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 60 GLN : amide:sc= -1.27 K(o=-1.3,f=-4.9!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -121:sc= -0.0222 (180deg=-0.195) 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 61 GLN : amide:sc= -0.599 K(o=-0.6,f=-1.7) USER MOD Single : A 71 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.047 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.9) USER MOD Single : A 82 MET CE :methyl -174:sc= -1.52 (180deg=-1.56) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 89 SER OG : rot -61:sc= 0.154 USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.0363 (180deg=-0.252) USER MOD Single : A 96 GLN : amide:sc= -0.863 X(o=-0.86,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ 168:sc=-0.00682 (180deg=-0.115) USER MOD Single : A 99 CYS SG : rot -33:sc= 0.262 USER MOD Single : A 100 MET CE :methyl -143:sc= -0.148 (180deg=-0.303) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 84:sc= -1.66 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 109:sc= 0.0035 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 133 GLN : amide:sc= -2.08! X(o=-2.1!,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.451 -6.820 7.296 1.00 0.00 N ATOM 414 CA GLY A 55 6.621 -7.467 6.002 1.00 0.00 C ATOM 415 C GLY A 55 7.146 -6.517 4.931 1.00 0.00 C ATOM 416 O GLY A 55 7.544 -6.954 3.852 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.310 -8.305 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.665 -7.879 5.679 1.00 0.00 H new ATOM 420 N PHE A 56 7.150 -5.216 5.234 1.00 0.00 N ATOM 421 CA PHE A 56 7.629 -4.208 4.293 1.00 0.00 C ATOM 422 C PHE A 56 9.060 -3.791 4.624 1.00 0.00 C ATOM 423 O PHE A 56 9.909 -3.721 3.736 1.00 0.00 O ATOM 424 CB PHE A 56 6.707 -2.983 4.295 1.00 0.00 C ATOM 425 CG PHE A 56 7.015 -1.996 3.198 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.372 -2.435 1.932 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.949 -0.634 3.435 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.658 -1.534 0.926 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.234 0.273 2.431 1.00 0.00 C ATOM 430 CZ PHE A 56 7.589 -0.179 1.175 1.00 0.00 C ATOM 0 H PHE A 56 6.826 -4.839 6.125 1.00 0.00 H new ATOM 0 HA PHE A 56 7.620 -4.649 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.674 -3.316 4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.787 -2.480 5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.427 -3.495 1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.672 -0.276 4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.936 -1.890 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.179 1.333 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.812 0.527 0.389 1.00 0.00 H new ATOM 440 N THR A 57 9.321 -3.524 5.906 1.00 0.00 N ATOM 441 CA THR A 57 10.651 -3.115 6.360 1.00 0.00 C ATOM 442 C THR A 57 11.721 -4.135 5.963 1.00 0.00 C ATOM 443 O THR A 57 12.851 -3.757 5.658 1.00 0.00 O ATOM 444 CB THR A 57 10.688 -2.896 7.889 1.00 0.00 C ATOM 445 OG1 THR A 57 9.642 -1.997 8.282 1.00 0.00 O ATOM 446 CG2 THR A 57 12.031 -2.327 8.325 1.00 0.00 C ATOM 0 H THR A 57 8.626 -3.584 6.650 1.00 0.00 H new ATOM 0 HA THR A 57 10.870 -2.169 5.866 1.00 0.00 H new ATOM 0 HB THR A 57 10.543 -3.862 8.372 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.672 -1.865 9.253 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.031 -2.182 9.405 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.826 -3.021 8.052 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.199 -1.370 7.831 1.00 0.00 H new ATOM 454 N LYS A 58 11.364 -5.423 5.966 1.00 0.00 N ATOM 455 CA LYS A 58 12.308 -6.475 5.580 1.00 0.00 C ATOM 456 C LYS A 58 12.811 -6.234 4.158 1.00 0.00 C ATOM 457 O LYS A 58 13.988 -6.442 3.860 1.00 0.00 O ATOM 458 CB LYS A 58 11.659 -7.861 5.681 1.00 0.00 C ATOM 459 CG LYS A 58 10.458 -8.052 4.764 1.00 0.00 C ATOM 460 CD LYS A 58 9.867 -9.446 4.905 1.00 0.00 C ATOM 461 CE LYS A 58 8.839 -9.732 3.820 1.00 0.00 C ATOM 462 NZ LYS A 58 8.360 -11.141 3.859 1.00 0.00 N ATOM 0 H LYS A 58 10.438 -5.760 6.229 1.00 0.00 H new ATOM 0 HA LYS A 58 13.153 -6.443 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.407 -8.619 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.347 -8.030 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.697 -7.307 4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.758 -7.886 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.665 -10.187 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.400 -9.546 5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.991 -9.058 3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.277 -9.525 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.662 -11.291 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.165 -11.785 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.919 -11.332 4.781 1.00 0.00 H new ATOM 476 N GLU A 59 11.902 -5.790 3.289 1.00 0.00 N ATOM 477 CA GLU A 59 12.232 -5.491 1.903 1.00 0.00 C ATOM 478 C GLU A 59 12.950 -4.145 1.817 1.00 0.00 C ATOM 479 O GLU A 59 13.913 -3.989 1.065 1.00 0.00 O ATOM 480 CB GLU A 59 10.952 -5.471 1.058 1.00 0.00 C ATOM 481 CG GLU A 59 11.122 -4.845 -0.318 1.00 0.00 C ATOM 482 CD GLU A 59 10.306 -3.576 -0.487 1.00 0.00 C ATOM 483 OE1 GLU A 59 10.633 -2.567 0.173 1.00 0.00 O ATOM 484 OE2 GLU A 59 9.337 -3.592 -1.276 1.00 0.00 O ATOM 0 H GLU A 59 10.923 -5.630 3.528 1.00 0.00 H new ATOM 0 HA GLU A 59 12.896 -6.264 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.594 -6.493 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.181 -4.924 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.176 -4.620 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.827 -5.566 -1.080 1.00 0.00 H new ATOM 491 N GLN A 60 12.464 -3.176 2.597 1.00 0.00 N ATOM 492 CA GLN A 60 13.046 -1.835 2.639 1.00 0.00 C ATOM 493 C GLN A 60 14.520 -1.871 3.050 1.00 0.00 C ATOM 494 O GLN A 60 15.296 -1.002 2.658 1.00 0.00 O ATOM 495 CB GLN A 60 12.261 -0.957 3.615 1.00 0.00 C ATOM 496 CG GLN A 60 10.811 -0.751 3.214 1.00 0.00 C ATOM 497 CD GLN A 60 10.047 0.099 4.210 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.468 -0.415 5.168 1.00 0.00 O ATOM 499 NE2 GLN A 60 10.039 1.408 3.989 1.00 0.00 N ATOM 0 H GLN A 60 11.661 -3.299 3.213 1.00 0.00 H new ATOM 0 HA GLN A 60 12.987 -1.416 1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.295 -1.410 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.750 0.014 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.773 -0.278 2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.323 -1.721 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.532 1.792 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.540 2.030 4.625 1.00 0.00 H new ATOM 508 N GLN A 61 14.895 -2.872 3.848 1.00 0.00 N ATOM 509 CA GLN A 61 16.281 -3.016 4.301 1.00 0.00 C ATOM 510 C GLN A 61 17.118 -3.791 3.283 1.00 0.00 C ATOM 511 O GLN A 61 18.289 -3.475 3.066 1.00 0.00 O ATOM 512 CB GLN A 61 16.329 -3.725 5.658 1.00 0.00 C ATOM 513 CG GLN A 61 15.667 -2.945 6.782 1.00 0.00 C ATOM 514 CD GLN A 61 15.601 -3.732 8.077 1.00 0.00 C ATOM 515 OE1 GLN A 61 14.628 -4.440 8.337 1.00 0.00 O ATOM 516 NE2 GLN A 61 16.642 -3.618 8.898 1.00 0.00 N ATOM 0 H GLN A 61 14.262 -3.593 4.193 1.00 0.00 H new ATOM 0 HA GLN A 61 16.702 -2.016 4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.843 -4.696 5.567 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.370 -3.913 5.923 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.218 -2.020 6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.658 -2.664 6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.429 -3.020 8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.653 -4.128 9.781 1.00 0.00 H new ATOM 525 N ARG A 62 16.510 -4.802 2.663 1.00 0.00 N ATOM 526 CA ARG A 62 17.195 -5.628 1.668 1.00 0.00 C ATOM 527 C ARG A 62 17.461 -4.851 0.374 1.00 0.00 C ATOM 528 O ARG A 62 18.447 -5.111 -0.320 1.00 0.00 O ATOM 529 CB ARG A 62 16.353 -6.868 1.365 1.00 0.00 C ATOM 530 CG ARG A 62 17.102 -7.954 0.612 1.00 0.00 C ATOM 531 CD ARG A 62 16.258 -9.212 0.462 1.00 0.00 C ATOM 532 NE ARG A 62 15.876 -9.778 1.758 1.00 0.00 N ATOM 533 CZ ARG A 62 14.689 -9.585 2.348 1.00 0.00 C ATOM 534 NH1 ARG A 62 13.757 -8.827 1.774 1.00 0.00 N ATOM 535 NH2 ARG A 62 14.436 -10.153 3.522 1.00 0.00 N ATOM 0 H ARG A 62 15.541 -5.070 2.833 1.00 0.00 H new ATOM 0 HA ARG A 62 18.159 -5.925 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.982 -7.281 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.482 -6.570 0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.386 -7.585 -0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.025 -8.194 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.360 -8.979 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.815 -9.956 -0.108 1.00 0.00 H new ATOM 0 HE ARG A 62 16.560 -10.358 2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.943 -8.385 0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.857 -8.689 2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.144 -10.734 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.533 -10.008 3.975 1.00 0.00 H new ATOM 549 N LEU A 63 16.581 -3.900 0.058 1.00 0.00 N ATOM 550 CA LEU A 63 16.701 -3.092 -1.155 1.00 0.00 C ATOM 551 C LEU A 63 17.153 -1.662 -0.852 1.00 0.00 C ATOM 552 O LEU A 63 17.921 -1.077 -1.619 1.00 0.00 O ATOM 553 CB LEU A 63 15.352 -3.052 -1.879 1.00 0.00 C ATOM 554 CG LEU A 63 14.730 -4.419 -2.172 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.362 -4.254 -2.809 1.00 0.00 C ATOM 556 CD2 LEU A 63 15.641 -5.242 -3.072 1.00 0.00 C ATOM 0 H LEU A 63 15.770 -3.669 0.632 1.00 0.00 H new ATOM 0 HA LEU A 63 17.460 -3.556 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.651 -2.473 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.479 -2.519 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 63 14.610 -4.951 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.934 -5.236 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.708 -3.706 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.460 -3.702 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.180 -6.210 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.794 -4.715 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.602 -5.391 -2.579 1.00 0.00 H new ATOM 568 N GLY A 64 16.680 -1.105 0.264 1.00 0.00 N ATOM 569 CA GLY A 64 17.035 0.259 0.630 1.00 0.00 C ATOM 570 C GLY A 64 15.865 1.230 0.509 1.00 0.00 C ATOM 571 O GLY A 64 16.004 2.412 0.833 1.00 0.00 O ATOM 0 H GLY A 64 16.057 -1.575 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.405 0.270 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.851 0.600 -0.007 1.00 0.00 H new ATOM 575 N ILE A 65 14.715 0.733 0.038 1.00 0.00 N ATOM 576 CA ILE A 65 13.515 1.556 -0.122 1.00 0.00 C ATOM 577 C ILE A 65 13.125 2.221 1.200 1.00 0.00 C ATOM 578 O ILE A 65 12.910 1.538 2.201 1.00 0.00 O ATOM 579 CB ILE A 65 12.321 0.718 -0.638 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.662 0.079 -1.989 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.073 1.585 -0.760 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.717 -1.033 -2.392 1.00 0.00 C ATOM 0 H ILE A 65 14.592 -0.241 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 65 13.753 2.325 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 65 12.120 -0.076 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.651 0.850 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.677 -0.316 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.243 0.979 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.820 1.998 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.262 2.399 -1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.021 -1.437 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.746 -1.824 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.703 -0.640 -2.466 1.00 0.00 H new ATOM 594 N PRO A 66 13.032 3.565 1.221 1.00 0.00 N ATOM 595 CA PRO A 66 12.666 4.311 2.432 1.00 0.00 C ATOM 596 C PRO A 66 11.173 4.210 2.745 1.00 0.00 C ATOM 597 O PRO A 66 10.406 3.638 1.969 1.00 0.00 O ATOM 598 CB PRO A 66 13.048 5.749 2.081 1.00 0.00 C ATOM 599 CG PRO A 66 12.918 5.825 0.599 1.00 0.00 C ATOM 600 CD PRO A 66 13.278 4.460 0.073 1.00 0.00 C ATOM 0 HA PRO A 66 13.166 3.927 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.390 6.465 2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.064 5.978 2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.903 6.097 0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.581 6.587 0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.664 4.187 -0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.318 4.418 -0.252 1.00 0.00 H new ATOM 608 N LYS A 67 10.763 4.766 3.885 1.00 0.00 N ATOM 609 CA LYS A 67 9.358 4.737 4.283 1.00 0.00 C ATOM 610 C LYS A 67 8.684 6.083 3.993 1.00 0.00 C ATOM 611 O LYS A 67 7.912 6.596 4.807 1.00 0.00 O ATOM 612 CB LYS A 67 9.232 4.379 5.769 1.00 0.00 C ATOM 613 CG LYS A 67 7.930 3.674 6.117 1.00 0.00 C ATOM 614 CD LYS A 67 7.931 3.172 7.553 1.00 0.00 C ATOM 615 CE LYS A 67 6.746 2.260 7.833 1.00 0.00 C ATOM 616 NZ LYS A 67 6.849 0.967 7.100 1.00 0.00 N ATOM 0 H LYS A 67 11.381 5.239 4.545 1.00 0.00 H new ATOM 0 HA LYS A 67 8.850 3.970 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.068 3.740 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.312 5.290 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.095 4.359 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.777 2.835 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.858 2.634 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.905 4.022 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.684 2.065 8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.824 2.766 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.022 0.853 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.716 0.962 6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.881 0.183 7.782 1.00 0.00 H new ATOM 630 N ASP A 68 8.986 6.646 2.818 1.00 0.00 N ATOM 631 CA ASP A 68 8.422 7.929 2.406 1.00 0.00 C ATOM 632 C ASP A 68 7.896 7.855 0.973 1.00 0.00 C ATOM 633 O ASP A 68 8.665 7.985 0.018 1.00 0.00 O ATOM 634 CB ASP A 68 9.477 9.035 2.509 1.00 0.00 C ATOM 635 CG ASP A 68 9.992 9.223 3.922 1.00 0.00 C ATOM 636 OD1 ASP A 68 9.260 9.807 4.748 1.00 0.00 O ATOM 637 OD2 ASP A 68 11.131 8.792 4.200 1.00 0.00 O ATOM 0 H ASP A 68 9.620 6.229 2.136 1.00 0.00 H new ATOM 0 HA ASP A 68 7.593 8.161 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.313 8.797 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.050 9.973 2.155 1.00 0.00 H new ATOM 642 N PRO A 69 6.577 7.644 0.803 1.00 0.00 N ATOM 643 CA PRO A 69 5.951 7.562 -0.524 1.00 0.00 C ATOM 644 C PRO A 69 6.102 8.858 -1.319 1.00 0.00 C ATOM 645 O PRO A 69 6.099 8.836 -2.549 1.00 0.00 O ATOM 646 CB PRO A 69 4.476 7.280 -0.220 1.00 0.00 C ATOM 647 CG PRO A 69 4.281 7.721 1.189 1.00 0.00 C ATOM 648 CD PRO A 69 5.590 7.477 1.884 1.00 0.00 C ATOM 0 HA PRO A 69 6.417 6.795 -1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.822 7.827 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.244 6.221 -0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.006 8.775 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.476 7.161 1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.755 8.187 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.635 6.479 2.321 1.00 0.00 H new ATOM 656 N ARG A 70 6.230 9.985 -0.615 1.00 0.00 N ATOM 657 CA ARG A 70 6.409 11.282 -1.266 1.00 0.00 C ATOM 658 C ARG A 70 7.865 11.447 -1.697 1.00 0.00 C ATOM 659 O ARG A 70 8.150 11.999 -2.760 1.00 0.00 O ATOM 660 CB ARG A 70 6.002 12.416 -0.322 1.00 0.00 C ATOM 661 CG ARG A 70 4.544 12.360 0.106 1.00 0.00 C ATOM 662 CD ARG A 70 4.369 12.808 1.549 1.00 0.00 C ATOM 663 NE ARG A 70 2.961 12.886 1.938 1.00 0.00 N ATOM 664 CZ ARG A 70 2.541 13.188 3.169 1.00 0.00 C ATOM 665 NH1 ARG A 70 3.417 13.436 4.141 1.00 0.00 N ATOM 666 NH2 ARG A 70 1.240 13.241 3.431 1.00 0.00 N ATOM 0 H ARG A 70 6.213 10.024 0.404 1.00 0.00 H new ATOM 0 HA ARG A 70 5.770 11.325 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.634 12.383 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.191 13.371 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.947 12.995 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.169 11.343 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.888 12.113 2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.836 13.784 1.684 1.00 0.00 H new ATOM 0 HE ARG A 70 2.256 12.698 1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.418 13.396 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.087 13.666 5.078 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.563 13.051 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.918 13.472 4.371 1.00 0.00 H new ATOM 680 N GLN A 71 8.780 10.957 -0.856 1.00 0.00 N ATOM 681 CA GLN A 71 10.213 11.009 -1.141 1.00 0.00 C ATOM 682 C GLN A 71 10.674 9.695 -1.782 1.00 0.00 C ATOM 683 O GLN A 71 11.740 9.167 -1.454 1.00 0.00 O ATOM 684 CB GLN A 71 11.000 11.280 0.147 1.00 0.00 C ATOM 685 CG GLN A 71 10.625 12.587 0.830 1.00 0.00 C ATOM 686 CD GLN A 71 11.219 12.709 2.221 1.00 0.00 C ATOM 687 OE1 GLN A 71 12.328 13.215 2.392 1.00 0.00 O ATOM 688 NE2 GLN A 71 10.480 12.249 3.226 1.00 0.00 N ATOM 0 H GLN A 71 8.549 10.517 0.035 1.00 0.00 H new ATOM 0 HA GLN A 71 10.402 11.822 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.836 10.457 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.065 11.294 -0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.965 13.423 0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.539 12.661 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.566 11.837 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.827 12.308 4.183 1.00 0.00 H new ATOM 697 N TRP A 72 9.856 9.177 -2.703 1.00 0.00 N ATOM 698 CA TRP A 72 10.156 7.934 -3.409 1.00 0.00 C ATOM 699 C TRP A 72 10.459 8.209 -4.879 1.00 0.00 C ATOM 700 O TRP A 72 10.292 9.335 -5.353 1.00 0.00 O ATOM 701 CB TRP A 72 8.957 6.986 -3.316 1.00 0.00 C ATOM 702 CG TRP A 72 9.085 5.928 -2.266 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.085 5.786 -1.349 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.166 4.860 -2.028 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.846 4.690 -0.559 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.672 4.105 -0.955 1.00 0.00 C ATOM 707 CE3 TRP A 72 6.963 4.468 -2.621 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.017 2.982 -0.463 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.313 3.354 -2.133 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.841 2.622 -1.062 1.00 0.00 C ATOM 0 H TRP A 72 8.973 9.607 -2.977 1.00 0.00 H new ATOM 0 HA TRP A 72 11.030 7.478 -2.945 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.060 7.573 -3.116 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.814 6.505 -4.284 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.939 6.440 -1.258 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.445 4.364 0.200 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.550 5.028 -3.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.422 2.414 0.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.383 3.041 -2.584 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.308 1.755 -0.701 1.00 0.00 H new ATOM 721 N THR A 73 10.903 7.179 -5.600 1.00 0.00 N ATOM 722 CA THR A 73 11.182 7.317 -7.026 1.00 0.00 C ATOM 723 C THR A 73 10.533 6.165 -7.801 1.00 0.00 C ATOM 724 O THR A 73 9.876 5.311 -7.205 1.00 0.00 O ATOM 725 CB THR A 73 12.700 7.374 -7.313 1.00 0.00 C ATOM 726 OG1 THR A 73 12.934 7.660 -8.698 1.00 0.00 O ATOM 727 CG2 THR A 73 13.377 6.060 -6.941 1.00 0.00 C ATOM 0 H THR A 73 11.076 6.248 -5.222 1.00 0.00 H new ATOM 0 HA THR A 73 10.753 8.262 -7.360 1.00 0.00 H new ATOM 0 HB THR A 73 13.126 8.170 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.899 7.695 -8.866 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.444 6.128 -7.153 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.230 5.863 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.942 5.249 -7.524 1.00 0.00 H new ATOM 735 N GLU A 74 10.714 6.141 -9.123 1.00 0.00 N ATOM 736 CA GLU A 74 10.122 5.095 -9.963 1.00 0.00 C ATOM 737 C GLU A 74 10.427 3.692 -9.434 1.00 0.00 C ATOM 738 O GLU A 74 9.544 2.835 -9.400 1.00 0.00 O ATOM 739 CB GLU A 74 10.611 5.224 -11.408 1.00 0.00 C ATOM 740 CG GLU A 74 10.246 6.550 -12.057 1.00 0.00 C ATOM 741 CD GLU A 74 10.568 6.586 -13.538 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.720 6.918 -13.889 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.667 6.281 -14.348 1.00 0.00 O ATOM 0 H GLU A 74 11.264 6.831 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 74 9.041 5.235 -9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.694 5.105 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.190 4.411 -11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.182 6.738 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.781 7.355 -11.554 1.00 0.00 H new ATOM 750 N THR A 75 11.676 3.462 -9.024 1.00 0.00 N ATOM 751 CA THR A 75 12.082 2.157 -8.504 1.00 0.00 C ATOM 752 C THR A 75 11.331 1.811 -7.218 1.00 0.00 C ATOM 753 O THR A 75 10.789 0.715 -7.088 1.00 0.00 O ATOM 754 CB THR A 75 13.600 2.103 -8.232 1.00 0.00 C ATOM 755 OG1 THR A 75 14.327 2.483 -9.408 1.00 0.00 O ATOM 756 CG2 THR A 75 14.028 0.706 -7.798 1.00 0.00 C ATOM 0 H THR A 75 12.420 4.160 -9.042 1.00 0.00 H new ATOM 0 HA THR A 75 11.833 1.425 -9.272 1.00 0.00 H new ATOM 0 HB THR A 75 13.822 2.802 -7.425 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.289 2.447 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.102 0.696 -7.613 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.500 0.431 -6.885 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.789 -0.009 -8.585 1.00 0.00 H new ATOM 764 N HIS A 76 11.307 2.752 -6.270 1.00 0.00 N ATOM 765 CA HIS A 76 10.619 2.544 -4.993 1.00 0.00 C ATOM 766 C HIS A 76 9.119 2.327 -5.202 1.00 0.00 C ATOM 767 O HIS A 76 8.513 1.475 -4.552 1.00 0.00 O ATOM 768 CB HIS A 76 10.847 3.732 -4.053 1.00 0.00 C ATOM 769 CG HIS A 76 12.288 3.979 -3.723 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.782 5.222 -3.389 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.346 3.132 -3.672 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.078 5.131 -3.150 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.444 3.873 -3.313 1.00 0.00 N ATOM 0 H HIS A 76 11.755 3.664 -6.362 1.00 0.00 H new ATOM 0 HA HIS A 76 11.038 1.647 -4.537 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.430 4.629 -4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.297 3.561 -3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.328 2.072 -3.876 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.728 5.947 -2.869 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.390 3.511 -3.192 1.00 0.00 H new ATOM 782 N VAL A 77 8.532 3.107 -6.111 1.00 0.00 N ATOM 783 CA VAL A 77 7.107 3.006 -6.425 1.00 0.00 C ATOM 784 C VAL A 77 6.770 1.645 -7.036 1.00 0.00 C ATOM 785 O VAL A 77 5.875 0.946 -6.562 1.00 0.00 O ATOM 786 CB VAL A 77 6.679 4.118 -7.411 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.253 3.892 -7.900 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.806 5.483 -6.751 1.00 0.00 C ATOM 0 H VAL A 77 9.027 3.821 -6.646 1.00 0.00 H new ATOM 0 HA VAL A 77 6.563 3.122 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 77 7.342 4.084 -8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.975 4.687 -8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.191 2.930 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.572 3.897 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.502 6.257 -7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.166 5.522 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.842 5.649 -6.454 1.00 0.00 H new ATOM 798 N ARG A 78 7.507 1.286 -8.091 1.00 0.00 N ATOM 799 CA ARG A 78 7.307 0.023 -8.801 1.00 0.00 C ATOM 800 C ARG A 78 7.660 -1.177 -7.924 1.00 0.00 C ATOM 801 O ARG A 78 6.908 -2.152 -7.877 1.00 0.00 O ATOM 802 CB ARG A 78 8.140 0.010 -10.090 1.00 0.00 C ATOM 803 CG ARG A 78 8.102 -1.311 -10.848 1.00 0.00 C ATOM 804 CD ARG A 78 9.142 -2.292 -10.326 1.00 0.00 C ATOM 805 NE ARG A 78 10.507 -1.781 -10.464 1.00 0.00 N ATOM 806 CZ ARG A 78 11.552 -2.240 -9.769 1.00 0.00 C ATOM 807 NH1 ARG A 78 11.397 -3.226 -8.887 1.00 0.00 N ATOM 808 NH2 ARG A 78 12.756 -1.713 -9.959 1.00 0.00 N ATOM 0 H ARG A 78 8.256 1.862 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 78 6.250 -0.058 -9.056 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.783 0.803 -10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.175 0.243 -9.842 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.109 -1.752 -10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.276 -1.127 -11.908 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.941 -2.506 -9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.053 -3.234 -10.867 1.00 0.00 H new ATOM 0 HE ARG A 78 10.671 -1.028 -11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.475 -3.637 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.200 -3.570 -8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.882 -0.959 -10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.555 -2.062 -9.429 1.00 0.00 H new ATOM 822 N ASP A 79 8.802 -1.119 -7.241 1.00 0.00 N ATOM 823 CA ASP A 79 9.214 -2.220 -6.376 1.00 0.00 C ATOM 824 C ASP A 79 8.218 -2.412 -5.230 1.00 0.00 C ATOM 825 O ASP A 79 7.942 -3.542 -4.827 1.00 0.00 O ATOM 826 CB ASP A 79 10.622 -1.989 -5.823 1.00 0.00 C ATOM 827 CG ASP A 79 11.193 -3.228 -5.161 1.00 0.00 C ATOM 828 OD1 ASP A 79 10.771 -3.545 -4.029 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.058 -3.883 -5.778 1.00 0.00 O ATOM 0 H ASP A 79 9.450 -0.332 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 79 9.229 -3.128 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.281 -1.677 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.596 -1.173 -5.100 1.00 0.00 H new ATOM 834 N TRP A 80 7.684 -1.301 -4.712 1.00 0.00 N ATOM 835 CA TRP A 80 6.715 -1.369 -3.621 1.00 0.00 C ATOM 836 C TRP A 80 5.441 -2.064 -4.099 1.00 0.00 C ATOM 837 O TRP A 80 5.094 -3.133 -3.603 1.00 0.00 O ATOM 838 CB TRP A 80 6.400 0.025 -3.064 1.00 0.00 C ATOM 839 CG TRP A 80 5.131 0.072 -2.267 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.925 -0.443 -1.021 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.890 0.658 -2.672 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.629 -0.215 -0.626 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.974 0.460 -1.622 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.464 1.332 -3.820 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.659 0.910 -1.689 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.159 1.779 -3.883 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.270 1.566 -2.823 1.00 0.00 C ATOM 0 H TRP A 80 7.905 -0.357 -5.028 1.00 0.00 H new ATOM 0 HA TRP A 80 7.152 -1.952 -2.810 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.228 0.353 -2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.328 0.731 -3.891 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.671 -0.955 -0.431 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.221 -0.502 0.264 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.143 1.500 -4.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.970 0.747 -0.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.819 2.302 -4.765 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.255 1.928 -2.903 1.00 0.00 H new ATOM 858 N VAL A 81 4.730 -1.428 -5.041 1.00 0.00 N ATOM 859 CA VAL A 81 3.510 -2.002 -5.614 1.00 0.00 C ATOM 860 C VAL A 81 3.680 -3.500 -5.894 1.00 0.00 C ATOM 861 O VAL A 81 2.817 -4.305 -5.542 1.00 0.00 O ATOM 862 CB VAL A 81 3.091 -1.267 -6.913 1.00 0.00 C ATOM 863 CG1 VAL A 81 4.202 -1.293 -7.952 1.00 0.00 C ATOM 864 CG2 VAL A 81 1.811 -1.861 -7.480 1.00 0.00 C ATOM 0 H VAL A 81 4.981 -0.515 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 81 2.719 -1.872 -4.875 1.00 0.00 H new ATOM 0 HB VAL A 81 2.903 -0.225 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.873 -0.769 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.088 -0.803 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.441 -2.326 -8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.536 -1.330 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.969 -2.915 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.009 -1.764 -6.748 1.00 0.00 H new ATOM 874 N MET A 82 4.808 -3.865 -6.515 1.00 0.00 N ATOM 875 CA MET A 82 5.109 -5.264 -6.829 1.00 0.00 C ATOM 876 C MET A 82 5.167 -6.097 -5.550 1.00 0.00 C ATOM 877 O MET A 82 4.605 -7.191 -5.481 1.00 0.00 O ATOM 878 CB MET A 82 6.440 -5.360 -7.578 1.00 0.00 C ATOM 879 CG MET A 82 6.721 -6.738 -8.156 1.00 0.00 C ATOM 880 SD MET A 82 8.167 -6.753 -9.233 1.00 0.00 S ATOM 881 CE MET A 82 7.654 -5.597 -10.503 1.00 0.00 C ATOM 0 H MET A 82 5.529 -3.207 -6.810 1.00 0.00 H new ATOM 0 HA MET A 82 4.315 -5.656 -7.465 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.445 -4.629 -8.387 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.249 -5.089 -6.899 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.871 -7.446 -7.341 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.850 -7.078 -8.717 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.398 -5.578 -11.300 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.692 -5.908 -10.911 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.560 -4.601 -10.071 1.00 0.00 H new ATOM 891 N TRP A 83 5.862 -5.566 -4.542 1.00 0.00 N ATOM 892 CA TRP A 83 5.987 -6.228 -3.247 1.00 0.00 C ATOM 893 C TRP A 83 4.607 -6.417 -2.603 1.00 0.00 C ATOM 894 O TRP A 83 4.347 -7.439 -1.970 1.00 0.00 O ATOM 895 CB TRP A 83 6.907 -5.408 -2.330 1.00 0.00 C ATOM 896 CG TRP A 83 6.747 -5.717 -0.872 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.463 -6.619 -0.140 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.806 -5.123 0.028 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.022 -6.623 1.160 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.004 -5.713 1.288 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.813 -4.149 -0.111 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.246 -5.362 2.402 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.061 -3.801 0.995 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.282 -4.407 2.237 1.00 0.00 C ATOM 0 H TRP A 83 6.350 -4.672 -4.602 1.00 0.00 H new ATOM 0 HA TRP A 83 6.427 -7.214 -3.395 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.943 -5.587 -2.617 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.711 -4.348 -2.490 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.259 -7.238 -0.526 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.392 -7.208 1.909 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.637 -3.677 -1.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.414 -5.828 3.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.291 -3.050 0.899 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.678 -4.114 3.083 1.00 0.00 H new ATOM 915 N ALA A 84 3.729 -5.423 -2.779 1.00 0.00 N ATOM 916 CA ALA A 84 2.376 -5.479 -2.228 1.00 0.00 C ATOM 917 C ALA A 84 1.512 -6.498 -2.980 1.00 0.00 C ATOM 918 O ALA A 84 0.467 -6.922 -2.486 1.00 0.00 O ATOM 919 CB ALA A 84 1.730 -4.101 -2.265 1.00 0.00 C ATOM 0 H ALA A 84 3.934 -4.570 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 84 2.449 -5.804 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.723 -4.160 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.325 -3.404 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.679 -3.751 -3.296 1.00 0.00 H new ATOM 925 N VAL A 85 1.964 -6.888 -4.175 1.00 0.00 N ATOM 926 CA VAL A 85 1.251 -7.866 -4.990 1.00 0.00 C ATOM 927 C VAL A 85 1.628 -9.285 -4.561 1.00 0.00 C ATOM 928 O VAL A 85 0.814 -10.202 -4.637 1.00 0.00 O ATOM 929 CB VAL A 85 1.567 -7.681 -6.492 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.977 -8.817 -7.316 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.044 -6.341 -6.983 1.00 0.00 C ATOM 0 H VAL A 85 2.824 -6.538 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 85 0.183 -7.709 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 85 2.650 -7.699 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.213 -8.663 -8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.400 -9.765 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.105 -8.837 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.275 -6.226 -8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.036 -6.297 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.518 -5.537 -6.420 1.00 0.00 H new ATOM 941 N ASN A 86 2.876 -9.451 -4.112 1.00 0.00 N ATOM 942 CA ASN A 86 3.373 -10.748 -3.658 1.00 0.00 C ATOM 943 C ASN A 86 2.940 -11.029 -2.216 1.00 0.00 C ATOM 944 O ASN A 86 2.658 -12.175 -1.860 1.00 0.00 O ATOM 945 CB ASN A 86 4.903 -10.795 -3.762 1.00 0.00 C ATOM 946 CG ASN A 86 5.404 -10.485 -5.162 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.756 -10.815 -6.156 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.563 -9.840 -5.248 1.00 0.00 N ATOM 0 H ASN A 86 3.561 -8.698 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 86 2.945 -11.517 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.333 -10.081 -3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.253 -11.784 -3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.947 -9.600 -6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.069 -9.585 -4.400 1.00 0.00 H new ATOM 955 N GLU A 87 2.888 -9.976 -1.395 1.00 0.00 N ATOM 956 CA GLU A 87 2.489 -10.106 0.008 1.00 0.00 C ATOM 957 C GLU A 87 0.977 -10.289 0.135 1.00 0.00 C ATOM 958 O GLU A 87 0.509 -11.092 0.946 1.00 0.00 O ATOM 959 CB GLU A 87 2.928 -8.875 0.806 1.00 0.00 C ATOM 960 CG GLU A 87 4.434 -8.661 0.835 1.00 0.00 C ATOM 961 CD GLU A 87 5.156 -9.658 1.722 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.454 -10.773 1.244 1.00 0.00 O ATOM 963 OE2 GLU A 87 5.427 -9.321 2.895 1.00 0.00 O ATOM 0 H GLU A 87 3.118 -9.024 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 87 2.981 -10.990 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.454 -7.991 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.565 -8.970 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.826 -8.735 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.646 -7.651 1.186 1.00 0.00 H new ATOM 970 N PHE A 88 0.217 -9.543 -0.670 1.00 0.00 N ATOM 971 CA PHE A 88 -1.243 -9.622 -0.645 1.00 0.00 C ATOM 972 C PHE A 88 -1.789 -10.479 -1.794 1.00 0.00 C ATOM 973 O PHE A 88 -3.005 -10.542 -1.992 1.00 0.00 O ATOM 974 CB PHE A 88 -1.848 -8.216 -0.725 1.00 0.00 C ATOM 975 CG PHE A 88 -1.568 -7.361 0.480 1.00 0.00 C ATOM 976 CD1 PHE A 88 -0.397 -6.626 0.572 1.00 0.00 C ATOM 977 CD2 PHE A 88 -2.483 -7.290 1.519 1.00 0.00 C ATOM 978 CE1 PHE A 88 -0.143 -5.836 1.676 1.00 0.00 C ATOM 979 CE2 PHE A 88 -2.233 -6.502 2.626 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.063 -5.774 2.704 1.00 0.00 C ATOM 0 H PHE A 88 0.590 -8.877 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.527 -10.096 0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.460 -7.715 -1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.927 -8.302 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.326 -6.671 -0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.401 -7.857 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.773 -5.268 1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.953 -6.456 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.867 -5.156 3.568 1.00 0.00 H new ATOM 990 N SER A 89 -0.894 -11.148 -2.539 1.00 0.00 N ATOM 991 CA SER A 89 -1.293 -11.986 -3.674 1.00 0.00 C ATOM 992 C SER A 89 -2.360 -11.286 -4.521 1.00 0.00 C ATOM 993 O SER A 89 -3.470 -11.797 -4.695 1.00 0.00 O ATOM 994 CB SER A 89 -1.801 -13.346 -3.180 1.00 0.00 C ATOM 995 OG SER A 89 -2.054 -14.223 -4.265 1.00 0.00 O ATOM 0 H SER A 89 0.112 -11.122 -2.373 1.00 0.00 H new ATOM 0 HA SER A 89 -0.418 -12.150 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.064 -13.792 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.714 -13.208 -2.600 1.00 0.00 H new ATOM 0 HG SER A 89 -2.741 -13.835 -4.846 1.00 0.00 H new ATOM 1001 N LEU A 90 -2.010 -10.112 -5.045 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.934 -9.332 -5.861 1.00 0.00 C ATOM 1003 C LEU A 90 -2.819 -9.714 -7.337 1.00 0.00 C ATOM 1004 O LEU A 90 -1.921 -10.466 -7.725 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.669 -7.834 -5.675 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.698 -7.345 -4.223 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.473 -5.842 -4.158 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.016 -7.717 -3.558 1.00 0.00 C ATOM 0 H LEU A 90 -1.094 -9.682 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.949 -9.554 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.695 -7.597 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.412 -7.276 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.889 -7.836 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.497 -5.515 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.503 -5.600 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.258 -5.332 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.017 -7.361 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.841 -7.256 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.135 -8.800 -3.568 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.733 -9.193 -8.156 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.732 -9.482 -9.589 1.00 0.00 C ATOM 1022 C LYS A 91 -4.435 -8.382 -10.384 1.00 0.00 C ATOM 1023 O LYS A 91 -5.372 -7.746 -9.895 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.395 -10.839 -9.867 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.881 -10.898 -9.532 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.124 -10.927 -8.028 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.588 -11.191 -7.700 1.00 0.00 C ATOM 1028 NZ LYS A 91 -8.015 -12.560 -8.104 1.00 0.00 N ATOM 0 H LYS A 91 -4.481 -8.570 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.692 -9.521 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.263 -11.084 -10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.876 -11.607 -9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.385 -10.034 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.321 -11.785 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.504 -11.700 -7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.819 -9.976 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.748 -11.063 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.211 -10.453 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.919 -12.791 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.131 -12.597 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.293 -13.249 -7.812 1.00 0.00 H new ATOM 1042 N GLY A 92 -3.967 -8.166 -11.615 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.554 -7.150 -12.476 1.00 0.00 C ATOM 1044 C GLY A 92 -3.891 -5.784 -12.351 1.00 0.00 C ATOM 1045 O GLY A 92 -4.178 -4.887 -13.146 1.00 0.00 O ATOM 0 H GLY A 92 -3.190 -8.679 -12.031 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.489 -7.482 -13.512 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.613 -7.053 -12.239 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.004 -5.619 -11.365 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.320 -4.344 -11.162 1.00 0.00 C ATOM 1051 C VAL A 93 -1.249 -4.127 -12.227 1.00 0.00 C ATOM 1052 O VAL A 93 -0.503 -5.047 -12.571 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.685 -4.251 -9.755 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.564 -5.266 -9.588 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.181 -2.839 -9.484 1.00 0.00 C ATOM 0 H VAL A 93 -2.746 -6.349 -10.700 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.073 -3.561 -11.247 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.458 -4.486 -9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.138 -5.176 -8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.961 -6.272 -9.724 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.211 -5.078 -10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.738 -2.795 -8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.430 -2.572 -10.228 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.014 -2.138 -9.541 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.187 -2.906 -12.749 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.222 -2.563 -13.786 1.00 0.00 C ATOM 1067 C ASP A 94 0.926 -1.727 -13.228 1.00 0.00 C ATOM 1068 O ASP A 94 0.706 -0.756 -12.501 1.00 0.00 O ATOM 1069 CB ASP A 94 -0.920 -1.797 -14.911 1.00 0.00 C ATOM 1070 CG ASP A 94 -2.046 -2.592 -15.544 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -1.776 -3.340 -16.507 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -3.198 -2.467 -15.076 1.00 0.00 O ATOM 0 H ASP A 94 -1.795 -2.137 -12.470 1.00 0.00 H new ATOM 0 HA ASP A 94 0.196 -3.491 -14.176 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.317 -0.861 -14.517 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.189 -1.536 -15.676 1.00 0.00 H new ATOM 1077 N PHE A 95 2.152 -2.114 -13.581 1.00 0.00 N ATOM 1078 CA PHE A 95 3.347 -1.396 -13.137 1.00 0.00 C ATOM 1079 C PHE A 95 3.659 -0.241 -14.090 1.00 0.00 C ATOM 1080 O PHE A 95 4.313 0.729 -13.704 1.00 0.00 O ATOM 1081 CB PHE A 95 4.545 -2.343 -13.028 1.00 0.00 C ATOM 1082 CG PHE A 95 4.314 -3.503 -12.096 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.091 -3.289 -10.744 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.318 -4.803 -12.574 1.00 0.00 C ATOM 1085 CE1 PHE A 95 3.877 -4.352 -9.887 1.00 0.00 C ATOM 1086 CE2 PHE A 95 4.104 -5.870 -11.721 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.884 -5.643 -10.376 1.00 0.00 C ATOM 0 H PHE A 95 2.344 -2.922 -14.174 1.00 0.00 H new ATOM 0 HA PHE A 95 3.150 -0.986 -12.146 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.785 -2.727 -14.019 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.413 -1.780 -12.685 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.084 -2.281 -10.357 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.490 -4.985 -13.624 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.705 -4.173 -8.836 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.109 -6.879 -12.105 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.718 -6.475 -9.708 1.00 0.00 H new ATOM 1097 N GLN A 96 3.192 -0.353 -15.340 1.00 0.00 N ATOM 1098 CA GLN A 96 3.383 0.701 -16.334 1.00 0.00 C ATOM 1099 C GLN A 96 2.641 1.961 -15.892 1.00 0.00 C ATOM 1100 O GLN A 96 3.111 3.080 -16.103 1.00 0.00 O ATOM 1101 CB GLN A 96 2.876 0.251 -17.710 1.00 0.00 C ATOM 1102 CG GLN A 96 3.770 -0.775 -18.396 1.00 0.00 C ATOM 1103 CD GLN A 96 3.778 -2.120 -17.691 1.00 0.00 C ATOM 1104 OE1 GLN A 96 4.617 -2.374 -16.826 1.00 0.00 O ATOM 1105 NE2 GLN A 96 2.841 -2.989 -18.054 1.00 0.00 N ATOM 0 H GLN A 96 2.679 -1.165 -15.683 1.00 0.00 H new ATOM 0 HA GLN A 96 4.449 0.915 -16.416 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.877 -0.170 -17.598 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.783 1.125 -18.355 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.434 -0.912 -19.424 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.788 -0.389 -18.442 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.165 -2.738 -18.775 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.798 -3.907 -17.611 1.00 0.00 H new ATOM 1114 N LYS A 97 1.473 1.756 -15.276 1.00 0.00 N ATOM 1115 CA LYS A 97 0.652 2.848 -14.759 1.00 0.00 C ATOM 1116 C LYS A 97 1.365 3.571 -13.616 1.00 0.00 C ATOM 1117 O LYS A 97 1.252 4.790 -13.481 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.692 2.302 -14.264 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.777 2.275 -15.331 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.396 1.387 -16.507 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.475 1.386 -17.580 1.00 0.00 C ATOM 1122 NZ LYS A 97 -2.629 2.724 -18.223 1.00 0.00 N ATOM 0 H LYS A 97 1.073 0.830 -15.123 1.00 0.00 H new ATOM 0 HA LYS A 97 0.481 3.559 -15.567 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.545 1.291 -13.884 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.034 2.911 -13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.708 1.917 -14.892 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.962 3.289 -15.687 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.456 1.734 -16.936 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.230 0.369 -16.156 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.229 0.645 -18.341 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.425 1.085 -17.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.219 2.634 -19.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.082 3.380 -17.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.693 3.092 -18.488 1.00 0.00 H new ATOM 1136 N PHE A 98 2.100 2.812 -12.796 1.00 0.00 N ATOM 1137 CA PHE A 98 2.833 3.382 -11.665 1.00 0.00 C ATOM 1138 C PHE A 98 4.309 3.602 -12.010 1.00 0.00 C ATOM 1139 O PHE A 98 5.180 3.503 -11.141 1.00 0.00 O ATOM 1140 CB PHE A 98 2.714 2.471 -10.437 1.00 0.00 C ATOM 1141 CG PHE A 98 1.301 2.272 -9.964 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.507 3.358 -9.628 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.769 0.997 -9.853 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.791 3.176 -9.193 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.528 0.810 -9.419 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.310 1.901 -9.088 1.00 0.00 C ATOM 0 H PHE A 98 2.202 1.802 -12.896 1.00 0.00 H new ATOM 0 HA PHE A 98 2.389 4.351 -11.437 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.148 1.500 -10.673 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.303 2.894 -9.624 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.908 4.358 -9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.376 0.141 -10.109 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.399 4.030 -8.935 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.932 -0.188 -9.338 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.325 1.756 -8.748 1.00 0.00 H new ATOM 1156 N CYS A 99 4.589 3.908 -13.281 1.00 0.00 N ATOM 1157 CA CYS A 99 5.958 4.149 -13.729 1.00 0.00 C ATOM 1158 C CYS A 99 6.331 5.619 -13.525 1.00 0.00 C ATOM 1159 O CYS A 99 6.519 6.368 -14.488 1.00 0.00 O ATOM 1160 CB CYS A 99 6.114 3.751 -15.202 1.00 0.00 C ATOM 1161 SG CYS A 99 7.815 3.822 -15.813 1.00 0.00 S ATOM 0 H CYS A 99 3.885 3.994 -14.014 1.00 0.00 H new ATOM 0 HA CYS A 99 6.635 3.536 -13.134 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.734 2.738 -15.335 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.493 4.407 -15.812 1.00 0.00 H new ATOM 0 HG CYS A 99 8.453 4.781 -15.210 1.00 0.00 H new ATOM 1167 N MET A 100 6.432 6.021 -12.257 1.00 0.00 N ATOM 1168 CA MET A 100 6.770 7.398 -11.907 1.00 0.00 C ATOM 1169 C MET A 100 7.303 7.482 -10.476 1.00 0.00 C ATOM 1170 O MET A 100 7.247 6.506 -9.725 1.00 0.00 O ATOM 1171 CB MET A 100 5.541 8.302 -12.064 1.00 0.00 C ATOM 1172 CG MET A 100 4.486 8.089 -10.986 1.00 0.00 C ATOM 1173 SD MET A 100 2.900 8.840 -11.403 1.00 0.00 S ATOM 1174 CE MET A 100 2.223 7.608 -12.514 1.00 0.00 C ATOM 0 H MET A 100 6.284 5.409 -11.455 1.00 0.00 H new ATOM 0 HA MET A 100 7.552 7.739 -12.585 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.862 9.344 -12.046 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.092 8.124 -13.041 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.346 7.020 -10.827 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.845 8.507 -10.045 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.673 8.103 -13.315 1.00 0.00 H new ATOM 0 HE2 MET A 100 3.034 7.018 -12.941 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.549 6.952 -11.963 1.00 0.00 H new ATOM 1184 N SER A 101 7.810 8.656 -10.105 1.00 0.00 N ATOM 1185 CA SER A 101 8.355 8.868 -8.765 1.00 0.00 C ATOM 1186 C SER A 101 7.243 8.930 -7.718 1.00 0.00 C ATOM 1187 O SER A 101 6.080 9.183 -8.042 1.00 0.00 O ATOM 1188 CB SER A 101 9.191 10.150 -8.719 1.00 0.00 C ATOM 1189 OG SER A 101 8.400 11.291 -9.008 1.00 0.00 O ATOM 0 H SER A 101 7.855 9.474 -10.712 1.00 0.00 H new ATOM 0 HA SER A 101 8.997 8.019 -8.531 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.642 10.258 -7.732 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.008 10.080 -9.437 1.00 0.00 H new ATOM 0 HG SER A 101 8.959 12.095 -8.970 1.00 0.00 H new ATOM 1195 N GLY A 102 7.617 8.694 -6.462 1.00 0.00 N ATOM 1196 CA GLY A 102 6.661 8.720 -5.368 1.00 0.00 C ATOM 1197 C GLY A 102 5.933 10.047 -5.260 1.00 0.00 C ATOM 1198 O GLY A 102 4.720 10.074 -5.043 1.00 0.00 O ATOM 0 H GLY A 102 8.575 8.483 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.933 7.921 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.181 8.518 -4.431 1.00 0.00 H new ATOM 1202 N ALA A 103 6.674 11.148 -5.406 1.00 0.00 N ATOM 1203 CA ALA A 103 6.091 12.488 -5.338 1.00 0.00 C ATOM 1204 C ALA A 103 4.920 12.625 -6.311 1.00 0.00 C ATOM 1205 O ALA A 103 3.908 13.252 -5.993 1.00 0.00 O ATOM 1206 CB ALA A 103 7.151 13.539 -5.636 1.00 0.00 C ATOM 0 H ALA A 103 7.680 11.137 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 103 5.713 12.644 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.704 14.532 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.955 13.463 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.554 13.376 -6.636 1.00 0.00 H new ATOM 1212 N ALA A 104 5.067 12.024 -7.496 1.00 0.00 N ATOM 1213 CA ALA A 104 4.023 12.062 -8.515 1.00 0.00 C ATOM 1214 C ALA A 104 2.832 11.204 -8.099 1.00 0.00 C ATOM 1215 O ALA A 104 1.683 11.637 -8.182 1.00 0.00 O ATOM 1216 CB ALA A 104 4.571 11.581 -9.851 1.00 0.00 C ATOM 0 H ALA A 104 5.902 11.506 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 104 3.687 13.093 -8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.781 11.615 -10.602 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.393 12.226 -10.160 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.931 10.557 -9.749 1.00 0.00 H new ATOM 1222 N LEU A 105 3.126 9.980 -7.652 1.00 0.00 N ATOM 1223 CA LEU A 105 2.099 9.038 -7.211 1.00 0.00 C ATOM 1224 C LEU A 105 1.223 9.642 -6.110 1.00 0.00 C ATOM 1225 O LEU A 105 -0.004 9.550 -6.170 1.00 0.00 O ATOM 1226 CB LEU A 105 2.755 7.746 -6.714 1.00 0.00 C ATOM 1227 CG LEU A 105 1.802 6.568 -6.512 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.191 6.140 -7.838 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.530 5.403 -5.856 1.00 0.00 C ATOM 0 H LEU A 105 4.077 9.618 -7.587 1.00 0.00 H new ATOM 0 HA LEU A 105 1.457 8.813 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.525 7.451 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.257 7.953 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 105 0.995 6.886 -5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.516 5.300 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.636 6.973 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.983 5.839 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.838 4.572 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.356 5.086 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.918 5.716 -4.887 1.00 0.00 H new ATOM 1241 N CYS A 106 1.858 10.252 -5.106 1.00 0.00 N ATOM 1242 CA CYS A 106 1.125 10.878 -4.005 1.00 0.00 C ATOM 1243 C CYS A 106 0.288 12.054 -4.514 1.00 0.00 C ATOM 1244 O CYS A 106 -0.838 12.267 -4.061 1.00 0.00 O ATOM 1245 CB CYS A 106 2.092 11.353 -2.916 1.00 0.00 C ATOM 1246 SG CYS A 106 2.997 10.018 -2.101 1.00 0.00 S ATOM 0 H CYS A 106 2.873 10.325 -5.033 1.00 0.00 H new ATOM 0 HA CYS A 106 0.455 10.133 -3.577 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.808 12.046 -3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.532 11.909 -2.165 1.00 0.00 H new ATOM 0 HG CYS A 106 4.044 9.710 -2.807 1.00 0.00 H new ATOM 1252 N ALA A 107 0.852 12.809 -5.461 1.00 0.00 N ATOM 1253 CA ALA A 107 0.163 13.956 -6.053 1.00 0.00 C ATOM 1254 C ALA A 107 -1.077 13.519 -6.838 1.00 0.00 C ATOM 1255 O ALA A 107 -2.068 14.248 -6.901 1.00 0.00 O ATOM 1256 CB ALA A 107 1.113 14.730 -6.957 1.00 0.00 C ATOM 0 H ALA A 107 1.787 12.645 -5.834 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.167 14.605 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.589 15.581 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.962 15.086 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.469 14.078 -7.754 1.00 0.00 H new ATOM 1262 N LEU A 108 -1.010 12.323 -7.435 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.121 11.777 -8.219 1.00 0.00 C ATOM 1264 C LEU A 108 -3.394 11.620 -7.383 1.00 0.00 C ATOM 1265 O LEU A 108 -4.500 11.810 -7.891 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.732 10.418 -8.812 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.763 10.470 -9.996 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.366 9.065 -10.417 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.385 11.223 -11.164 1.00 0.00 C ATOM 0 H LEU A 108 -0.193 11.713 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.329 12.487 -9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.284 9.812 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.640 9.906 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 108 0.135 11.004 -9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.323 9.119 -11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.120 8.559 -9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.256 8.508 -10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.681 11.249 -11.996 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.299 10.718 -11.477 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.621 12.242 -10.856 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.232 11.282 -6.101 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.378 11.094 -5.228 1.00 0.00 C ATOM 1283 C GLY A 109 -5.032 9.736 -5.413 1.00 0.00 C ATOM 1284 O GLY A 109 -4.663 8.979 -6.312 1.00 0.00 O ATOM 0 H GLY A 109 -2.327 11.136 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.062 11.204 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.111 11.877 -5.422 1.00 0.00 H new ATOM 1288 N LYS A 110 -6.007 9.427 -4.557 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.720 8.151 -4.624 1.00 0.00 C ATOM 1290 C LYS A 110 -7.423 7.976 -5.972 1.00 0.00 C ATOM 1291 O LYS A 110 -7.341 6.910 -6.582 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.739 8.045 -3.486 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.529 6.745 -3.495 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.327 6.566 -2.214 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.449 7.587 -2.101 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.220 7.427 -0.837 1.00 0.00 N ATOM 0 H LYS A 110 -6.321 10.044 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.983 7.355 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.218 8.137 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.433 8.883 -3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.205 6.736 -4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.846 5.905 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.746 5.560 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.662 6.660 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.031 8.593 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.122 7.483 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.975 8.141 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.641 6.476 -0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.584 7.552 -0.024 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.114 9.024 -6.425 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.827 8.996 -7.703 1.00 0.00 C ATOM 1312 C GLU A 111 -7.925 8.488 -8.828 1.00 0.00 C ATOM 1313 O GLU A 111 -8.171 7.419 -9.388 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.346 10.396 -8.046 1.00 0.00 C ATOM 1315 CG GLU A 111 -10.490 10.406 -9.049 1.00 0.00 C ATOM 1316 CD GLU A 111 -10.142 9.722 -10.360 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.340 10.288 -11.133 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -10.671 8.619 -10.611 1.00 0.00 O ATOM 0 H GLU A 111 -8.195 9.908 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.669 8.311 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.677 10.884 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.523 10.990 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.356 9.912 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.779 11.437 -9.250 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.878 9.252 -9.145 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.948 8.880 -10.210 1.00 0.00 C ATOM 1327 C CYS A 112 -5.312 7.514 -9.945 1.00 0.00 C ATOM 1328 O CYS A 112 -5.121 6.726 -10.873 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.859 9.943 -10.366 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.465 11.540 -10.958 1.00 0.00 S ATOM 0 H CYS A 112 -6.654 10.131 -8.679 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.518 8.815 -11.137 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.367 10.087 -9.404 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.103 9.574 -11.059 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.410 12.410 -9.993 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.990 7.237 -8.678 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.382 5.963 -8.300 1.00 0.00 C ATOM 1338 C PHE A 113 -5.311 4.797 -8.641 1.00 0.00 C ATOM 1339 O PHE A 113 -4.864 3.772 -9.159 1.00 0.00 O ATOM 1340 CB PHE A 113 -4.059 5.954 -6.803 1.00 0.00 C ATOM 1341 CG PHE A 113 -3.175 4.817 -6.384 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -3.715 3.585 -6.052 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -1.801 4.982 -6.319 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -2.902 2.539 -5.665 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -0.983 3.940 -5.930 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.533 2.717 -5.603 1.00 0.00 C ATOM 0 H PHE A 113 -5.141 7.879 -7.899 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.457 5.845 -8.864 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.576 6.895 -6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.991 5.905 -6.240 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.784 3.442 -6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.365 5.936 -6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.335 1.583 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.087 4.082 -5.882 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.895 1.901 -5.299 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.604 4.960 -8.342 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.598 3.928 -8.634 1.00 0.00 C ATOM 1358 C LEU A 114 -7.760 3.745 -10.144 1.00 0.00 C ATOM 1359 O LEU A 114 -8.159 2.677 -10.605 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.943 4.271 -7.984 1.00 0.00 C ATOM 1361 CG LEU A 114 -9.196 3.608 -6.627 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -8.073 3.926 -5.649 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.537 4.051 -6.062 1.00 0.00 C ATOM 0 H LEU A 114 -6.984 5.796 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.245 2.987 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.004 5.352 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.743 3.983 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.220 2.528 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.276 3.444 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.128 3.558 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.010 5.005 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.702 3.571 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.538 5.133 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.333 3.766 -6.750 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.467 4.799 -10.911 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.533 4.724 -12.369 1.00 0.00 C ATOM 1377 C GLU A 115 -6.327 3.950 -12.913 1.00 0.00 C ATOM 1378 O GLU A 115 -6.372 3.409 -14.019 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.568 6.129 -12.986 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.741 6.979 -12.520 1.00 0.00 C ATOM 1381 CD GLU A 115 -10.081 6.289 -12.697 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -10.670 6.405 -13.792 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -10.541 5.633 -11.737 1.00 0.00 O ATOM 0 H GLU A 115 -7.183 5.709 -10.547 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.450 4.201 -12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.639 6.645 -12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.607 6.037 -14.071 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.605 7.231 -11.468 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.746 7.917 -13.075 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.250 3.902 -12.118 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.024 3.198 -12.495 1.00 0.00 C ATOM 1392 C LEU A 116 -4.080 1.722 -12.094 1.00 0.00 C ATOM 1393 O LEU A 116 -3.628 0.853 -12.842 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.815 3.862 -11.826 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.536 5.305 -12.252 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.404 5.895 -11.425 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.205 5.372 -13.734 1.00 0.00 C ATOM 0 H LEU A 116 -5.207 4.348 -11.202 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.927 3.255 -13.579 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.963 3.843 -10.746 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.930 3.262 -12.037 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.436 5.895 -12.076 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.219 6.922 -11.741 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.680 5.884 -10.371 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.501 5.302 -11.570 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.010 6.406 -14.017 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.321 4.767 -13.937 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.046 4.990 -14.312 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.638 1.446 -10.911 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.738 0.075 -10.406 1.00 0.00 C ATOM 1411 C ALA A 117 -6.186 -0.413 -10.363 1.00 0.00 C ATOM 1412 O ALA A 117 -7.110 0.383 -10.206 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.112 -0.022 -9.023 1.00 0.00 C ATOM 0 H ALA A 117 -5.026 2.153 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.193 -0.569 -11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.193 -1.046 -8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.061 0.262 -9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.633 0.649 -8.340 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.391 -1.739 -10.512 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.721 -2.365 -10.484 1.00 0.00 C ATOM 1421 C PRO A 118 -8.632 -1.850 -9.364 1.00 0.00 C ATOM 1422 O PRO A 118 -8.184 -1.213 -8.408 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.408 -3.840 -10.246 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.054 -4.053 -10.825 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.328 -2.733 -10.759 1.00 0.00 C ATOM 0 HA PRO A 118 -8.267 -2.149 -11.402 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.423 -4.079 -9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -8.147 -4.481 -10.727 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.513 -4.818 -10.268 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.127 -4.401 -11.855 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.586 -2.727 -9.961 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.798 -2.525 -11.688 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.919 -2.168 -9.501 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.949 -1.771 -8.539 1.00 0.00 C ATOM 1435 C ASP A 119 -10.709 -2.343 -7.136 1.00 0.00 C ATOM 1436 O ASP A 119 -11.251 -1.820 -6.162 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.321 -2.234 -9.049 1.00 0.00 C ATOM 1438 CG ASP A 119 -13.451 -1.895 -8.093 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.905 -0.731 -8.098 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.883 -2.795 -7.340 1.00 0.00 O ATOM 0 H ASP A 119 -10.279 -2.711 -10.286 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.910 -0.685 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.519 -1.772 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.299 -3.312 -9.210 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.907 -3.408 -7.028 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.665 -4.018 -5.719 1.00 0.00 C ATOM 1447 C PHE A 120 -8.248 -3.758 -5.201 1.00 0.00 C ATOM 1448 O PHE A 120 -8.074 -3.244 -4.094 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.975 -5.516 -5.745 1.00 0.00 C ATOM 1450 CG PHE A 120 -11.392 -5.823 -6.139 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -12.400 -5.857 -5.188 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.718 -6.072 -7.464 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -13.704 -6.134 -5.550 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -13.020 -6.350 -7.831 1.00 0.00 C ATOM 1455 CZ PHE A 120 -14.015 -6.381 -6.873 1.00 0.00 C ATOM 0 H PHE A 120 -9.427 -3.855 -7.809 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.348 -3.537 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.297 -6.008 -6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.780 -5.937 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.163 -5.665 -4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.945 -6.048 -8.217 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -14.480 -6.157 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.260 -6.543 -8.866 1.00 0.00 H new ATOM 0 HZ PHE A 120 -15.034 -6.598 -7.158 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.239 -4.115 -6.001 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.839 -3.930 -5.606 1.00 0.00 C ATOM 1467 C VAL A 121 -5.506 -2.457 -5.339 1.00 0.00 C ATOM 1468 O VAL A 121 -4.682 -2.153 -4.475 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.862 -4.485 -6.668 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.209 -5.922 -7.027 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.857 -3.610 -7.907 1.00 0.00 C ATOM 0 H VAL A 121 -7.364 -4.532 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.714 -4.492 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.860 -4.475 -6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.507 -6.290 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.147 -6.545 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.222 -5.962 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.162 -4.021 -8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.859 -3.579 -8.335 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.546 -2.600 -7.638 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.148 -1.551 -6.086 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.910 -0.123 -5.913 1.00 0.00 C ATOM 1483 C GLY A 122 -6.140 0.355 -4.486 1.00 0.00 C ATOM 1484 O GLY A 122 -5.475 1.284 -4.027 1.00 0.00 O ATOM 0 H GLY A 122 -6.829 -1.784 -6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.885 0.106 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.565 0.432 -6.585 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.084 -0.280 -3.786 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.399 0.086 -2.405 1.00 0.00 C ATOM 1490 C ASP A 123 -6.252 -0.268 -1.462 1.00 0.00 C ATOM 1491 O ASP A 123 -5.782 0.580 -0.705 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.680 -0.615 -1.942 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.880 -0.258 -2.797 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.450 0.837 -2.597 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.250 -1.072 -3.668 1.00 0.00 O ATOM 0 H ASP A 123 -7.643 -1.050 -4.154 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.549 1.165 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.529 -1.694 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.883 -0.345 -0.906 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.805 -1.523 -1.516 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.713 -1.996 -0.662 1.00 0.00 C ATOM 1502 C ILE A 124 -3.454 -1.147 -0.832 1.00 0.00 C ATOM 1503 O ILE A 124 -2.835 -0.736 0.150 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.353 -3.467 -0.968 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.548 -4.380 -0.691 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.142 -3.902 -0.149 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.258 -5.845 -0.924 1.00 0.00 C ATOM 0 H ILE A 124 -6.183 -2.233 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.071 -1.911 0.364 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.099 -3.548 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.868 -4.242 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.380 -4.078 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.903 -4.941 -0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.289 -3.270 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.368 -3.807 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.151 -6.432 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.967 -5.997 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.447 -6.164 -0.269 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.089 -0.892 -2.087 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.894 -0.114 -2.397 1.00 0.00 C ATOM 1521 C LEU A 125 -1.989 1.311 -1.853 1.00 0.00 C ATOM 1522 O LEU A 125 -1.174 1.703 -1.023 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.641 -0.099 -3.906 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.455 -1.474 -4.551 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.426 -1.354 -6.067 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.185 -2.139 -4.041 1.00 0.00 C ATOM 0 H LEU A 125 -3.605 -1.214 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.050 -0.596 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.477 0.403 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.752 0.500 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.303 -2.100 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.293 -2.342 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.365 -0.924 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.599 -0.709 -6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.071 -3.115 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.675 -1.516 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.248 -2.263 -2.960 1.00 0.00 H new ATOM 1538 N TRP A 126 -2.986 2.081 -2.299 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.135 3.464 -1.832 1.00 0.00 C ATOM 1540 C TRP A 126 -3.390 3.526 -0.318 1.00 0.00 C ATOM 1541 O TRP A 126 -3.022 4.512 0.324 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.240 4.204 -2.610 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.034 5.161 -1.765 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.875 6.514 -1.684 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.097 4.828 -0.864 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.773 7.042 -0.788 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.535 6.026 -0.271 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.720 3.631 -0.502 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.566 6.060 0.664 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.743 3.665 0.424 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.158 4.872 0.999 1.00 0.00 C ATOM 0 H TRP A 126 -3.691 1.778 -2.971 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.191 3.973 -2.028 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.786 4.752 -3.436 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.918 3.471 -3.048 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.149 7.086 -2.243 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.859 8.029 -0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.406 2.695 -0.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -7.887 6.990 1.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.231 2.745 0.710 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -8.961 4.866 1.721 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.007 2.493 0.254 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.266 2.481 1.692 1.00 0.00 C ATOM 1564 C GLU A 127 -2.949 2.388 2.461 1.00 0.00 C ATOM 1565 O GLU A 127 -2.664 3.228 3.318 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.199 1.329 2.077 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.681 1.392 3.519 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.325 2.721 3.866 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.542 2.872 3.628 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -5.612 3.614 4.373 1.00 0.00 O ATOM 0 H GLU A 127 -4.332 1.666 -0.247 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.764 3.413 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.063 1.335 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.681 0.384 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.398 0.590 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.838 1.217 4.187 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.146 1.369 2.147 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.846 1.189 2.792 1.00 0.00 C ATOM 1579 C HIS A 128 0.100 2.326 2.399 1.00 0.00 C ATOM 1580 O HIS A 128 0.949 2.742 3.188 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.240 -0.165 2.411 1.00 0.00 C ATOM 1582 CG HIS A 128 1.056 -0.467 3.100 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.091 -1.147 2.493 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.485 -0.176 4.353 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.098 -1.263 3.341 1.00 0.00 C ATOM 1586 NE2 HIS A 128 2.755 -0.681 4.475 1.00 0.00 N ATOM 0 H HIS A 128 -2.373 0.658 1.452 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.988 1.210 3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.957 -0.952 2.646 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -0.081 -0.190 1.333 1.00 0.00 H new ATOM 0 HD2 HIS A 128 0.931 0.354 5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.041 -1.751 3.140 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.340 -0.617 5.308 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.060 2.821 1.167 1.00 0.00 N ATOM 1596 CA LEU A 129 0.750 3.925 0.656 1.00 0.00 C ATOM 1597 C LEU A 129 0.494 5.189 1.471 1.00 0.00 C ATOM 1598 O LEU A 129 1.423 5.932 1.791 1.00 0.00 O ATOM 1599 CB LEU A 129 0.418 4.184 -0.818 1.00 0.00 C ATOM 1600 CG LEU A 129 1.357 5.144 -1.549 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.764 4.568 -1.627 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.823 5.444 -2.943 1.00 0.00 C ATOM 0 H LEU A 129 -0.750 2.469 0.503 1.00 0.00 H new ATOM 0 HA LEU A 129 1.802 3.654 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.421 3.230 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.596 4.579 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 129 1.404 6.076 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.415 5.268 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.146 4.402 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.740 3.621 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.501 6.129 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.748 4.517 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.163 5.902 -2.864 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.779 5.422 1.801 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.168 6.587 2.589 1.00 0.00 C ATOM 1616 C GLU A 130 -0.683 6.440 4.034 1.00 0.00 C ATOM 1617 O GLU A 130 -0.523 7.427 4.750 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.687 6.768 2.548 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.163 8.113 3.069 1.00 0.00 C ATOM 1620 CD GLU A 130 -4.671 8.260 2.996 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.175 8.678 1.932 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -5.347 7.954 4.000 1.00 0.00 O ATOM 0 H GLU A 130 -1.556 4.817 1.533 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.701 7.473 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.030 6.646 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.153 5.977 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.838 8.235 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.694 8.910 2.491 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.467 5.191 4.456 1.00 0.00 N ATOM 1630 CA ILE A 131 0.018 4.894 5.799 1.00 0.00 C ATOM 1631 C ILE A 131 1.522 5.165 5.909 1.00 0.00 C ATOM 1632 O ILE A 131 1.999 5.644 6.938 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.278 3.423 6.171 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.780 3.224 6.393 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.508 3.001 7.404 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.196 1.771 6.473 1.00 0.00 C ATOM 0 H ILE A 131 -0.623 4.365 3.878 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.506 5.548 6.496 1.00 0.00 H new ATOM 0 HB ILE A 131 0.039 2.791 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.072 3.728 7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.325 3.705 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.280 1.962 7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.575 3.103 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.232 3.636 8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.273 1.709 6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.936 1.266 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.679 1.290 7.303 1.00 0.00 H new ATOM 1648 N LEU A 132 2.260 4.854 4.838 1.00 0.00 N ATOM 1649 CA LEU A 132 3.710 5.064 4.800 1.00 0.00 C ATOM 1650 C LEU A 132 4.071 6.535 5.023 1.00 0.00 C ATOM 1651 O LEU A 132 4.954 6.848 5.824 1.00 0.00 O ATOM 1652 CB LEU A 132 4.280 4.588 3.460 1.00 0.00 C ATOM 1653 CG LEU A 132 4.210 3.077 3.219 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.688 2.740 1.814 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.034 2.330 4.256 1.00 0.00 C ATOM 0 H LEU A 132 1.874 4.454 3.983 1.00 0.00 H new ATOM 0 HA LEU A 132 4.149 4.481 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.744 5.093 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.322 4.902 3.395 1.00 0.00 H new ATOM 0 HG LEU A 132 3.171 2.762 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.632 1.663 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.056 3.245 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.719 3.071 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.971 1.258 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.074 2.649 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.648 2.546 5.252 1.00 0.00 H new ATOM 1667 N GLN A 133 3.389 7.432 4.303 1.00 0.00 N ATOM 1668 CA GLN A 133 3.630 8.874 4.426 1.00 0.00 C ATOM 1669 C GLN A 133 3.492 9.345 5.875 1.00 0.00 C ATOM 1670 O GLN A 133 4.245 10.210 6.326 1.00 0.00 O ATOM 1671 CB GLN A 133 2.674 9.668 3.521 1.00 0.00 C ATOM 1672 CG GLN A 133 1.227 9.207 3.570 1.00 0.00 C ATOM 1673 CD GLN A 133 0.366 9.872 2.513 1.00 0.00 C ATOM 1674 OE1 GLN A 133 -0.253 10.905 2.763 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.325 9.284 1.320 1.00 0.00 N ATOM 0 H GLN A 133 2.665 7.185 3.628 1.00 0.00 H new ATOM 0 HA GLN A 133 4.655 9.059 4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 133 2.716 10.720 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 133 3.028 9.600 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 133 1.189 8.126 3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 133 0.815 9.421 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.854 8.428 1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.235 9.690 0.570 1.00 0.00 H new