860 11.947 -5.049 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.771 9.524 -4.193 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.508 8.260 -4.229 1.00 0.00 C ATOM 1290 C LYS A 110 -7.237 8.064 -5.559 1.00 0.00 C ATOM 1291 O LYS A 110 -7.064 7.039 -6.216 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.512 8.203 -3.075 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.328 6.920 -3.039 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.341 6.933 -1.905 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.426 7.976 -2.126 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.197 7.731 -3.377 1.00 0.00 N ATOM 0 H LYS A 110 -6.063 10.157 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.782 7.454 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.975 8.309 -2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.190 9.053 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.846 6.791 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.660 6.067 -2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.798 5.947 -1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.830 7.135 -0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.107 7.974 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.972 8.966 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.070 8.295 -3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.621 8.005 -4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.438 6.722 -3.444 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.052 9.049 -5.946 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.818 8.981 -7.194 1.00 0.00 C ATOM 1312 C GLU A 111 -7.945 8.578 -8.388 1.00 0.00 C ATOM 1313 O GLU A 111 -8.281 7.640 -9.110 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.518 10.319 -7.473 1.00 0.00 C ATOM 1315 CG GLU A 111 -8.584 11.522 -7.498 1.00 0.00 C ATOM 1316 CD GLU A 111 -9.330 12.835 -7.646 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.701 13.428 -6.612 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.543 13.270 -8.798 1.00 0.00 O ATOM 0 H GLU A 111 -8.199 9.905 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.572 8.205 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.033 10.253 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.281 10.482 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.999 11.542 -6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.879 11.413 -8.322 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.825 9.274 -8.588 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.929 8.972 -9.705 1.00 0.00 C ATOM 1327 C CYS A 112 -5.256 7.609 -9.533 1.00 0.00 C ATOM 1328 O CYS A 112 -5.140 6.845 -10.493 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.870 10.064 -9.854 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.528 11.673 -10.355 1.00 0.00 S ATOM 0 H CYS A 112 -6.518 10.046 -7.996 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.535 8.937 -10.611 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.346 10.178 -8.905 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.132 9.741 -10.589 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.346 12.533 -9.398 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.822 7.304 -8.307 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.162 6.033 -8.019 1.00 0.00 C ATOM 1338 C PHE A 113 -5.102 4.852 -8.273 1.00 0.00 C ATOM 1339 O PHE A 113 -4.704 3.853 -8.875 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.669 6.010 -6.570 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.805 4.825 -6.250 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -3.368 3.643 -5.802 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -1.430 4.896 -6.401 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -2.576 2.551 -5.510 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -0.633 3.806 -6.110 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.206 2.632 -5.664 1.00 0.00 C ATOM 0 H PHE A 113 -4.917 7.921 -7.500 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.308 5.937 -8.689 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.108 6.923 -6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.530 6.013 -5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.439 3.574 -5.679 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -0.977 5.812 -6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.027 1.634 -5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.438 3.872 -6.231 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.584 1.779 -5.436 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.348 4.971 -7.806 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.346 3.917 -7.993 1.00 0.00 C ATOM 1358 C LEU A 114 -7.661 3.719 -9.478 1.00 0.00 C ATOM 1359 O LEU A 114 -8.031 2.623 -9.895 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.625 4.235 -7.211 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.687 3.653 -5.795 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.515 4.142 -4.954 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.006 4.013 -5.130 1.00 0.00 C ATOM 0 H LEU A 114 -6.688 5.786 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.929 2.987 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.732 5.318 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.479 3.863 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.620 2.568 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.582 3.715 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.579 3.832 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.544 5.230 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.034 3.592 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.100 5.097 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.831 3.608 -5.716 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.526 4.788 -10.268 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.762 4.712 -11.710 1.00 0.00 C ATOM 1377 C GLU A 115 -6.621 3.964 -12.410 1.00 0.00 C ATOM 1378 O GLU A 115 -6.805 3.413 -13.498 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.905 6.116 -12.306 1.00 0.00 C ATOM 1380 CG GLU A 115 -9.210 6.808 -11.939 1.00 0.00 C ATOM 1381 CD GLU A 115 -10.427 6.106 -12.511 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -10.791 6.399 -13.670 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -11.015 5.264 -11.800 1.00 0.00 O ATOM 0 H GLU A 115 -7.255 5.713 -9.933 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.690 4.163 -11.870 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.071 6.731 -11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.833 6.049 -13.392 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.299 6.854 -10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.185 7.836 -12.301 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.443 3.947 -11.775 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.267 3.270 -12.323 1.00 0.00 C ATOM 1392 C LEU A 116 -4.280 1.771 -12.001 1.00 0.00 C ATOM 1393 O LEU A 116 -3.833 0.954 -12.806 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.990 3.903 -11.762 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.776 5.376 -12.118 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.637 5.963 -11.298 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.496 5.532 -13.605 1.00 0.00 C ATOM 0 H LEU A 116 -5.281 4.399 -10.875 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.292 3.386 -13.407 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.004 3.808 -10.676 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.134 3.332 -12.121 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.689 5.922 -11.881 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.499 7.011 -11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.875 5.887 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.719 5.413 -11.504 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.347 6.586 -13.838 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.599 4.972 -13.867 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.342 5.150 -14.177 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.798 1.420 -10.821 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.861 0.024 -10.387 1.00 0.00 C ATOM 1411 C ALA A 117 -6.284 -0.530 -10.487 1.00 0.00 C ATOM 1412 O ALA A 117 -7.250 0.232 -10.504 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.345 -0.109 -8.962 1.00 0.00 C ATOM 0 H ALA A 117 -5.180 2.085 -10.149 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.226 -0.561 -11.053 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.398 -1.153 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.311 0.231 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.957 0.499 -8.295 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.429 -1.870 -10.563 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.743 -2.525 -10.652 1.00 0.00 C ATOM 1421 C PRO A 118 -8.665 -2.174 -9.481 1.00 0.00 C ATOM 1422 O PRO A 118 -8.277 -1.468 -8.548 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.414 -4.025 -10.647 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.006 -4.125 -10.175 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.333 -2.849 -10.597 1.00 0.00 C ATOM 0 HA PRO A 118 -8.285 -2.201 -11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -8.088 -4.572 -9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.525 -4.454 -11.643 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.966 -4.247 -9.093 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.509 -4.991 -10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.526 -2.575 -9.918 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.897 -2.933 -11.593 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.891 -2.690 -9.547 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.911 -2.443 -8.525 1.00 0.00 C ATOM 1435 C ASP A 119 -10.558 -3.020 -7.148 1.00 0.00 C ATOM 1436 O ASP A 119 -11.191 -2.651 -6.158 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.252 -3.028 -8.982 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.750 -2.405 -10.274 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.411 -1.348 -10.208 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -12.479 -2.976 -11.351 1.00 0.00 O ATOM 0 H ASP A 119 -10.207 -3.291 -10.309 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.971 -1.361 -8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.147 -4.104 -9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.996 -2.877 -8.200 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.565 -3.916 -7.067 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.223 -4.509 -5.770 1.00 0.00 C ATOM 1447 C PHE A 120 -7.880 -4.015 -5.224 1.00 0.00 C ATOM 1448 O PHE A 120 -7.826 -3.446 -4.132 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.262 -6.038 -5.826 1.00 0.00 C ATOM 1450 CG PHE A 120 -10.615 -6.594 -6.169 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -11.588 -6.731 -5.193 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -10.912 -6.978 -7.466 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -12.834 -7.240 -5.505 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -12.155 -7.488 -7.784 1.00 0.00 C ATOM 1455 CZ PHE A 120 -13.118 -7.620 -6.802 1.00 0.00 C ATOM 0 H PHE A 120 -9.002 -4.237 -7.855 1.00 0.00 H new ATOM 0 HA PHE A 120 -9.988 -4.172 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.539 -6.385 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.949 -6.437 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.370 -6.437 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.163 -6.877 -8.237 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.585 -7.341 -4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -12.374 -7.783 -8.799 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.091 -8.019 -7.048 1.00 0.00 H new ATOM 1465 N VAL A 121 -6.799 -4.234 -5.981 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.456 -3.828 -5.542 1.00 0.00 C ATOM 1467 C VAL A 121 -5.365 -2.321 -5.276 1.00 0.00 C ATOM 1468 O VAL A 121 -4.609 -1.889 -4.404 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.361 -4.225 -6.561 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -4.564 -5.649 -7.060 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.314 -3.244 -7.719 1.00 0.00 C ATOM 0 H VAL A 121 -6.825 -4.687 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.281 -4.364 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.400 -4.186 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.780 -5.899 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.521 -6.339 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.536 -5.729 -7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.536 -3.546 -8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.278 -3.235 -8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.094 -2.245 -7.341 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.132 -1.530 -6.035 1.00 0.00 N ATOM 1482 CA GLY A 122 -6.122 -0.084 -5.862 1.00 0.00 C ATOM 1483 C GLY A 122 -6.386 0.343 -4.425 1.00 0.00 C ATOM 1484 O GLY A 122 -5.846 1.349 -3.965 1.00 0.00 O ATOM 0 H GLY A 122 -6.759 -1.868 -6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -5.156 0.308 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.876 0.360 -6.512 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.216 -0.426 -3.719 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.552 -0.130 -2.327 1.00 0.00 C ATOM 1490 C ASP A 123 -6.388 -0.464 -1.392 1.00 0.00 C ATOM 1491 O ASP A 123 -6.044 0.327 -0.518 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.798 -0.913 -1.901 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.991 -0.640 -2.799 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.720 0.340 -2.538 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.192 -1.406 -3.765 1.00 0.00 O ATOM 0 H ASP A 123 -7.669 -1.261 -4.090 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.755 0.938 -2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.575 -1.980 -1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -9.053 -0.653 -0.874 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.788 -1.641 -1.584 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.665 -2.079 -0.751 1.00 0.00 C ATOM 1502 C ILE A 124 -3.455 -1.162 -0.914 1.00 0.00 C ATOM 1503 O ILE A 124 -2.992 -0.553 0.052 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.229 -3.521 -1.094 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.408 -4.488 -0.968 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.080 -3.955 -0.193 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.042 -5.924 -1.267 1.00 0.00 C ATOM 0 H ILE A 124 -6.060 -2.307 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.019 -2.040 0.279 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.885 -3.540 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.812 -4.427 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.200 -4.174 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.784 -4.973 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.233 -3.284 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.400 -3.919 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -5.925 -6.555 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.666 -5.999 -2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.272 -6.256 -0.571 1.00 0.00 H new ATOM 1519 N LEU A 125 -2.947 -1.084 -2.144 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.779 -0.265 -2.459 1.00 0.00 C ATOM 1521 C LEU A 125 -1.914 1.160 -1.921 1.00 0.00 C ATOM 1522 O LEU A 125 -1.065 1.606 -1.153 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.532 -0.241 -3.969 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.221 -1.599 -4.603 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.278 -1.505 -6.120 1.00 0.00 C ATOM 1526 CD2 LEU A 125 0.142 -2.101 -4.147 1.00 0.00 C ATOM 0 H LEU A 125 -3.332 -1.584 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 125 -0.922 -0.722 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.412 0.177 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.702 0.436 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.976 -2.314 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.054 -2.480 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.275 -1.191 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.545 -0.777 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.346 -3.068 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.911 -1.388 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.146 -2.208 -3.062 1.00 0.00 H new ATOM 1538 N TRP A 126 -2.977 1.870 -2.310 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.174 3.245 -1.843 1.00 0.00 C ATOM 1540 C TRP A 126 -3.373 3.292 -0.323 1.00 0.00 C ATOM 1541 O TRP A 126 -2.936 4.246 0.321 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.336 3.930 -2.584 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.157 4.839 -1.715 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.982 6.179 -1.530 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.273 4.463 -0.901 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.918 6.659 -0.646 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.723 5.624 -0.248 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.934 3.256 -0.662 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.805 5.611 0.630 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -8.007 3.244 0.207 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.434 4.415 0.844 1.00 0.00 C ATOM 0 H TRP A 126 -3.703 1.523 -2.937 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.267 3.804 -2.074 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.934 4.505 -3.418 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.985 3.164 -3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.219 6.775 -2.008 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -6.000 7.627 -0.337 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.611 2.347 -1.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.135 6.513 1.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.525 2.316 0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.277 4.374 1.518 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.018 2.277 0.254 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.223 2.241 1.704 1.00 0.00 C ATOM 1564 C GLU A 127 -2.874 2.345 2.422 1.00 0.00 C ATOM 1565 O GLU A 127 -2.669 3.235 3.250 1.00 0.00 O ATOM 1566 CB GLU A 127 -4.947 0.957 2.125 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.219 0.870 3.619 1.00 0.00 C ATOM 1568 CD GLU A 127 -5.806 -0.466 4.029 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.049 -0.600 4.015 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -5.024 -1.380 4.365 1.00 0.00 O ATOM 0 H GLU A 127 -4.403 1.479 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.847 3.089 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.893 0.891 1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.349 0.097 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.290 1.037 4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.904 1.667 3.907 1.00 0.00 H new ATOM 1577 N HIS A 128 -1.958 1.435 2.085 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.622 1.428 2.676 1.00 0.00 C ATOM 1579 C HIS A 128 0.204 2.609 2.158 1.00 0.00 C ATOM 1580 O HIS A 128 1.060 3.136 2.869 1.00 0.00 O ATOM 1581 CB HIS A 128 0.088 0.106 2.363 1.00 0.00 C ATOM 1582 CG HIS A 128 1.443 -0.021 2.994 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.456 -0.783 2.450 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.952 0.521 4.128 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.526 -0.703 3.219 1.00 0.00 C ATOM 1586 NE2 HIS A 128 3.247 0.082 4.243 1.00 0.00 N ATOM 0 H HIS A 128 -2.119 0.693 1.404 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.722 1.527 3.757 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.538 -0.720 2.701 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.191 0.007 1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.435 1.176 4.813 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.470 -1.196 3.041 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.890 0.323 4.997 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.063 3.016 0.913 1.00 0.00 N ATOM 1596 CA LEU A 129 0.641 4.136 0.293 1.00 0.00 C ATOM 1597 C LEU A 129 0.477 5.409 1.121 1.00 0.00 C ATOM 1598 O LEU A 129 1.451 6.122 1.370 1.00 0.00 O ATOM 1599 CB LEU A 129 0.121 4.367 -1.130 1.00 0.00 C ATOM 1600 CG LEU A 129 0.909 5.383 -1.961 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.347 4.924 -2.152 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.232 5.602 -3.306 1.00 0.00 C ATOM 0 H LEU A 129 -0.766 2.582 0.315 1.00 0.00 H new ATOM 0 HA LEU A 129 1.701 3.888 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.121 3.413 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.916 4.698 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 129 0.926 6.331 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.888 5.661 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.827 4.818 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.357 3.964 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.803 6.327 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.186 4.658 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.778 5.979 -3.148 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.758 5.690 1.548 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.031 6.876 2.356 1.00 0.00 C ATOM 1616 C GLU A 130 -0.438 6.715 3.754 1.00 0.00 C ATOM 1617 O GLU A 130 -0.020 7.692 4.375 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.539 7.144 2.457 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.242 7.277 1.112 1.00 0.00 C ATOM 1620 CD GLU A 130 -2.497 8.167 0.135 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -2.601 9.406 0.259 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -1.812 7.623 -0.758 1.00 0.00 O ATOM 0 H GLU A 130 -1.577 5.116 1.348 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.563 7.729 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.004 6.333 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.696 8.059 3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.363 6.287 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.243 7.679 1.270 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.411 5.470 4.243 1.00 0.00 N ATOM 1630 CA ILE A 131 0.147 5.167 5.559 1.00 0.00 C ATOM 1631 C ILE A 131 1.627 5.549 5.616 1.00 0.00 C ATOM 1632 O ILE A 131 2.105 6.058 6.628 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.020 3.669 5.907 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.491 3.351 6.186 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.848 3.288 7.098 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -1.786 1.869 6.263 1.00 0.00 C ATOM 0 H ILE A 131 -0.771 4.657 3.743 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.403 5.755 6.294 1.00 0.00 H new ATOM 0 HB ILE A 131 0.307 3.079 5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.784 3.821 7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.105 3.795 5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.713 2.230 7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.895 3.478 6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.559 3.883 7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.847 1.719 6.463 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.525 1.396 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.199 1.422 7.065 1.00 0.00 H new ATOM 1648 N LEU A 132 2.346 5.292 4.521 1.00 0.00 N ATOM 1649 CA LEU A 132 3.767 5.628 4.431 1.00 0.00 C ATOM 1650 C LEU A 132 3.979 7.135 4.589 1.00 0.00 C ATOM 1651 O LEU A 132 4.991 7.573 5.138 1.00 0.00 O ATOM 1652 CB LEU A 132 4.340 5.158 3.089 1.00 0.00 C ATOM 1653 CG LEU A 132 4.361 3.640 2.886 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.894 3.295 1.503 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.200 2.969 3.965 1.00 0.00 C ATOM 0 H LEU A 132 1.966 4.851 3.683 1.00 0.00 H new ATOM 0 HA LEU A 132 4.289 5.117 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.757 5.608 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.358 5.536 2.994 1.00 0.00 H new ATOM 0 HG LEU A 132 3.340 3.267 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.902 2.212 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.254 3.745 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.908 3.680 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.204 1.891 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.222 3.346 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.776 3.189 4.945 1.00 0.00 H new ATOM 1667 N GLN A 133 3.014 7.921 4.097 1.00 0.00 N ATOM 1668 CA GLN A 133 3.073 9.378 4.186 1.00 0.00 C ATOM 1669 C GLN A 133 2.985 9.843 5.640 1.00 0.00 C ATOM 1670 O GLN A 133 3.876 10.535 6.135 1.00 0.00 O ATOM 1671 CB GLN A 133 1.932 9.999 3.370 1.00 0.00 C ATOM 1672 CG GLN A 133 1.971 9.634 1.896 1.00 0.00 C ATOM 1673 CD GLN A 133 0.784 10.169 1.118 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.214 11.206 1.461 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.409 9.464 0.057 1.00 0.00 N ATOM 0 H GLN A 133 2.179 7.566 3.631 1.00 0.00 H new ATOM 0 HA GLN A 133 4.030 9.706 3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.979 9.678 3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.974 11.084 3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.890 10.021 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 133 2.003 8.549 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.910 8.611 -0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.380 9.776 -0.510 1.00 0.00 H new