USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 766 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 61 HIS : no HD1:sc= -3.04 K(o=-3.4,f=-7.7!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -117:sc= -0.41 (180deg=-1.32!) USER MOD Single : A 39 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -3.86! K(o=-3.9!,f=-0.42) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -170:sc= -1.56! USER MOD Single : A 55 SER OG : rot -39:sc= -1.48! USER MOD Single : A 56 ASN : amide:sc= -0.162 K(o=-0.16,f=-2!) USER MOD Single : A 57 GLN : amide:sc= -1.38 K(o=-1.4,f=-2) USER MOD Single : A 60 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.4!) USER MOD Single : A 64 GLN : amide:sc= -1.01 K(o=-1,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0686 USER MOD Single : A 69 ASN : amide:sc= -0.0915 K(o=-0.092,f=-4.4!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 178:sc= -0.426 (180deg=-0.433) USER MOD Single : A 77 SER OG : rot -101:sc= 0.332 USER MOD Single : A 80 CYS SG : rot -74:sc= -5.48! USER MOD Single : A 90 LYS NZ :NH3+ 165:sc=-0.00654 (180deg=-0.175) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.802 K(o=-0.8,f=0) USER MOD Single : A 98 ASN : amide:sc= -4.46! K(o=-4.5!,f=-0.93) USER MOD Single : A 99 ASN : amide:sc= -0.757 K(o=-0.76,f=-6.2!) USER MOD Single : A 102 LYS NZ :NH3+ 170:sc= -1.31 (180deg=-1.77) USER MOD Single : A 105 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.7) USER MOD Single : A 107 LYS NZ :NH3+ 170:sc= -2.71! (180deg=-3.12!) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= -0.0216 (180deg=-0.219) USER MOD Single : A 112 GLN : amide:sc= -0.767 X(o=-0.77,f=-1.2) USER MOD Single : A 114 ASN : amide:sc= -6.2! K(o=-6.2!,f=-0.29) USER MOD Single : A 115 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.011) USER MOD Single : A 122 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 126 THR OG1 : rot -134:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -6.162 1.673 2.687 1.00 0.33 N ATOM 516 CA PRO A 36 -6.624 1.896 1.326 1.00 0.40 C ATOM 517 C PRO A 36 -6.283 0.713 0.442 1.00 0.35 C ATOM 518 O PRO A 36 -6.995 0.393 -0.507 1.00 0.48 O ATOM 519 CB PRO A 36 -5.843 3.135 0.883 1.00 0.47 C ATOM 520 CG PRO A 36 -4.596 3.088 1.686 1.00 0.27 C ATOM 521 CD PRO A 36 -4.987 2.506 3.017 1.00 0.30 C ATOM 0 HA PRO A 36 -7.705 2.023 1.261 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.629 3.110 -0.186 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.405 4.049 1.074 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.839 2.474 1.198 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -4.170 4.084 1.805 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -4.181 1.913 3.450 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -5.234 3.283 3.740 1.00 0.30 H new ATOM 529 N ALA A 37 -5.190 0.058 0.800 1.00 0.27 N ATOM 530 CA ALA A 37 -4.690 -1.090 0.070 1.00 0.31 C ATOM 531 C ALA A 37 -5.625 -2.299 0.156 1.00 0.29 C ATOM 532 O ALA A 37 -5.552 -3.208 -0.674 1.00 0.35 O ATOM 533 CB ALA A 37 -3.316 -1.444 0.600 1.00 0.37 C ATOM 0 H ALA A 37 -4.624 0.311 1.610 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.634 -0.822 -0.985 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -2.928 -2.307 0.059 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.644 -0.597 0.462 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.386 -1.683 1.661 1.00 0.37 H new ATOM 539 N GLU A 38 -6.506 -2.306 1.151 1.00 0.28 N ATOM 540 CA GLU A 38 -7.429 -3.423 1.337 1.00 0.30 C ATOM 541 C GLU A 38 -8.415 -3.546 0.173 1.00 0.25 C ATOM 542 O GLU A 38 -8.775 -4.655 -0.225 1.00 0.25 O ATOM 543 CB GLU A 38 -8.173 -3.285 2.670 1.00 0.38 C ATOM 544 CG GLU A 38 -9.473 -2.498 2.587 1.00 0.39 C ATOM 545 CD GLU A 38 -10.693 -3.394 2.494 1.00 0.86 C ATOM 546 OE1 GLU A 38 -11.160 -3.873 3.548 1.00 1.46 O ATOM 547 OE2 GLU A 38 -11.183 -3.617 1.367 1.00 1.36 O ATOM 0 H GLU A 38 -6.601 -1.557 1.837 1.00 0.28 H new ATOM 0 HA GLU A 38 -6.840 -4.340 1.359 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.390 -4.281 3.056 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.515 -2.800 3.391 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.563 -1.858 3.465 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -9.441 -1.842 1.717 1.00 0.39 H new ATOM 554 N ASN A 39 -8.853 -2.410 -0.369 1.00 0.28 N ATOM 555 CA ASN A 39 -9.789 -2.417 -1.494 1.00 0.30 C ATOM 556 C ASN A 39 -9.196 -3.194 -2.662 1.00 0.24 C ATOM 557 O ASN A 39 -9.886 -3.961 -3.335 1.00 0.22 O ATOM 558 CB ASN A 39 -10.118 -0.986 -1.922 1.00 0.37 C ATOM 559 CG ASN A 39 -10.849 -0.213 -0.842 1.00 1.22 C ATOM 560 OD1 ASN A 39 -12.079 -0.204 -0.793 1.00 2.04 O ATOM 561 ND2 ASN A 39 -10.093 0.440 0.033 1.00 2.00 N ATOM 0 H ASN A 39 -8.578 -1.481 -0.051 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.711 -2.905 -1.179 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -9.195 -0.465 -2.177 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -10.729 -1.011 -2.824 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -10.529 0.976 0.783 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -9.077 0.405 -0.045 1.00 2.00 H new ATOM 568 N PHE A 40 -7.912 -2.988 -2.902 1.00 0.23 N ATOM 569 CA PHE A 40 -7.219 -3.691 -3.968 1.00 0.21 C ATOM 570 C PHE A 40 -7.112 -5.135 -3.598 1.00 0.17 C ATOM 571 O PHE A 40 -7.284 -6.023 -4.430 1.00 0.19 O ATOM 572 CB PHE A 40 -5.844 -3.092 -4.176 1.00 0.23 C ATOM 573 CG PHE A 40 -5.932 -1.627 -4.252 1.00 0.95 C ATOM 574 CD1 PHE A 40 -6.212 -1.020 -5.445 1.00 1.59 C ATOM 575 CD2 PHE A 40 -5.803 -0.870 -3.118 1.00 1.48 C ATOM 576 CE1 PHE A 40 -6.368 0.344 -5.514 1.00 2.32 C ATOM 577 CE2 PHE A 40 -5.942 0.496 -3.169 1.00 2.20 C ATOM 578 CZ PHE A 40 -6.230 1.111 -4.372 1.00 2.54 C ATOM 0 H PHE A 40 -7.329 -2.340 -2.373 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.775 -3.595 -4.901 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -5.186 -3.382 -3.357 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.404 -3.485 -5.092 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -6.311 -1.617 -6.340 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -5.590 -1.351 -2.175 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -6.598 0.815 -6.458 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -5.827 1.087 -2.272 1.00 2.20 H new ATOM 0 HZ PHE A 40 -6.347 2.184 -4.420 1.00 2.54 H new ATOM 588 N ARG A 41 -6.826 -5.362 -2.330 1.00 0.15 N ATOM 589 CA ARG A 41 -6.742 -6.702 -1.831 1.00 0.18 C ATOM 590 C ARG A 41 -8.075 -7.387 -2.077 1.00 0.21 C ATOM 591 O ARG A 41 -8.158 -8.607 -2.207 1.00 0.25 O ATOM 592 CB ARG A 41 -6.410 -6.708 -0.352 1.00 0.24 C ATOM 593 CG ARG A 41 -4.940 -6.513 -0.045 1.00 0.32 C ATOM 594 CD ARG A 41 -4.755 -6.166 1.414 1.00 0.33 C ATOM 595 NE ARG A 41 -3.412 -6.476 1.899 1.00 1.36 N ATOM 596 CZ ARG A 41 -3.070 -6.444 3.184 1.00 1.65 C ATOM 597 NH1 ARG A 41 -3.960 -6.087 4.101 1.00 1.07 N ATOM 598 NH2 ARG A 41 -1.840 -6.766 3.554 1.00 2.77 N ATOM 0 H ARG A 41 -6.650 -4.634 -1.638 1.00 0.15 H new ATOM 0 HA ARG A 41 -5.945 -7.236 -2.348 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -6.980 -5.920 0.140 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -6.737 -7.654 0.079 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.387 -7.422 -0.283 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -4.532 -5.719 -0.670 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -4.954 -5.104 1.559 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -5.487 -6.712 2.009 1.00 0.33 H new ATOM 0 HE ARG A 41 -2.699 -6.731 1.216 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -4.908 -5.837 3.821 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -3.696 -6.063 5.086 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -1.152 -7.040 2.853 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -1.581 -6.740 4.540 1.00 2.77 H new ATOM 612 N VAL A 42 -9.126 -6.572 -2.134 1.00 0.21 N ATOM 613 CA VAL A 42 -10.460 -7.072 -2.401 1.00 0.24 C ATOM 614 C VAL A 42 -10.558 -7.494 -3.862 1.00 0.20 C ATOM 615 O VAL A 42 -10.895 -8.633 -4.153 1.00 0.26 O ATOM 616 CB VAL A 42 -11.550 -6.028 -2.065 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.867 -6.371 -2.742 1.00 0.35 C ATOM 618 CG2 VAL A 42 -11.741 -5.931 -0.560 1.00 0.35 C ATOM 0 H VAL A 42 -9.073 -5.563 -1.998 1.00 0.21 H new ATOM 0 HA VAL A 42 -10.635 -7.933 -1.756 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.218 -5.061 -2.443 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.614 -5.619 -2.487 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.726 -6.391 -3.823 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.207 -7.349 -2.402 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.511 -5.192 -0.338 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.045 -6.902 -0.169 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -10.803 -5.629 -0.093 1.00 0.35 H new ATOM 628 N LEU A 43 -10.235 -6.584 -4.782 1.00 0.15 N ATOM 629 CA LEU A 43 -10.293 -6.912 -6.207 1.00 0.15 C ATOM 630 C LEU A 43 -9.467 -8.154 -6.511 1.00 0.12 C ATOM 631 O LEU A 43 -9.872 -8.995 -7.314 1.00 0.14 O ATOM 632 CB LEU A 43 -9.797 -5.757 -7.081 1.00 0.16 C ATOM 633 CG LEU A 43 -10.677 -4.510 -7.086 1.00 0.19 C ATOM 634 CD1 LEU A 43 -10.005 -3.416 -6.293 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.954 -4.039 -8.507 1.00 0.24 C ATOM 0 H LEU A 43 -9.936 -5.632 -4.572 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.341 -7.100 -6.442 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.799 -5.474 -6.746 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.700 -6.116 -8.106 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.633 -4.757 -6.625 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.633 -2.525 -6.297 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.855 -3.750 -5.266 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -9.040 -3.181 -6.742 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -11.583 -3.149 -8.479 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -10.012 -3.802 -9.002 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -11.465 -4.828 -9.059 1.00 0.24 H new ATOM 647 N VAL A 44 -8.306 -8.271 -5.868 1.00 0.11 N ATOM 648 CA VAL A 44 -7.439 -9.416 -6.094 1.00 0.12 C ATOM 649 C VAL A 44 -8.036 -10.684 -5.483 1.00 0.15 C ATOM 650 O VAL A 44 -7.959 -11.760 -6.073 1.00 0.20 O ATOM 651 CB VAL A 44 -6.012 -9.198 -5.538 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.396 -7.925 -6.095 1.00 0.14 C ATOM 653 CG2 VAL A 44 -6.014 -9.159 -4.023 1.00 0.14 C ATOM 0 H VAL A 44 -7.951 -7.593 -5.194 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.363 -9.533 -7.175 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.405 -10.044 -5.859 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.393 -7.797 -5.687 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.340 -7.993 -7.181 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -6.013 -7.070 -5.816 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.997 -9.005 -3.662 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.649 -8.342 -3.681 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.397 -10.103 -3.635 1.00 0.14 H new ATOM 663 N LYS A 45 -8.641 -10.545 -4.301 1.00 0.19 N ATOM 664 CA LYS A 45 -9.241 -11.687 -3.615 1.00 0.26 C ATOM 665 C LYS A 45 -10.683 -11.919 -4.071 1.00 0.27 C ATOM 666 O LYS A 45 -11.320 -12.892 -3.666 1.00 0.32 O ATOM 667 CB LYS A 45 -9.193 -11.481 -2.093 1.00 0.32 C ATOM 668 CG LYS A 45 -10.325 -10.624 -1.547 1.00 0.34 C ATOM 669 CD LYS A 45 -10.284 -10.543 -0.028 1.00 0.42 C ATOM 670 CE LYS A 45 -9.057 -9.791 0.461 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.000 -9.728 1.948 1.00 0.75 N ATOM 0 H LYS A 45 -8.727 -9.659 -3.803 1.00 0.19 H new ATOM 0 HA LYS A 45 -8.661 -12.573 -3.873 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.220 -12.455 -1.604 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.242 -11.019 -1.829 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.258 -9.621 -1.967 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.282 -11.039 -1.864 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.184 -10.046 0.335 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -10.285 -11.549 0.390 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -8.158 -10.279 0.084 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.065 -8.780 0.055 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -8.149 -9.207 2.241 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -9.845 -9.240 2.307 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -8.966 -10.693 2.335 1.00 0.75 H new ATOM 685 N GLN A 46 -11.194 -11.026 -4.918 1.00 0.26 N ATOM 686 CA GLN A 46 -12.561 -11.140 -5.421 1.00 0.31 C ATOM 687 C GLN A 46 -12.570 -11.401 -6.924 1.00 0.34 C ATOM 688 O GLN A 46 -11.527 -11.638 -7.531 1.00 0.38 O ATOM 689 CB GLN A 46 -13.361 -9.869 -5.121 1.00 0.30 C ATOM 690 CG GLN A 46 -13.538 -9.591 -3.640 1.00 0.30 C ATOM 691 CD GLN A 46 -14.263 -10.711 -2.919 1.00 0.37 C ATOM 692 OE1 GLN A 46 -15.489 -10.703 -2.807 1.00 1.06 O ATOM 693 NE2 GLN A 46 -13.507 -11.684 -2.423 1.00 1.27 N ATOM 0 H GLN A 46 -10.682 -10.217 -5.269 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.027 -11.983 -4.912 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -12.860 -9.018 -5.583 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.344 -9.951 -5.585 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.560 -9.443 -3.182 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.094 -8.662 -3.512 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -12.494 -11.652 -2.538 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -13.939 -12.463 -1.927 1.00 1.27 H new ATOM 702 N LYS A 47 -13.760 -11.352 -7.512 1.00 0.40 N ATOM 703 CA LYS A 47 -13.922 -11.566 -8.945 1.00 0.46 C ATOM 704 C LYS A 47 -13.586 -10.289 -9.708 1.00 0.42 C ATOM 705 O LYS A 47 -13.589 -10.264 -10.939 1.00 0.47 O ATOM 706 CB LYS A 47 -15.358 -11.993 -9.249 1.00 0.52 C ATOM 707 CG LYS A 47 -16.391 -10.947 -8.861 1.00 0.53 C ATOM 708 CD LYS A 47 -17.804 -11.501 -8.935 1.00 0.85 C ATOM 709 CE LYS A 47 -18.832 -10.453 -8.541 1.00 1.64 C ATOM 710 NZ LYS A 47 -20.213 -11.010 -8.510 1.00 2.55 N ATOM 0 H LYS A 47 -14.631 -11.165 -7.015 1.00 0.40 H new ATOM 0 HA LYS A 47 -13.241 -12.356 -9.263 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -15.449 -12.206 -10.314 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -15.574 -12.921 -8.719 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.190 -10.595 -7.849 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -16.303 -10.085 -9.522 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -18.007 -11.849 -9.948 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -17.893 -12.365 -8.277 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -18.581 -10.050 -7.560 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.792 -9.623 -9.246 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -20.883 -10.263 -8.237 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -20.463 -11.371 -9.453 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -20.259 -11.786 -7.819 1.00 2.55 H new ATOM 724 N LYS A 48 -13.303 -9.232 -8.955 1.00 0.36 N ATOM 725 CA LYS A 48 -12.968 -7.932 -9.524 1.00 0.40 C ATOM 726 C LYS A 48 -11.674 -7.982 -10.339 1.00 0.53 C ATOM 727 O LYS A 48 -11.266 -9.040 -10.821 1.00 1.19 O ATOM 728 CB LYS A 48 -12.824 -6.906 -8.404 1.00 0.32 C ATOM 729 CG LYS A 48 -13.962 -5.905 -8.336 1.00 0.73 C ATOM 730 CD LYS A 48 -15.193 -6.507 -7.686 1.00 0.46 C ATOM 731 CE LYS A 48 -14.975 -6.720 -6.198 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.218 -7.173 -5.512 1.00 1.46 N ATOM 0 H LYS A 48 -13.299 -9.252 -7.935 1.00 0.36 H new ATOM 0 HA LYS A 48 -13.776 -7.646 -10.197 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.757 -7.430 -7.451 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -11.886 -6.367 -8.537 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.644 -5.028 -7.772 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -14.210 -5.565 -9.342 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -16.049 -5.850 -7.841 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.431 -7.458 -8.162 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.188 -7.460 -6.049 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.629 -5.791 -5.745 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -16.026 -7.307 -4.499 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.962 -6.456 -5.632 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.535 -8.073 -5.926 1.00 1.46 H new ATOM 746 N ALA A 49 -11.043 -6.816 -10.487 1.00 0.26 N ATOM 747 CA ALA A 49 -9.791 -6.680 -11.228 1.00 0.22 C ATOM 748 C ALA A 49 -8.790 -7.765 -10.866 1.00 0.20 C ATOM 749 O ALA A 49 -8.884 -8.393 -9.812 1.00 0.24 O ATOM 750 CB ALA A 49 -9.172 -5.328 -10.944 1.00 0.21 C ATOM 0 H ALA A 49 -11.387 -5.939 -10.095 1.00 0.26 H new ATOM 0 HA ALA A 49 -10.030 -6.778 -12.287 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -8.239 -5.231 -11.499 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.860 -4.541 -11.252 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.971 -5.237 -9.877 1.00 0.21 H new ATOM 756 N SER A 50 -7.823 -7.973 -11.751 1.00 0.21 N ATOM 757 CA SER A 50 -6.779 -8.955 -11.519 1.00 0.21 C ATOM 758 C SER A 50 -5.742 -8.381 -10.565 1.00 0.18 C ATOM 759 O SER A 50 -5.782 -7.194 -10.244 1.00 0.19 O ATOM 760 CB SER A 50 -6.120 -9.357 -12.840 1.00 0.25 C ATOM 761 OG SER A 50 -5.821 -8.219 -13.627 1.00 0.27 O ATOM 0 H SER A 50 -7.743 -7.473 -12.636 1.00 0.21 H new ATOM 0 HA SER A 50 -7.222 -9.846 -11.073 1.00 0.21 H new ATOM 0 HB2 SER A 50 -5.205 -9.914 -12.639 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.783 -10.022 -13.393 1.00 0.25 H new ATOM 0 HG SER A 50 -5.549 -8.504 -14.524 1.00 0.27 H new ATOM 767 N PHE A 51 -4.819 -9.217 -10.113 1.00 0.19 N ATOM 768 CA PHE A 51 -3.781 -8.766 -9.197 1.00 0.20 C ATOM 769 C PHE A 51 -2.947 -7.656 -9.832 1.00 0.23 C ATOM 770 O PHE A 51 -2.189 -6.978 -9.151 1.00 0.26 O ATOM 771 CB PHE A 51 -2.882 -9.936 -8.785 1.00 0.23 C ATOM 772 CG PHE A 51 -1.963 -9.609 -7.643 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.387 -9.737 -6.330 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.667 -9.185 -7.885 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.537 -9.446 -5.282 1.00 0.97 C ATOM 776 CE2 PHE A 51 0.188 -8.895 -6.841 1.00 1.05 C ATOM 777 CZ PHE A 51 -0.275 -8.979 -5.530 1.00 0.43 C ATOM 0 H PHE A 51 -4.767 -10.204 -10.363 1.00 0.19 H new ATOM 0 HA PHE A 51 -4.264 -8.368 -8.305 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.507 -10.784 -8.507 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -2.286 -10.247 -9.643 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.394 -10.068 -6.124 1.00 0.98 H new ATOM 0 HD2 PHE A 51 -0.321 -9.080 -8.903 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -1.869 -9.587 -4.264 1.00 0.97 H new ATOM 0 HE2 PHE A 51 1.209 -8.605 -7.039 1.00 1.05 H new ATOM 0 HZ PHE A 51 0.361 -8.676 -4.711 1.00 0.43 H new ATOM 787 N GLU A 52 -3.092 -7.473 -11.141 1.00 0.25 N ATOM 788 CA GLU A 52 -2.332 -6.447 -11.849 1.00 0.28 C ATOM 789 C GLU A 52 -3.020 -5.077 -11.811 1.00 0.25 C ATOM 790 O GLU A 52 -2.388 -4.080 -11.468 1.00 0.28 O ATOM 791 CB GLU A 52 -2.064 -6.895 -13.291 1.00 0.33 C ATOM 792 CG GLU A 52 -3.168 -6.552 -14.279 1.00 0.35 C ATOM 793 CD GLU A 52 -2.888 -7.082 -15.673 1.00 0.43 C ATOM 794 OE1 GLU A 52 -2.186 -6.391 -16.441 1.00 0.83 O ATOM 795 OE2 GLU A 52 -3.368 -8.190 -15.993 1.00 0.80 O ATOM 0 H GLU A 52 -3.723 -8.017 -11.729 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.380 -6.325 -11.333 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -1.135 -6.438 -13.632 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.910 -7.974 -13.299 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -4.112 -6.963 -13.921 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -3.288 -5.470 -14.323 1.00 0.35 H new ATOM 802 N GLU A 53 -4.302 -5.028 -12.166 1.00 0.24 N ATOM 803 CA GLU A 53 -5.042 -3.765 -12.163 1.00 0.23 C ATOM 804 C GLU A 53 -5.212 -3.280 -10.744 1.00 0.19 C ATOM 805 O GLU A 53 -5.185 -2.083 -10.468 1.00 0.21 O ATOM 806 CB GLU A 53 -6.422 -3.925 -12.792 1.00 0.27 C ATOM 807 CG GLU A 53 -6.581 -5.241 -13.486 1.00 1.06 C ATOM 808 CD GLU A 53 -7.700 -5.241 -14.510 1.00 1.05 C ATOM 809 OE1 GLU A 53 -7.443 -4.860 -15.670 1.00 1.26 O ATOM 810 OE2 GLU A 53 -8.835 -5.620 -14.148 1.00 1.23 O ATOM 0 H GLU A 53 -4.847 -5.839 -12.457 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.471 -3.045 -12.749 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -7.184 -3.830 -12.019 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.589 -3.118 -13.505 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -5.644 -5.500 -13.980 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.775 -6.015 -12.744 1.00 1.06 H new ATOM 817 N ALA A 54 -5.409 -4.235 -9.853 1.00 0.19 N ATOM 818 CA ALA A 54 -5.588 -3.943 -8.450 1.00 0.16 C ATOM 819 C ALA A 54 -4.343 -3.288 -7.876 1.00 0.18 C ATOM 820 O ALA A 54 -4.426 -2.241 -7.239 1.00 0.17 O ATOM 821 CB ALA A 54 -5.927 -5.214 -7.701 1.00 0.16 C ATOM 0 H ALA A 54 -5.449 -5.228 -10.084 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.414 -3.241 -8.336 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.061 -4.988 -6.643 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -6.848 -5.637 -8.101 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.116 -5.933 -7.819 1.00 0.16 H new ATOM 827 N SER A 55 -3.179 -3.887 -8.110 1.00 0.26 N ATOM 828 CA SER A 55 -1.948 -3.306 -7.601 1.00 0.31 C ATOM 829 C SER A 55 -1.684 -2.001 -8.318 1.00 0.33 C ATOM 830 O SER A 55 -1.246 -1.025 -7.719 1.00 0.39 O ATOM 831 CB SER A 55 -0.755 -4.239 -7.800 1.00 0.43 C ATOM 832 OG SER A 55 -1.112 -5.589 -7.605 1.00 1.20 O ATOM 0 H SER A 55 -3.065 -4.753 -8.636 1.00 0.26 H new ATOM 0 HA SER A 55 -2.070 -3.140 -6.531 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.355 -4.110 -8.806 1.00 0.43 H new ATOM 0 HB3 SER A 55 0.039 -3.968 -7.104 1.00 0.43 H new ATOM 0 HG SER A 55 -1.733 -5.657 -6.850 1.00 1.20 H new ATOM 838 N ASN A 56 -1.953 -2.002 -9.615 1.00 0.32 N ATOM 839 CA ASN A 56 -1.770 -0.818 -10.431 1.00 0.35 C ATOM 840 C ASN A 56 -2.604 0.319 -9.875 1.00 0.30 C ATOM 841 O ASN A 56 -2.154 1.461 -9.803 1.00 0.34 O ATOM 842 CB ASN A 56 -2.157 -1.120 -11.883 1.00 0.40 C ATOM 843 CG ASN A 56 -0.984 -1.616 -12.704 1.00 0.49 C ATOM 844 OD1 ASN A 56 0.164 -1.247 -12.454 1.00 1.19 O ATOM 845 ND2 ASN A 56 -1.266 -2.460 -13.691 1.00 1.19 N ATOM 0 H ASN A 56 -2.300 -2.815 -10.124 1.00 0.32 H new ATOM 0 HA ASN A 56 -0.722 -0.520 -10.411 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -2.949 -1.869 -11.897 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -2.563 -0.219 -12.343 1.00 0.40 H new ATOM 0 HD21 ASN A 56 -0.517 -2.829 -14.277 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -2.232 -2.739 -13.863 1.00 1.19 H new ATOM 852 N GLN A 57 -3.815 -0.016 -9.461 1.00 0.25 N ATOM 853 CA GLN A 57 -4.726 0.957 -8.887 1.00 0.24 C ATOM 854 C GLN A 57 -4.261 1.312 -7.478 1.00 0.20 C ATOM 855 O GLN A 57 -4.522 2.409 -6.986 1.00 0.19 O ATOM 856 CB GLN A 57 -6.148 0.381 -8.862 1.00 0.27 C ATOM 857 CG GLN A 57 -7.249 1.429 -8.893 1.00 0.85 C ATOM 858 CD GLN A 57 -8.374 1.130 -7.921 1.00 1.10 C ATOM 859 OE1 GLN A 57 -8.669 -0.030 -7.631 1.00 1.66 O ATOM 860 NE2 GLN A 57 -9.008 2.179 -7.413 1.00 1.57 N ATOM 0 H GLN A 57 -4.191 -0.963 -9.513 1.00 0.25 H new ATOM 0 HA GLN A 57 -4.732 1.863 -9.493 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.273 -0.285 -9.716 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.266 -0.226 -7.964 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.822 2.404 -8.659 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -7.655 1.493 -9.903 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -8.729 3.123 -7.682 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -9.774 2.042 -6.754 1.00 1.57 H new ATOM 869 N LEU A 58 -3.572 0.365 -6.831 1.00 0.19 N ATOM 870 CA LEU A 58 -3.052 0.578 -5.481 1.00 0.17 C ATOM 871 C LEU A 58 -1.933 1.599 -5.518 1.00 0.17 C ATOM 872 O LEU A 58 -2.009 2.637 -4.864 1.00 0.18 O ATOM 873 CB LEU A 58 -2.531 -0.740 -4.873 1.00 0.19 C ATOM 874 CG LEU A 58 -2.578 -0.865 -3.330 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.473 -1.778 -2.832 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.486 0.494 -2.646 1.00 0.20 C ATOM 0 H LEU A 58 -3.363 -0.554 -7.222 1.00 0.19 H new ATOM 0 HA LEU A 58 -3.866 0.947 -4.856 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.108 -1.561 -5.298 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.498 -0.877 -5.193 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.543 -1.302 -3.072 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.524 -1.852 -1.746 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.595 -2.769 -3.269 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.505 -1.370 -3.123 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.523 0.360 -1.565 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.548 0.977 -2.920 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.322 1.118 -2.963 1.00 0.20 H new ATOM 888 N ILE A 59 -0.901 1.315 -6.306 1.00 0.19 N ATOM 889 CA ILE A 59 0.222 2.221 -6.408 1.00 0.20 C ATOM 890 C ILE A 59 -0.257 3.552 -6.984 1.00 0.18 C ATOM 891 O ILE A 59 0.213 4.619 -6.595 1.00 0.16 O ATOM 892 CB ILE A 59 1.329 1.651 -7.315 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.575 0.175 -6.998 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.609 2.455 -7.153 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.869 -0.662 -8.223 1.00 0.38 C ATOM 0 H ILE A 59 -0.825 0.472 -6.875 1.00 0.19 H new ATOM 0 HA ILE A 59 0.636 2.360 -5.409 1.00 0.20 H new ATOM 0 HB ILE A 59 1.002 1.727 -8.352 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.411 0.095 -6.303 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.699 -0.231 -6.491 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.383 2.041 -7.800 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.424 3.493 -7.428 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.940 2.408 -6.115 1.00 0.32 H new ATOM 0 HD11 ILE A 59 2.033 -1.698 -7.925 1.00 0.38 H new ATOM 0 HD12 ILE A 59 1.024 -0.612 -8.910 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.762 -0.281 -8.718 1.00 0.38 H new ATOM 907 N ASN A 60 -1.203 3.469 -7.931 1.00 0.20 N ATOM 908 CA ASN A 60 -1.777 4.658 -8.557 1.00 0.20 C ATOM 909 C ASN A 60 -2.392 5.560 -7.495 1.00 0.17 C ATOM 910 O ASN A 60 -2.159 6.770 -7.474 1.00 0.18 O ATOM 911 CB ASN A 60 -2.836 4.262 -9.584 1.00 0.22 C ATOM 912 CG ASN A 60 -2.256 4.072 -10.974 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.271 4.713 -11.343 1.00 0.81 O ATOM 914 ND2 ASN A 60 -2.869 3.190 -11.755 1.00 1.05 N ATOM 0 H ASN A 60 -1.584 2.588 -8.277 1.00 0.20 H new ATOM 0 HA ASN A 60 -0.982 5.201 -9.069 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.318 3.338 -9.266 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.609 5.030 -9.618 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -2.527 3.022 -12.701 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -3.682 2.681 -11.409 1.00 1.05 H new ATOM 921 N HIS A 61 -3.192 4.963 -6.623 1.00 0.16 N ATOM 922 CA HIS A 61 -3.812 5.702 -5.540 1.00 0.16 C ATOM 923 C HIS A 61 -2.709 6.286 -4.665 1.00 0.13 C ATOM 924 O HIS A 61 -2.808 7.408 -4.150 1.00 0.12 O ATOM 925 CB HIS A 61 -4.745 4.770 -4.764 1.00 0.20 C ATOM 926 CG HIS A 61 -4.537 4.779 -3.295 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.506 4.108 -2.694 1.00 0.23 N ATOM 928 CD2 HIS A 61 -5.233 5.375 -2.303 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.570 4.285 -1.397 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.609 5.053 -1.127 1.00 0.30 N ATOM 0 H HIS A 61 -3.425 3.970 -6.647 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.419 6.526 -5.915 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.777 5.051 -4.974 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.611 3.753 -5.132 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -6.114 5.989 -2.416 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.887 3.871 -0.670 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.899 5.356 -0.197 1.00 0.30 H new ATOM 939 N ILE A 62 -1.638 5.509 -4.534 1.00 0.14 N ATOM 940 CA ILE A 62 -0.472 5.921 -3.776 1.00 0.13 C ATOM 941 C ILE A 62 0.230 7.062 -4.500 1.00 0.11 C ATOM 942 O ILE A 62 0.951 7.846 -3.894 1.00 0.12 O ATOM 943 CB ILE A 62 0.505 4.746 -3.591 1.00 0.14 C ATOM 944 CG1 ILE A 62 -0.151 3.647 -2.751 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.801 5.218 -2.958 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.366 4.019 -1.299 1.00 0.75 C ATOM 0 H ILE A 62 -1.559 4.581 -4.950 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.799 6.255 -2.792 1.00 0.13 H new ATOM 0 HB ILE A 62 0.747 4.333 -4.570 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -1.113 3.392 -3.195 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.469 2.752 -2.797 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.476 4.371 -2.837 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.268 5.966 -3.599 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.591 5.657 -1.983 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.835 3.186 -0.776 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.594 4.245 -0.835 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -1.012 4.895 -1.240 1.00 0.75 H new ATOM 958 N GLU A 63 0.022 7.137 -5.814 1.00 0.12 N ATOM 959 CA GLU A 63 0.606 8.205 -6.612 1.00 0.13 C ATOM 960 C GLU A 63 -0.140 9.497 -6.333 1.00 0.12 C ATOM 961 O GLU A 63 0.468 10.557 -6.181 1.00 0.11 O ATOM 962 CB GLU A 63 0.564 7.865 -8.102 1.00 0.17 C ATOM 963 CG GLU A 63 1.551 6.783 -8.495 1.00 0.17 C ATOM 964 CD GLU A 63 1.377 6.318 -9.927 1.00 0.21 C ATOM 965 OE1 GLU A 63 1.564 7.143 -10.846 1.00 0.80 O ATOM 966 OE2 GLU A 63 1.045 5.130 -10.131 1.00 0.70 O ATOM 0 H GLU A 63 -0.544 6.473 -6.343 1.00 0.12 H new ATOM 0 HA GLU A 63 1.654 8.324 -6.336 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.443 7.543 -8.366 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.773 8.765 -8.680 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.566 7.158 -8.361 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.434 5.931 -7.825 1.00 0.17 H new ATOM 973 N GLN A 64 -1.468 9.402 -6.272 1.00 0.14 N ATOM 974 CA GLN A 64 -2.288 10.563 -5.956 1.00 0.14 C ATOM 975 C GLN A 64 -1.817 11.115 -4.621 1.00 0.11 C ATOM 976 O GLN A 64 -1.545 12.314 -4.472 1.00 0.10 O ATOM 977 CB GLN A 64 -3.768 10.176 -5.882 1.00 0.18 C ATOM 978 CG GLN A 64 -4.723 11.334 -6.131 1.00 0.91 C ATOM 979 CD GLN A 64 -4.559 12.462 -5.130 1.00 1.57 C ATOM 980 OE1 GLN A 64 -3.784 13.393 -5.349 1.00 2.40 O ATOM 981 NE2 GLN A 64 -5.290 12.383 -4.024 1.00 2.11 N ATOM 0 H GLN A 64 -1.991 8.542 -6.436 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.186 11.318 -6.736 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -3.965 9.392 -6.613 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.974 9.754 -4.899 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.561 11.722 -7.137 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -5.749 10.967 -6.092 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -5.920 11.593 -3.884 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -5.222 13.113 -3.314 1.00 2.11 H new ATOM 990 N PHE A 65 -1.704 10.223 -3.643 1.00 0.11 N ATOM 991 CA PHE A 65 -1.210 10.622 -2.342 1.00 0.11 C ATOM 992 C PHE A 65 0.192 11.211 -2.511 1.00 0.10 C ATOM 993 O PHE A 65 0.472 12.314 -2.056 1.00 0.12 O ATOM 994 CB PHE A 65 -1.175 9.432 -1.373 1.00 0.14 C ATOM 995 CG PHE A 65 0.157 9.264 -0.713 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.611 10.209 0.183 1.00 0.16 C ATOM 997 CD2 PHE A 65 0.932 8.139 -0.955 1.00 0.14 C ATOM 998 CE1 PHE A 65 1.813 10.043 0.826 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.132 7.965 -0.308 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.659 8.994 0.428 1.00 0.16 C ATOM 0 H PHE A 65 -1.945 9.236 -3.729 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.881 11.369 -1.918 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.940 9.568 -0.609 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.425 8.520 -1.915 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.016 11.088 0.381 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.589 7.394 -1.658 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.104 10.709 1.625 1.00 0.18 H new ATOM 0 HE2 PHE A 65 2.656 7.023 -0.379 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.705 8.999 0.697 1.00 0.16 H new ATOM 1010 N LEU A 66 1.074 10.462 -3.172 1.00 0.09 N ATOM 1011 CA LEU A 66 2.439 10.921 -3.386 1.00 0.10 C ATOM 1012 C LEU A 66 2.427 12.271 -4.087 1.00 0.11 C ATOM 1013 O LEU A 66 3.418 13.000 -4.076 1.00 0.17 O ATOM 1014 CB LEU A 66 3.256 9.884 -4.167 1.00 0.11 C ATOM 1015 CG LEU A 66 3.816 8.737 -3.311 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.543 7.717 -4.176 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.749 9.274 -2.226 1.00 0.08 C ATOM 0 H LEU A 66 0.867 9.543 -3.564 1.00 0.09 H new ATOM 0 HA LEU A 66 2.925 11.043 -2.418 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.628 9.462 -4.952 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.085 10.391 -4.660 1.00 0.11 H new ATOM 0 HG LEU A 66 2.975 8.240 -2.828 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.930 6.916 -3.546 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.851 7.301 -4.908 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.370 8.203 -4.694 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.133 8.444 -1.633 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.581 9.803 -2.691 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.199 9.958 -1.579 1.00 0.08 H new ATOM 1029 N ASP A 67 1.297 12.605 -4.701 1.00 0.09 N ATOM 1030 CA ASP A 67 1.155 13.895 -5.344 1.00 0.10 C ATOM 1031 C ASP A 67 0.911 14.937 -4.259 1.00 0.11 C ATOM 1032 O ASP A 67 1.432 16.050 -4.325 1.00 0.13 O ATOM 1033 CB ASP A 67 0.010 13.893 -6.360 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.056 15.183 -7.154 1.00 0.12 C ATOM 1035 OD1 ASP A 67 0.643 15.283 -8.185 1.00 0.18 O ATOM 1036 OD2 ASP A 67 -0.806 16.095 -6.745 1.00 0.17 O ATOM 0 H ASP A 67 0.476 12.003 -4.764 1.00 0.09 H new ATOM 0 HA ASP A 67 2.065 14.129 -5.897 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.136 13.054 -7.044 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.935 13.741 -5.839 1.00 0.11 H new ATOM 1041 N THR A 68 0.106 14.562 -3.256 1.00 0.10 N ATOM 1042 CA THR A 68 -0.163 15.457 -2.129 1.00 0.12 C ATOM 1043 C THR A 68 1.117 15.700 -1.335 1.00 0.13 C ATOM 1044 O THR A 68 2.188 15.221 -1.706 1.00 0.13 O ATOM 1045 CB THR A 68 -1.266 14.915 -1.174 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.889 16.005 -0.487 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.715 13.933 -0.145 1.00 0.13 C ATOM 0 H THR A 68 -0.363 13.658 -3.204 1.00 0.10 H new ATOM 0 HA THR A 68 -0.530 16.391 -2.554 1.00 0.12 H new ATOM 0 HB THR A 68 -1.990 14.383 -1.791 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.584 15.660 0.112 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.525 13.585 0.496 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.267 13.082 -0.658 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.041 14.429 0.463 1.00 0.13 H new ATOM 1055 N ASN A 69 1.005 16.441 -0.240 1.00 0.15 N ATOM 1056 CA ASN A 69 2.160 16.746 0.598 1.00 0.17 C ATOM 1057 C ASN A 69 2.039 16.098 1.977 1.00 0.18 C ATOM 1058 O ASN A 69 2.885 16.309 2.848 1.00 0.20 O ATOM 1059 CB ASN A 69 2.299 18.257 0.745 1.00 0.19 C ATOM 1060 CG ASN A 69 2.751 18.926 -0.539 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.467 18.446 -1.637 1.00 0.91 O ATOM 1062 ND2 ASN A 69 3.458 20.042 -0.405 1.00 1.16 N ATOM 0 H ASN A 69 0.127 16.842 0.089 1.00 0.15 H new ATOM 0 HA ASN A 69 3.048 16.338 0.115 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.342 18.678 1.053 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.014 18.478 1.537 1.00 0.19 H new ATOM 0 HD21 ASN A 69 3.789 20.538 -1.232 1.00 1.16 H new ATOM 0 HD22 ASN A 69 3.670 20.403 0.525 1.00 1.16 H new ATOM 1069 N GLU A 70 0.987 15.311 2.166 1.00 0.17 N ATOM 1070 CA GLU A 70 0.745 14.635 3.439 1.00 0.19 C ATOM 1071 C GLU A 70 1.602 13.379 3.565 1.00 0.17 C ATOM 1072 O GLU A 70 1.664 12.570 2.640 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.735 14.260 3.544 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.674 15.356 3.064 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.979 16.378 4.141 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -2.835 16.094 5.003 1.00 0.73 O ATOM 1077 OE2 GLU A 70 -1.361 17.463 4.122 1.00 0.76 O ATOM 0 H GLU A 70 0.284 15.123 1.452 1.00 0.17 H new ATOM 0 HA GLU A 70 1.014 15.315 4.247 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.915 13.357 2.961 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.968 14.021 4.582 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -1.229 15.860 2.206 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.606 14.906 2.721 1.00 0.22 H new ATOM 1084 N THR A 71 2.265 13.213 4.713 1.00 0.12 N ATOM 1085 CA THR A 71 3.104 12.039 4.929 1.00 0.10 C ATOM 1086 C THR A 71 2.444 10.959 5.791 1.00 0.13 C ATOM 1087 O THR A 71 2.919 9.835 5.795 1.00 0.13 O ATOM 1088 CB THR A 71 4.468 12.375 5.542 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.308 13.207 6.698 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.360 13.062 4.524 1.00 0.11 C ATOM 0 H THR A 71 2.236 13.868 5.494 1.00 0.12 H new ATOM 0 HA THR A 71 3.247 11.646 3.923 1.00 0.10 H new ATOM 0 HB THR A 71 4.943 11.442 5.845 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.188 13.411 7.079 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.323 13.292 4.980 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.511 12.403 3.669 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.887 13.986 4.191 1.00 0.11 H new ATOM 1098 N PRO A 72 1.380 11.235 6.572 1.00 0.17 N ATOM 1099 CA PRO A 72 0.746 10.167 7.334 1.00 0.23 C ATOM 1100 C PRO A 72 0.424 9.021 6.392 1.00 0.17 C ATOM 1101 O PRO A 72 0.296 7.862 6.792 1.00 0.17 O ATOM 1102 CB PRO A 72 -0.536 10.800 7.859 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.246 12.255 7.907 1.00 0.32 C ATOM 1104 CD PRO A 72 0.731 12.538 6.796 1.00 0.18 C ATOM 0 HA PRO A 72 1.368 9.771 8.137 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.380 10.586 7.204 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -0.793 10.415 8.846 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.159 12.836 7.777 1.00 0.32 H new ATOM 0 HG3 PRO A 72 0.175 12.534 8.873 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.226 12.895 5.898 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.453 13.303 7.081 1.00 0.18 H new ATOM 1112 N TYR A 73 0.301 9.394 5.123 1.00 0.16 N ATOM 1113 CA TYR A 73 0.005 8.471 4.045 1.00 0.16 C ATOM 1114 C TYR A 73 1.284 7.858 3.465 1.00 0.13 C ATOM 1115 O TYR A 73 1.218 6.854 2.763 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.774 9.211 2.950 1.00 0.18 C ATOM 1117 CG TYR A 73 -1.991 9.967 3.455 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.603 9.635 4.661 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.524 11.017 2.720 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -3.709 10.328 5.115 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.631 11.716 3.168 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.219 11.365 4.365 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.320 12.057 4.814 1.00 0.50 O ATOM 0 H TYR A 73 0.406 10.361 4.815 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.598 7.654 4.441 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.104 9.913 2.454 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -1.094 8.491 2.197 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.207 8.822 5.251 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -2.066 11.293 1.782 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.171 10.058 6.053 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -4.032 12.531 2.584 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.552 12.757 4.169 1.00 0.50 H new ATOM 1133 N PHE A 74 2.448 8.474 3.732 1.00 0.11 N ATOM 1134 CA PHE A 74 3.715 7.946 3.216 1.00 0.10 C ATOM 1135 C PHE A 74 4.141 6.704 3.997 1.00 0.09 C ATOM 1136 O PHE A 74 4.703 5.762 3.430 1.00 0.08 O ATOM 1137 CB PHE A 74 4.798 9.059 3.100 1.00 0.11 C ATOM 1138 CG PHE A 74 5.752 9.321 4.246 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.366 8.947 5.527 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.004 9.881 4.080 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.202 9.128 6.608 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.849 10.060 5.162 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.561 9.919 6.278 1.00 0.17 C ATOM 0 H PHE A 74 2.535 9.322 4.292 1.00 0.11 H new ATOM 0 HA PHE A 74 3.572 7.606 2.191 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.403 8.830 2.223 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.278 9.994 2.893 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.392 8.506 5.679 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.327 10.183 3.095 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.963 8.767 7.597 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.865 10.357 4.949 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.186 10.307 7.068 1.00 0.17 H new ATOM 1153 N MET A 75 3.836 6.677 5.288 1.00 0.09 N ATOM 1154 CA MET A 75 4.115 5.499 6.089 1.00 0.09 C ATOM 1155 C MET A 75 3.069 4.482 5.697 1.00 0.09 C ATOM 1156 O MET A 75 3.344 3.297 5.506 1.00 0.11 O ATOM 1157 CB MET A 75 3.986 5.792 7.587 1.00 0.14 C ATOM 1158 CG MET A 75 4.751 7.006 8.057 1.00 0.30 C ATOM 1159 SD MET A 75 4.805 7.133 9.856 1.00 0.52 S ATOM 1160 CE MET A 75 5.676 8.684 10.066 1.00 1.81 C ATOM 0 H MET A 75 3.401 7.448 5.795 1.00 0.09 H new ATOM 0 HA MET A 75 5.134 5.153 5.914 1.00 0.09 H new ATOM 0 HB2 MET A 75 2.932 5.927 7.828 1.00 0.14 H new ATOM 0 HB3 MET A 75 4.332 4.922 8.145 1.00 0.14 H new ATOM 0 HG2 MET A 75 5.768 6.964 7.668 1.00 0.30 H new ATOM 0 HG3 MET A 75 4.290 7.904 7.646 1.00 0.30 H new ATOM 0 HE1 MET A 75 5.755 8.916 11.128 1.00 1.81 H new ATOM 0 HE2 MET A 75 6.675 8.601 9.637 1.00 1.81 H new ATOM 0 HE3 MET A 75 5.129 9.480 9.561 1.00 1.81 H new ATOM 1170 N LYS A 76 1.850 4.991 5.573 1.00 0.09 N ATOM 1171 CA LYS A 76 0.723 4.191 5.167 1.00 0.10 C ATOM 1172 C LYS A 76 0.978 3.674 3.758 1.00 0.10 C ATOM 1173 O LYS A 76 0.473 2.621 3.365 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.552 5.028 5.227 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.790 4.303 4.736 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.544 5.123 3.701 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.645 5.524 2.540 1.00 0.33 C ATOM 1178 NZ LYS A 76 -2.427 5.961 1.352 1.00 0.96 N ATOM 0 H LYS A 76 1.624 5.969 5.753 1.00 0.09 H new ATOM 0 HA LYS A 76 0.596 3.342 5.839 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.716 5.349 6.256 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.411 5.929 4.631 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.504 3.344 4.304 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.446 4.089 5.580 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.389 4.547 3.325 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.952 6.017 4.172 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -0.984 6.331 2.856 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -1.010 4.681 2.266 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -2.244 5.314 0.559 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -3.441 5.950 1.581 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -2.143 6.925 1.085 1.00 0.96 H new ATOM 1192 N SER A 77 1.768 4.435 2.996 1.00 0.09 N ATOM 1193 CA SER A 77 2.134 4.027 1.651 1.00 0.09 C ATOM 1194 C SER A 77 2.989 2.794 1.782 1.00 0.08 C ATOM 1195 O SER A 77 2.756 1.786 1.122 1.00 0.09 O ATOM 1196 CB SER A 77 2.906 5.121 0.909 1.00 0.10 C ATOM 1197 OG SER A 77 4.299 4.999 1.124 1.00 0.10 O ATOM 0 H SER A 77 2.160 5.329 3.291 1.00 0.09 H new ATOM 0 HA SER A 77 1.232 3.832 1.070 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.693 5.060 -0.158 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.568 6.101 1.246 1.00 0.10 H new ATOM 0 HG SER A 77 4.584 5.649 1.800 1.00 0.10 H new ATOM 1203 N ILE A 78 3.989 2.884 2.659 1.00 0.09 N ATOM 1204 CA ILE A 78 4.853 1.751 2.924 1.00 0.09 C ATOM 1205 C ILE A 78 3.979 0.554 3.265 1.00 0.11 C ATOM 1206 O ILE A 78 4.269 -0.581 2.889 1.00 0.12 O ATOM 1207 CB ILE A 78 5.839 2.039 4.084 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.254 1.678 3.667 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.456 1.283 5.349 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.770 2.556 2.567 1.00 0.13 C ATOM 0 H ILE A 78 4.214 3.725 3.190 1.00 0.09 H new ATOM 0 HA ILE A 78 5.453 1.548 2.037 1.00 0.09 H new ATOM 0 HB ILE A 78 5.788 3.105 4.307 1.00 0.08 H new ATOM 0 HG12 ILE A 78 7.915 1.756 4.530 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.279 0.639 3.340 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.171 1.511 6.140 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.457 1.585 5.665 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.465 0.211 5.149 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.785 2.255 2.307 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.127 2.459 1.692 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.773 3.594 2.901 1.00 0.13 H new ATOM 1222 N ASP A 79 2.889 0.839 3.973 1.00 0.11 N ATOM 1223 CA ASP A 79 1.938 -0.184 4.369 1.00 0.13 C ATOM 1224 C ASP A 79 1.218 -0.757 3.151 1.00 0.13 C ATOM 1225 O ASP A 79 0.927 -1.951 3.106 1.00 0.16 O ATOM 1226 CB ASP A 79 0.932 0.386 5.369 1.00 0.13 C ATOM 1227 CG ASP A 79 1.383 0.215 6.807 1.00 0.15 C ATOM 1228 OD1 ASP A 79 2.101 1.100 7.312 1.00 0.69 O ATOM 1229 OD2 ASP A 79 1.018 -0.808 7.424 1.00 0.68 O ATOM 0 H ASP A 79 2.645 1.779 4.284 1.00 0.11 H new ATOM 0 HA ASP A 79 2.486 -0.994 4.850 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.780 1.445 5.163 1.00 0.13 H new ATOM 0 HB3 ASP A 79 -0.031 -0.107 5.232 1.00 0.13 H new ATOM 1234 N CYS A 80 0.914 0.096 2.171 1.00 0.14 N ATOM 1235 CA CYS A 80 0.260 -0.375 0.954 1.00 0.16 C ATOM 1236 C CYS A 80 1.200 -1.330 0.244 1.00 0.14 C ATOM 1237 O CYS A 80 0.806 -2.413 -0.213 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.099 0.785 0.023 1.00 0.23 C ATOM 1239 SG CYS A 80 1.190 1.188 -1.181 1.00 0.65 S ATOM 0 H CYS A 80 1.107 1.097 2.196 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.669 -0.878 1.225 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -1.016 0.538 -0.511 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.309 1.669 0.625 1.00 0.23 H new ATOM 0 HG CYS A 80 2.164 1.807 -0.583 1.00 0.65 H new ATOM 1245 N ILE A 81 2.457 -0.906 0.150 1.00 0.16 N ATOM 1246 CA ILE A 81 3.485 -1.720 -0.447 1.00 0.17 C ATOM 1247 C ILE A 81 3.464 -3.058 0.269 1.00 0.17 C ATOM 1248 O ILE A 81 3.575 -4.122 -0.332 1.00 0.19 O ATOM 1249 CB ILE A 81 4.881 -1.084 -0.264 1.00 0.18 C ATOM 1250 CG1 ILE A 81 5.138 -0.012 -1.322 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.970 -2.146 -0.284 1.00 0.20 C ATOM 1252 CD1 ILE A 81 5.009 1.394 -0.783 1.00 0.32 C ATOM 0 H ILE A 81 2.779 0.002 0.484 1.00 0.16 H new ATOM 0 HA ILE A 81 3.297 -1.821 -1.516 1.00 0.17 H new ATOM 0 HB ILE A 81 4.904 -0.600 0.713 1.00 0.18 H new ATOM 0 HG12 ILE A 81 6.139 -0.147 -1.732 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.435 -0.146 -2.145 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.943 -1.672 -0.153 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.801 -2.856 0.525 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.948 -2.672 -1.239 1.00 0.20 H new ATOM 0 HD11 ILE A 81 5.203 2.109 -1.582 1.00 0.32 H new ATOM 0 HD12 ILE A 81 4.001 1.545 -0.398 1.00 0.32 H new ATOM 0 HD13 ILE A 81 5.730 1.543 0.020 1.00 0.32 H new ATOM 1264 N ARG A 82 3.308 -2.949 1.587 1.00 0.18 N ATOM 1265 CA ARG A 82 3.236 -4.091 2.482 1.00 0.20 C ATOM 1266 C ARG A 82 1.994 -4.917 2.196 1.00 0.26 C ATOM 1267 O ARG A 82 1.989 -6.129 2.388 1.00 0.36 O ATOM 1268 CB ARG A 82 3.201 -3.593 3.929 1.00 0.18 C ATOM 1269 CG ARG A 82 4.483 -3.815 4.701 1.00 0.18 C ATOM 1270 CD ARG A 82 5.423 -2.620 4.622 1.00 0.16 C ATOM 1271 NE ARG A 82 6.488 -2.733 5.618 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.523 -1.907 5.700 1.00 0.92 C ATOM 1273 NH1 ARG A 82 7.647 -0.908 4.846 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.438 -2.085 6.644 1.00 0.85 N ATOM 0 H ARG A 82 3.228 -2.051 2.065 1.00 0.18 H new ATOM 0 HA ARG A 82 4.112 -4.720 2.326 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.973 -2.527 3.927 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.386 -4.093 4.452 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.245 -4.018 5.745 1.00 0.18 H new ATOM 0 HG3 ARG A 82 4.990 -4.698 4.312 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.857 -2.558 3.624 1.00 0.16 H new ATOM 0 HD3 ARG A 82 4.863 -1.699 4.784 1.00 0.16 H new ATOM 0 HE ARG A 82 6.431 -3.496 6.293 1.00 0.33 H new ATOM 0 HH11 ARG A 82 6.945 -0.768 4.119 1.00 2.05 H new ATOM 0 HH12 ARG A 82 8.445 -0.276 4.913 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.345 -2.856 7.305 1.00 0.85 H new ATOM 0 HH22 ARG A 82 9.234 -1.451 6.708 1.00 0.85 H new ATOM 1288 N ALA A 83 0.944 -4.247 1.740 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.307 -4.917 1.430 1.00 0.27 C ATOM 1290 C ALA A 83 -0.150 -5.878 0.269 1.00 0.31 C ATOM 1291 O ALA A 83 -0.520 -7.045 0.365 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.396 -3.905 1.107 1.00 0.25 C ATOM 0 H ALA A 83 0.936 -3.240 1.577 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.595 -5.486 2.314 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.324 -4.429 0.878 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.551 -3.251 1.965 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -1.094 -3.308 0.246 1.00 0.25 H new ATOM 1298 N PHE A 84 0.410 -5.387 -0.831 1.00 0.30 N ATOM 1299 CA PHE A 84 0.560 -6.220 -2.016 1.00 0.40 C ATOM 1300 C PHE A 84 1.886 -6.964 -2.097 1.00 0.36 C ATOM 1301 O PHE A 84 2.008 -7.907 -2.876 1.00 0.36 O ATOM 1302 CB PHE A 84 0.302 -5.408 -3.273 1.00 0.65 C ATOM 1303 CG PHE A 84 -1.142 -5.450 -3.650 1.00 1.18 C ATOM 1304 CD1 PHE A 84 -2.111 -5.039 -2.760 1.00 2.05 C ATOM 1305 CD2 PHE A 84 -1.528 -5.871 -4.912 1.00 2.00 C ATOM 1306 CE1 PHE A 84 -3.443 -5.047 -3.115 1.00 3.01 C ATOM 1307 CE2 PHE A 84 -2.859 -5.885 -5.271 1.00 3.01 C ATOM 1308 CZ PHE A 84 -3.825 -5.587 -4.327 1.00 3.37 C ATOM 0 H PHE A 84 0.761 -4.434 -0.926 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.196 -7.001 -1.931 1.00 0.40 H new ATOM 0 HB2 PHE A 84 0.610 -4.375 -3.112 1.00 0.65 H new ATOM 0 HB3 PHE A 84 0.907 -5.797 -4.092 1.00 0.65 H new ATOM 0 HD1 PHE A 84 -1.823 -4.707 -1.773 1.00 2.05 H new ATOM 0 HD2 PHE A 84 -0.779 -6.191 -5.621 1.00 2.00 H new ATOM 0 HE1 PHE A 84 -4.185 -4.633 -2.448 1.00 3.01 H new ATOM 0 HE2 PHE A 84 -3.146 -6.127 -6.284 1.00 3.01 H new ATOM 0 HZ PHE A 84 -4.868 -5.775 -4.536 1.00 3.37 H new ATOM 1318 N ARG A 85 2.882 -6.558 -1.326 1.00 0.39 N ATOM 1319 CA ARG A 85 4.148 -7.275 -1.351 1.00 0.43 C ATOM 1320 C ARG A 85 3.914 -8.661 -0.764 1.00 0.38 C ATOM 1321 O ARG A 85 4.422 -9.671 -1.262 1.00 0.37 O ATOM 1322 CB ARG A 85 5.237 -6.530 -0.573 1.00 0.56 C ATOM 1323 CG ARG A 85 5.087 -6.600 0.936 1.00 0.88 C ATOM 1324 CD ARG A 85 6.239 -5.897 1.638 1.00 0.72 C ATOM 1325 NE ARG A 85 7.509 -6.585 1.429 1.00 1.07 N ATOM 1326 CZ ARG A 85 8.589 -6.389 2.181 1.00 1.14 C ATOM 1327 NH1 ARG A 85 8.547 -5.537 3.197 1.00 1.31 N ATOM 1328 NH2 ARG A 85 9.710 -7.048 1.920 1.00 1.75 N ATOM 0 H ARG A 85 2.844 -5.760 -0.692 1.00 0.39 H new ATOM 0 HA ARG A 85 4.501 -7.353 -2.379 1.00 0.43 H new ATOM 0 HB2 ARG A 85 6.209 -6.940 -0.849 1.00 0.56 H new ATOM 0 HB3 ARG A 85 5.234 -5.484 -0.878 1.00 0.56 H new ATOM 0 HG2 ARG A 85 4.144 -6.141 1.232 1.00 0.88 H new ATOM 0 HG3 ARG A 85 5.047 -7.642 1.252 1.00 0.88 H new ATOM 0 HD2 ARG A 85 6.317 -4.874 1.271 1.00 0.72 H new ATOM 0 HD3 ARG A 85 6.030 -5.838 2.706 1.00 0.72 H new ATOM 0 HE ARG A 85 7.572 -7.255 0.662 1.00 1.07 H new ATOM 0 HH11 ARG A 85 7.686 -5.031 3.403 1.00 1.31 H new ATOM 0 HH12 ARG A 85 9.376 -5.388 3.772 1.00 1.31 H new ATOM 0 HH21 ARG A 85 9.745 -7.706 1.142 1.00 1.75 H new ATOM 0 HH22 ARG A 85 10.537 -6.896 2.498 1.00 1.75 H new ATOM 1342 N GLU A 86 3.095 -8.692 0.285 1.00 0.38 N ATOM 1343 CA GLU A 86 2.752 -9.929 0.960 1.00 0.36 C ATOM 1344 C GLU A 86 1.702 -10.695 0.156 1.00 0.31 C ATOM 1345 O GLU A 86 1.847 -11.892 -0.082 1.00 0.44 O ATOM 1346 CB GLU A 86 2.246 -9.634 2.378 1.00 0.41 C ATOM 1347 CG GLU A 86 0.901 -8.932 2.423 1.00 1.13 C ATOM 1348 CD GLU A 86 0.300 -8.913 3.814 1.00 1.53 C ATOM 1349 OE1 GLU A 86 -0.436 -9.863 4.156 1.00 1.91 O ATOM 1350 OE2 GLU A 86 0.563 -7.948 4.561 1.00 1.89 O ATOM 0 H GLU A 86 2.656 -7.863 0.685 1.00 0.38 H new ATOM 0 HA GLU A 86 3.644 -10.551 1.037 1.00 0.36 H new ATOM 0 HB2 GLU A 86 2.173 -10.572 2.928 1.00 0.41 H new ATOM 0 HB3 GLU A 86 2.983 -9.018 2.894 1.00 0.41 H new ATOM 0 HG2 GLU A 86 1.018 -7.908 2.068 1.00 1.13 H new ATOM 0 HG3 GLU A 86 0.212 -9.430 1.740 1.00 1.13 H new ATOM 1357 N GLU A 87 0.653 -9.994 -0.274 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.409 -10.612 -1.063 1.00 0.15 C ATOM 1359 C GLU A 87 0.172 -11.272 -2.299 1.00 0.14 C ATOM 1360 O GLU A 87 -0.221 -12.375 -2.655 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.456 -9.574 -1.472 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.412 -9.191 -0.353 1.00 0.24 C ATOM 1363 CD GLU A 87 -3.334 -10.328 0.046 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -2.867 -11.253 0.742 1.00 1.06 O ATOM 1365 OE2 GLU A 87 -4.520 -10.295 -0.343 1.00 1.83 O ATOM 0 H GLU A 87 0.517 -9.000 -0.089 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.893 -11.370 -0.447 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.946 -8.677 -1.824 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -2.032 -9.964 -2.311 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -1.837 -8.873 0.517 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.011 -8.337 -0.669 1.00 0.24 H new ATOM 1372 N ALA A 88 1.111 -10.591 -2.953 1.00 0.18 N ATOM 1373 CA ALA A 88 1.743 -11.141 -4.146 1.00 0.17 C ATOM 1374 C ALA A 88 2.284 -12.529 -3.847 1.00 0.17 C ATOM 1375 O ALA A 88 2.130 -13.452 -4.645 1.00 0.18 O ATOM 1376 CB ALA A 88 2.854 -10.227 -4.638 1.00 0.19 C ATOM 0 H ALA A 88 1.447 -9.668 -2.679 1.00 0.18 H new ATOM 0 HA ALA A 88 0.996 -11.215 -4.937 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.311 -10.657 -5.529 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.440 -9.248 -4.880 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.608 -10.119 -3.859 1.00 0.19 H new ATOM 1382 N ILE A 89 2.927 -12.665 -2.690 1.00 0.20 N ATOM 1383 CA ILE A 89 3.455 -13.954 -2.268 1.00 0.23 C ATOM 1384 C ILE A 89 2.318 -14.969 -2.199 1.00 0.24 C ATOM 1385 O ILE A 89 2.477 -16.133 -2.564 1.00 0.31 O ATOM 1386 CB ILE A 89 4.148 -13.848 -0.890 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.597 -13.381 -1.062 1.00 0.74 C ATOM 1388 CG2 ILE A 89 4.089 -15.175 -0.144 1.00 0.60 C ATOM 1389 CD1 ILE A 89 6.316 -13.126 0.245 1.00 1.52 C ATOM 0 H ILE A 89 3.093 -11.902 -2.034 1.00 0.20 H new ATOM 0 HA ILE A 89 4.198 -14.279 -2.996 1.00 0.23 H new ATOM 0 HB ILE A 89 3.614 -13.109 -0.292 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.147 -14.133 -1.627 1.00 0.74 H new ATOM 0 HG13 ILE A 89 5.606 -12.467 -1.655 1.00 0.74 H new ATOM 0 HG21 ILE A 89 4.584 -15.072 0.822 1.00 0.60 H new ATOM 0 HG22 ILE A 89 3.048 -15.460 0.010 1.00 0.60 H new ATOM 0 HG23 ILE A 89 4.593 -15.944 -0.729 1.00 0.60 H new ATOM 0 HD11 ILE A 89 7.336 -12.799 0.042 1.00 1.52 H new ATOM 0 HD12 ILE A 89 5.791 -12.351 0.804 1.00 1.52 H new ATOM 0 HD13 ILE A 89 6.340 -14.044 0.832 1.00 1.52 H new ATOM 1401 N LYS A 90 1.171 -14.498 -1.726 1.00 0.24 N ATOM 1402 CA LYS A 90 -0.023 -15.326 -1.603 1.00 0.29 C ATOM 1403 C LYS A 90 -0.824 -15.364 -2.905 1.00 0.30 C ATOM 1404 O LYS A 90 -1.755 -16.158 -3.045 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.904 -14.814 -0.458 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.665 -15.518 0.873 1.00 0.33 C ATOM 1407 CD LYS A 90 0.790 -15.461 1.305 1.00 0.66 C ATOM 1408 CE LYS A 90 1.167 -14.077 1.797 1.00 1.74 C ATOM 1409 NZ LYS A 90 0.535 -13.760 3.106 1.00 2.42 N ATOM 0 H LYS A 90 1.042 -13.534 -1.418 1.00 0.24 H new ATOM 0 HA LYS A 90 0.302 -16.343 -1.384 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -0.729 -13.746 -0.329 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.951 -14.934 -0.738 1.00 0.35 H new ATOM 0 HG2 LYS A 90 -1.287 -15.059 1.641 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.976 -16.559 0.791 1.00 0.33 H new ATOM 0 HD2 LYS A 90 0.965 -16.190 2.096 1.00 0.66 H new ATOM 0 HD3 LYS A 90 1.431 -15.738 0.468 1.00 0.66 H new ATOM 0 HE2 LYS A 90 2.251 -14.008 1.892 1.00 1.74 H new ATOM 0 HE3 LYS A 90 0.864 -13.335 1.059 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 1.005 -12.933 3.527 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 -0.473 -13.550 2.963 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 0.631 -14.575 3.745 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.460 -14.504 -3.851 1.00 0.18 N ATOM 1424 CA PHE A 91 -1.159 -14.428 -5.129 1.00 0.19 C ATOM 1425 C PHE A 91 -0.250 -14.822 -6.290 1.00 0.20 C ATOM 1426 O PHE A 91 -0.566 -14.561 -7.452 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.724 -13.022 -5.337 1.00 0.21 C ATOM 1428 CG PHE A 91 -3.068 -12.838 -4.692 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -3.161 -12.446 -3.368 1.00 0.73 C ATOM 1430 CD2 PHE A 91 -4.233 -13.047 -5.409 1.00 0.83 C ATOM 1431 CE1 PHE A 91 -4.392 -12.266 -2.772 1.00 0.74 C ATOM 1432 CE2 PHE A 91 -5.468 -12.868 -4.819 1.00 0.90 C ATOM 1433 CZ PHE A 91 -5.554 -12.514 -3.501 1.00 0.43 C ATOM 0 H PHE A 91 0.316 -13.849 -3.756 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.984 -15.140 -5.105 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -1.026 -12.290 -4.930 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.807 -12.822 -6.405 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -2.261 -12.279 -2.795 1.00 0.73 H new ATOM 0 HD2 PHE A 91 -4.175 -13.354 -6.443 1.00 0.83 H new ATOM 0 HE1 PHE A 91 -4.455 -11.935 -1.746 1.00 0.74 H new ATOM 0 HE2 PHE A 91 -6.368 -13.008 -5.399 1.00 0.90 H new ATOM 0 HZ PHE A 91 -6.520 -12.427 -3.026 1.00 0.43 H new ATOM 1443 N SER A 92 0.871 -15.462 -5.964 1.00 0.20 N ATOM 1444 CA SER A 92 1.834 -15.907 -6.970 1.00 0.23 C ATOM 1445 C SER A 92 2.107 -14.818 -8.003 1.00 0.27 C ATOM 1446 O SER A 92 1.661 -14.908 -9.147 1.00 0.61 O ATOM 1447 CB SER A 92 1.324 -17.169 -7.665 1.00 0.24 C ATOM 1448 OG SER A 92 1.139 -18.225 -6.739 1.00 0.25 O ATOM 0 H SER A 92 1.136 -15.685 -5.005 1.00 0.20 H new ATOM 0 HA SER A 92 2.771 -16.129 -6.459 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.381 -16.954 -8.169 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.033 -17.476 -8.434 1.00 0.24 H new ATOM 0 HG SER A 92 0.811 -19.019 -7.210 1.00 0.25 H new ATOM 1454 N GLU A 93 2.840 -13.790 -7.590 1.00 0.20 N ATOM 1455 CA GLU A 93 3.173 -12.683 -8.477 1.00 0.18 C ATOM 1456 C GLU A 93 4.494 -12.039 -8.070 1.00 0.18 C ATOM 1457 O GLU A 93 4.521 -11.080 -7.297 1.00 0.19 O ATOM 1458 CB GLU A 93 2.050 -11.642 -8.469 1.00 0.19 C ATOM 1459 CG GLU A 93 0.891 -11.991 -9.389 1.00 0.27 C ATOM 1460 CD GLU A 93 1.301 -12.042 -10.848 1.00 0.74 C ATOM 1461 OE1 GLU A 93 1.248 -10.989 -11.516 1.00 1.46 O ATOM 1462 OE2 GLU A 93 1.676 -13.135 -11.321 1.00 0.96 O ATOM 0 H GLU A 93 3.215 -13.701 -6.646 1.00 0.20 H new ATOM 0 HA GLU A 93 3.283 -13.076 -9.488 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.675 -11.532 -7.451 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.459 -10.676 -8.764 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.478 -12.957 -9.097 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.098 -11.254 -9.264 1.00 0.27 H new ATOM 1469 N GLU A 94 5.592 -12.580 -8.592 1.00 0.21 N ATOM 1470 CA GLU A 94 6.922 -12.069 -8.282 1.00 0.24 C ATOM 1471 C GLU A 94 7.246 -10.831 -9.111 1.00 0.25 C ATOM 1472 O GLU A 94 7.828 -9.871 -8.606 1.00 0.31 O ATOM 1473 CB GLU A 94 7.977 -13.153 -8.523 1.00 0.28 C ATOM 1474 CG GLU A 94 7.966 -13.715 -9.936 1.00 0.33 C ATOM 1475 CD GLU A 94 8.999 -14.806 -10.138 1.00 0.92 C ATOM 1476 OE1 GLU A 94 8.679 -15.983 -9.866 1.00 1.46 O ATOM 1477 OE2 GLU A 94 10.127 -14.483 -10.565 1.00 1.53 O ATOM 0 H GLU A 94 5.585 -13.374 -9.233 1.00 0.21 H new ATOM 0 HA GLU A 94 6.935 -11.785 -7.230 1.00 0.24 H new ATOM 0 HB2 GLU A 94 8.964 -12.740 -8.314 1.00 0.28 H new ATOM 0 HB3 GLU A 94 7.816 -13.967 -7.817 1.00 0.28 H new ATOM 0 HG2 GLU A 94 6.975 -14.112 -10.157 1.00 0.33 H new ATOM 0 HG3 GLU A 94 8.152 -12.908 -10.645 1.00 0.33 H new ATOM 1484 N GLN A 95 6.866 -10.857 -10.385 1.00 0.25 N ATOM 1485 CA GLN A 95 7.117 -9.734 -11.279 1.00 0.28 C ATOM 1486 C GLN A 95 6.414 -8.477 -10.778 1.00 0.23 C ATOM 1487 O GLN A 95 6.985 -7.386 -10.790 1.00 0.20 O ATOM 1488 CB GLN A 95 6.658 -10.071 -12.699 1.00 0.33 C ATOM 1489 CG GLN A 95 5.190 -10.456 -12.792 1.00 0.73 C ATOM 1490 CD GLN A 95 4.788 -10.907 -14.185 1.00 0.78 C ATOM 1491 OE1 GLN A 95 3.889 -11.731 -14.348 1.00 1.54 O ATOM 1492 NE2 GLN A 95 5.456 -10.368 -15.200 1.00 1.03 N ATOM 0 H GLN A 95 6.384 -11.643 -10.820 1.00 0.25 H new ATOM 0 HA GLN A 95 8.190 -9.542 -11.295 1.00 0.28 H new ATOM 0 HB2 GLN A 95 6.841 -9.211 -13.344 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.265 -10.892 -13.082 1.00 0.33 H new ATOM 0 HG2 GLN A 95 4.983 -11.257 -12.082 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.576 -9.604 -12.499 1.00 0.73 H new ATOM 0 HE21 GLN A 95 6.195 -9.688 -15.021 1.00 1.03 H new ATOM 0 HE22 GLN A 95 5.230 -10.634 -16.158 1.00 1.03 H new ATOM 1501 N ARG A 96 5.172 -8.643 -10.335 1.00 0.25 N ATOM 1502 CA ARG A 96 4.389 -7.528 -9.820 1.00 0.22 C ATOM 1503 C ARG A 96 5.114 -6.854 -8.665 1.00 0.20 C ATOM 1504 O ARG A 96 4.932 -5.663 -8.414 1.00 0.26 O ATOM 1505 CB ARG A 96 3.016 -8.021 -9.352 1.00 0.25 C ATOM 1506 CG ARG A 96 1.845 -7.396 -10.095 1.00 0.95 C ATOM 1507 CD ARG A 96 1.504 -6.015 -9.556 1.00 0.63 C ATOM 1508 NE ARG A 96 2.572 -5.047 -9.796 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.357 -3.781 -10.140 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.120 -3.338 -10.322 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.381 -2.956 -10.310 1.00 2.99 N ATOM 0 H ARG A 96 4.687 -9.540 -10.323 1.00 0.25 H new ATOM 0 HA ARG A 96 4.256 -6.802 -10.622 1.00 0.22 H new ATOM 0 HB2 ARG A 96 2.971 -9.104 -9.470 1.00 0.25 H new ATOM 0 HB3 ARG A 96 2.910 -7.812 -8.288 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.085 -7.323 -11.156 1.00 0.95 H new ATOM 0 HG3 ARG A 96 0.973 -8.045 -10.010 1.00 0.95 H new ATOM 0 HD2 ARG A 96 0.585 -5.662 -10.023 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.312 -6.083 -8.485 1.00 0.63 H new ATOM 0 HE ARG A 96 3.537 -5.360 -9.694 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.329 -3.970 -10.198 1.00 2.57 H new ATOM 0 HH12 ARG A 96 0.960 -2.366 -10.586 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.335 -3.293 -10.177 1.00 2.99 H new ATOM 0 HH22 ARG A 96 3.215 -1.985 -10.574 1.00 2.99 H new ATOM 1525 N PHE A 97 5.946 -7.622 -7.974 1.00 0.27 N ATOM 1526 CA PHE A 97 6.697 -7.102 -6.841 1.00 0.31 C ATOM 1527 C PHE A 97 7.782 -6.138 -7.309 1.00 0.25 C ATOM 1528 O PHE A 97 7.777 -4.960 -6.946 1.00 0.22 O ATOM 1529 CB PHE A 97 7.317 -8.260 -6.050 1.00 0.45 C ATOM 1530 CG PHE A 97 7.732 -7.917 -4.642 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.587 -6.854 -4.383 1.00 0.94 C ATOM 1532 CD2 PHE A 97 7.276 -8.675 -3.576 1.00 1.29 C ATOM 1533 CE1 PHE A 97 8.973 -6.557 -3.092 1.00 0.92 C ATOM 1534 CE2 PHE A 97 7.660 -8.381 -2.282 1.00 1.39 C ATOM 1535 CZ PHE A 97 8.510 -7.322 -2.039 1.00 0.67 C ATOM 0 H PHE A 97 6.117 -8.606 -8.179 1.00 0.27 H new ATOM 0 HA PHE A 97 6.013 -6.555 -6.192 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.600 -9.080 -6.012 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.190 -8.625 -6.592 1.00 0.45 H new ATOM 0 HD1 PHE A 97 8.954 -6.253 -5.202 1.00 0.94 H new ATOM 0 HD2 PHE A 97 6.612 -9.507 -3.759 1.00 1.29 H new ATOM 0 HE1 PHE A 97 9.637 -5.726 -2.905 1.00 0.92 H new ATOM 0 HE2 PHE A 97 7.295 -8.980 -1.461 1.00 1.39 H new ATOM 0 HZ PHE A 97 8.813 -7.092 -1.028 1.00 0.67 H new ATOM 1545 N ASN A 98 8.707 -6.639 -8.120 1.00 0.28 N ATOM 1546 CA ASN A 98 9.785 -5.806 -8.631 1.00 0.26 C ATOM 1547 C ASN A 98 9.218 -4.699 -9.502 1.00 0.21 C ATOM 1548 O ASN A 98 9.872 -3.690 -9.743 1.00 0.21 O ATOM 1549 CB ASN A 98 10.799 -6.640 -9.420 1.00 0.34 C ATOM 1550 CG ASN A 98 10.143 -7.568 -10.422 1.00 0.43 C ATOM 1551 OD1 ASN A 98 9.847 -7.176 -11.551 1.00 1.03 O ATOM 1552 ND2 ASN A 98 9.922 -8.812 -10.015 1.00 1.22 N ATOM 0 H ASN A 98 8.731 -7.609 -8.435 1.00 0.28 H new ATOM 0 HA ASN A 98 10.305 -5.360 -7.783 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.483 -5.972 -9.944 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.398 -7.228 -8.725 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.491 -9.486 -10.647 1.00 1.22 H new ATOM 0 HD22 ASN A 98 10.184 -9.094 -9.070 1.00 1.22 H new ATOM 1559 N ASN A 99 7.990 -4.890 -9.970 1.00 0.18 N ATOM 1560 CA ASN A 99 7.348 -3.896 -10.810 1.00 0.20 C ATOM 1561 C ASN A 99 6.852 -2.718 -9.983 1.00 0.19 C ATOM 1562 O ASN A 99 7.155 -1.573 -10.301 1.00 0.24 O ATOM 1563 CB ASN A 99 6.191 -4.514 -11.596 1.00 0.22 C ATOM 1564 CG ASN A 99 5.721 -3.624 -12.732 1.00 0.63 C ATOM 1565 OD1 ASN A 99 4.842 -2.782 -12.553 1.00 1.41 O ATOM 1566 ND2 ASN A 99 6.310 -3.808 -13.908 1.00 1.14 N ATOM 0 H ASN A 99 7.426 -5.719 -9.782 1.00 0.18 H new ATOM 0 HA ASN A 99 8.092 -3.529 -11.517 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.503 -5.478 -11.999 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.358 -4.706 -10.920 1.00 0.22 H new ATOM 0 HD21 ASN A 99 6.038 -3.239 -14.709 1.00 1.14 H new ATOM 0 HD22 ASN A 99 7.035 -4.519 -14.010 1.00 1.14 H new ATOM 1573 N PHE A 100 6.104 -2.991 -8.915 1.00 0.18 N ATOM 1574 CA PHE A 100 5.585 -1.913 -8.080 1.00 0.23 C ATOM 1575 C PHE A 100 6.714 -1.235 -7.323 1.00 0.18 C ATOM 1576 O PHE A 100 6.640 -0.050 -7.021 1.00 0.21 O ATOM 1577 CB PHE A 100 4.502 -2.426 -7.115 1.00 0.38 C ATOM 1578 CG PHE A 100 5.019 -2.971 -5.812 1.00 1.36 C ATOM 1579 CD1 PHE A 100 5.377 -2.120 -4.782 1.00 1.99 C ATOM 1580 CD2 PHE A 100 5.154 -4.336 -5.621 1.00 2.09 C ATOM 1581 CE1 PHE A 100 5.856 -2.619 -3.585 1.00 2.95 C ATOM 1582 CE2 PHE A 100 5.630 -4.839 -4.430 1.00 3.08 C ATOM 1583 CZ PHE A 100 5.963 -3.975 -3.400 1.00 3.43 C ATOM 0 H PHE A 100 5.848 -3.931 -8.613 1.00 0.18 H new ATOM 0 HA PHE A 100 5.119 -1.175 -8.733 1.00 0.23 H new ATOM 0 HB2 PHE A 100 3.811 -1.611 -6.902 1.00 0.38 H new ATOM 0 HB3 PHE A 100 3.930 -3.206 -7.617 1.00 0.38 H new ATOM 0 HD1 PHE A 100 5.281 -1.052 -4.915 1.00 1.99 H new ATOM 0 HD2 PHE A 100 4.883 -5.015 -6.416 1.00 2.09 H new ATOM 0 HE1 PHE A 100 6.146 -1.942 -2.795 1.00 2.95 H new ATOM 0 HE2 PHE A 100 5.743 -5.905 -4.300 1.00 3.08 H new ATOM 0 HZ PHE A 100 6.306 -4.367 -2.454 1.00 3.43 H new ATOM 1593 N LEU A 101 7.761 -1.995 -7.030 1.00 0.18 N ATOM 1594 CA LEU A 101 8.908 -1.465 -6.305 1.00 0.21 C ATOM 1595 C LEU A 101 9.775 -0.607 -7.212 1.00 0.20 C ATOM 1596 O LEU A 101 10.134 0.519 -6.856 1.00 0.21 O ATOM 1597 CB LEU A 101 9.724 -2.622 -5.717 1.00 0.28 C ATOM 1598 CG LEU A 101 10.851 -2.262 -4.731 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.644 -0.893 -4.090 1.00 0.92 C ATOM 1600 CD2 LEU A 101 10.934 -3.340 -3.663 1.00 0.92 C ATOM 0 H LEU A 101 7.840 -2.980 -7.283 1.00 0.18 H new ATOM 0 HA LEU A 101 8.548 -0.832 -5.494 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.035 -3.297 -5.210 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.165 -3.179 -6.544 1.00 0.28 H new ATOM 0 HG LEU A 101 11.787 -2.209 -5.287 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.464 -0.685 -3.403 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.618 -0.128 -4.866 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.702 -0.887 -3.542 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.729 -3.095 -2.959 1.00 0.92 H new ATOM 0 HD22 LEU A 101 9.984 -3.399 -3.131 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.148 -4.301 -4.132 1.00 0.92 H new ATOM 1612 N LYS A 102 10.101 -1.121 -8.393 1.00 0.20 N ATOM 1613 CA LYS A 102 10.937 -0.365 -9.307 1.00 0.23 C ATOM 1614 C LYS A 102 10.147 0.775 -9.901 1.00 0.22 C ATOM 1615 O LYS A 102 10.713 1.781 -10.331 1.00 0.26 O ATOM 1616 CB LYS A 102 11.509 -1.251 -10.425 1.00 0.27 C ATOM 1617 CG LYS A 102 12.498 -2.323 -9.968 1.00 0.28 C ATOM 1618 CD LYS A 102 13.339 -1.881 -8.780 1.00 0.33 C ATOM 1619 CE LYS A 102 12.713 -2.334 -7.485 1.00 1.44 C ATOM 1620 NZ LYS A 102 12.700 -3.817 -7.356 1.00 2.40 N ATOM 0 H LYS A 102 9.805 -2.037 -8.731 1.00 0.20 H new ATOM 0 HA LYS A 102 11.779 0.031 -8.739 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.681 -1.739 -10.938 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.004 -0.611 -11.156 1.00 0.27 H new ATOM 0 HG2 LYS A 102 11.950 -3.227 -9.703 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.156 -2.581 -10.798 1.00 0.28 H new ATOM 0 HD2 LYS A 102 14.345 -2.292 -8.867 1.00 0.33 H new ATOM 0 HD3 LYS A 102 13.438 -0.795 -8.782 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.262 -1.903 -6.648 1.00 1.44 H new ATOM 0 HE3 LYS A 102 11.692 -1.957 -7.425 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 12.420 -4.079 -6.389 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 12.021 -4.218 -8.034 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 13.650 -4.191 -7.555 1.00 2.40 H new ATOM 1634 N ALA A 103 8.830 0.625 -9.912 1.00 0.19 N ATOM 1635 CA ALA A 103 7.985 1.659 -10.459 1.00 0.21 C ATOM 1636 C ALA A 103 7.762 2.767 -9.445 1.00 0.18 C ATOM 1637 O ALA A 103 7.856 3.950 -9.775 1.00 0.20 O ATOM 1638 CB ALA A 103 6.658 1.097 -10.941 1.00 0.24 C ATOM 0 H ALA A 103 8.336 -0.192 -9.553 1.00 0.19 H new ATOM 0 HA ALA A 103 8.499 2.081 -11.322 1.00 0.21 H new ATOM 0 HB1 ALA A 103 6.047 1.903 -11.347 1.00 0.24 H new ATOM 0 HB2 ALA A 103 6.838 0.353 -11.717 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.135 0.631 -10.106 1.00 0.24 H new ATOM 1644 N LEU A 104 7.473 2.391 -8.204 1.00 0.16 N ATOM 1645 CA LEU A 104 7.254 3.388 -7.177 1.00 0.16 C ATOM 1646 C LEU A 104 8.530 4.181 -6.968 1.00 0.16 C ATOM 1647 O LEU A 104 8.493 5.404 -6.838 1.00 0.16 O ATOM 1648 CB LEU A 104 6.767 2.755 -5.860 1.00 0.19 C ATOM 1649 CG LEU A 104 7.767 1.857 -5.123 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.714 2.674 -4.261 1.00 0.23 C ATOM 1651 CD2 LEU A 104 7.033 0.842 -4.263 1.00 0.24 C ATOM 0 H LEU A 104 7.387 1.423 -7.894 1.00 0.16 H new ATOM 0 HA LEU A 104 6.464 4.062 -7.508 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.468 3.557 -5.186 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.874 2.168 -6.073 1.00 0.19 H new ATOM 0 HG LEU A 104 8.357 1.332 -5.875 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.410 2.007 -3.752 1.00 0.23 H new ATOM 0 HD12 LEU A 104 9.271 3.368 -4.890 1.00 0.23 H new ATOM 0 HD13 LEU A 104 8.141 3.234 -3.521 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.757 0.212 -3.746 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.417 1.364 -3.530 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.398 0.221 -4.895 1.00 0.24 H new ATOM 1663 N GLN A 105 9.667 3.487 -6.979 1.00 0.18 N ATOM 1664 CA GLN A 105 10.944 4.149 -6.789 1.00 0.22 C ATOM 1665 C GLN A 105 11.281 5.031 -7.981 1.00 0.24 C ATOM 1666 O GLN A 105 11.589 6.214 -7.814 1.00 0.26 O ATOM 1667 CB GLN A 105 12.046 3.130 -6.524 1.00 0.27 C ATOM 1668 CG GLN A 105 13.415 3.536 -7.045 1.00 0.35 C ATOM 1669 CD GLN A 105 13.975 4.753 -6.334 1.00 1.13 C ATOM 1670 OE1 GLN A 105 13.673 5.002 -5.168 1.00 1.76 O ATOM 1671 NE2 GLN A 105 14.803 5.520 -7.036 1.00 1.92 N ATOM 0 H GLN A 105 9.724 2.478 -7.116 1.00 0.18 H new ATOM 0 HA GLN A 105 10.868 4.793 -5.913 1.00 0.22 H new ATOM 0 HB2 GLN A 105 12.116 2.959 -5.450 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.764 2.181 -6.980 1.00 0.27 H new ATOM 0 HG2 GLN A 105 14.106 2.701 -6.927 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.346 3.744 -8.113 1.00 0.35 H new ATOM 0 HE21 GLN A 105 15.028 5.278 -8.001 1.00 1.92 H new ATOM 0 HE22 GLN A 105 15.214 6.351 -6.610 1.00 1.92 H new ATOM 1680 N GLU A 106 11.229 4.468 -9.188 1.00 0.25 N ATOM 1681 CA GLU A 106 11.522 5.259 -10.372 1.00 0.29 C ATOM 1682 C GLU A 106 10.680 6.525 -10.337 1.00 0.29 C ATOM 1683 O GLU A 106 11.114 7.582 -10.787 1.00 0.35 O ATOM 1684 CB GLU A 106 11.257 4.475 -11.658 1.00 0.31 C ATOM 1685 CG GLU A 106 9.786 4.276 -11.952 1.00 0.29 C ATOM 1686 CD GLU A 106 9.538 3.664 -13.316 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.540 2.419 -13.418 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.339 4.430 -14.282 1.00 0.41 O ATOM 0 H GLU A 106 10.993 3.492 -9.365 1.00 0.25 H new ATOM 0 HA GLU A 106 12.582 5.515 -10.368 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.719 4.999 -12.495 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.740 3.501 -11.586 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.351 3.634 -11.186 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.275 5.237 -11.891 1.00 0.29 H new ATOM 1695 N LYS A 107 9.469 6.413 -9.784 1.00 0.23 N ATOM 1696 CA LYS A 107 8.593 7.568 -9.665 1.00 0.23 C ATOM 1697 C LYS A 107 9.198 8.582 -8.703 1.00 0.24 C ATOM 1698 O LYS A 107 9.286 9.769 -9.019 1.00 0.30 O ATOM 1699 CB LYS A 107 7.206 7.158 -9.175 1.00 0.22 C ATOM 1700 CG LYS A 107 6.306 6.601 -10.262 1.00 0.62 C ATOM 1701 CD LYS A 107 4.866 6.498 -9.782 1.00 1.05 C ATOM 1702 CE LYS A 107 4.739 5.560 -8.592 1.00 1.11 C ATOM 1703 NZ LYS A 107 4.837 4.132 -9.000 1.00 2.14 N ATOM 0 H LYS A 107 9.082 5.543 -9.418 1.00 0.23 H new ATOM 0 HA LYS A 107 8.490 8.018 -10.652 1.00 0.23 H new ATOM 0 HB2 LYS A 107 7.316 6.410 -8.390 1.00 0.22 H new ATOM 0 HB3 LYS A 107 6.721 8.024 -8.724 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.354 7.242 -11.142 1.00 0.62 H new ATOM 0 HG3 LYS A 107 6.663 5.617 -10.565 1.00 0.62 H new ATOM 0 HD2 LYS A 107 4.502 7.488 -9.506 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.235 6.142 -10.596 1.00 1.05 H new ATOM 0 HE2 LYS A 107 5.521 5.785 -7.867 1.00 1.11 H new ATOM 0 HE3 LYS A 107 3.784 5.731 -8.095 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 4.916 3.534 -8.153 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 3.986 3.864 -9.535 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 5.677 3.999 -9.598 1.00 2.14 H new ATOM 1717 N VAL A 108 9.611 8.112 -7.522 1.00 0.22 N ATOM 1718 CA VAL A 108 10.221 8.997 -6.531 1.00 0.26 C ATOM 1719 C VAL A 108 11.426 9.707 -7.144 1.00 0.33 C ATOM 1720 O VAL A 108 11.819 10.785 -6.702 1.00 0.40 O ATOM 1721 CB VAL A 108 10.659 8.244 -5.246 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.759 7.057 -4.965 1.00 0.22 C ATOM 1723 CG2 VAL A 108 12.115 7.811 -5.331 1.00 0.28 C ATOM 0 H VAL A 108 9.535 7.137 -7.233 1.00 0.22 H new ATOM 0 HA VAL A 108 9.462 9.723 -6.239 1.00 0.26 H new ATOM 0 HB VAL A 108 10.562 8.940 -4.412 1.00 0.26 H new ATOM 0 HG11 VAL A 108 10.094 6.553 -4.059 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.734 7.402 -4.831 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.801 6.362 -5.804 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.393 7.286 -4.417 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.248 7.147 -6.185 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.749 8.689 -5.452 1.00 0.28 H new ATOM 1733 N GLU A 109 12.013 9.077 -8.161 1.00 0.38 N ATOM 1734 CA GLU A 109 13.161 9.645 -8.862 1.00 0.48 C ATOM 1735 C GLU A 109 12.716 10.780 -9.778 1.00 0.45 C ATOM 1736 O GLU A 109 13.193 11.909 -9.665 1.00 0.45 O ATOM 1737 CB GLU A 109 13.868 8.567 -9.685 1.00 0.62 C ATOM 1738 CG GLU A 109 15.076 9.077 -10.452 1.00 1.29 C ATOM 1739 CD GLU A 109 16.137 9.672 -9.546 1.00 1.62 C ATOM 1740 OE1 GLU A 109 16.063 10.886 -9.263 1.00 2.41 O ATOM 1741 OE2 GLU A 109 17.041 8.922 -9.119 1.00 1.75 O ATOM 0 H GLU A 109 11.710 8.171 -8.518 1.00 0.38 H new ATOM 0 HA GLU A 109 13.855 10.039 -8.120 1.00 0.48 H new ATOM 0 HB2 GLU A 109 14.184 7.764 -9.020 1.00 0.62 H new ATOM 0 HB3 GLU A 109 13.157 8.136 -10.390 1.00 0.62 H new ATOM 0 HG2 GLU A 109 15.511 8.257 -11.024 1.00 1.29 H new ATOM 0 HG3 GLU A 109 14.753 9.831 -11.170 1.00 1.29 H new ATOM 1748 N ILE A 110 11.802 10.459 -10.689 1.00 0.44 N ATOM 1749 CA ILE A 110 11.266 11.434 -11.631 1.00 0.42 C ATOM 1750 C ILE A 110 10.793 12.688 -10.902 1.00 0.39 C ATOM 1751 O ILE A 110 11.099 13.810 -11.305 1.00 0.45 O ATOM 1752 CB ILE A 110 10.097 10.824 -12.438 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.619 10.067 -13.664 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.099 11.895 -12.862 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.590 8.950 -13.341 1.00 0.55 C ATOM 0 H ILE A 110 11.415 9.521 -10.794 1.00 0.44 H new ATOM 0 HA ILE A 110 12.065 11.710 -12.319 1.00 0.42 H new ATOM 0 HB ILE A 110 9.580 10.118 -11.788 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.771 9.650 -14.207 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.108 10.775 -14.333 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.289 11.434 -13.427 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.691 12.383 -11.977 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.602 12.634 -13.485 1.00 0.42 H new ATOM 0 HD11 ILE A 110 11.910 8.467 -14.265 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.459 9.361 -12.827 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.101 8.217 -12.699 1.00 0.55 H new ATOM 1767 N LYS A 111 10.043 12.479 -9.827 1.00 0.36 N ATOM 1768 CA LYS A 111 9.522 13.575 -9.023 1.00 0.37 C ATOM 1769 C LYS A 111 10.262 13.668 -7.698 1.00 0.40 C ATOM 1770 O LYS A 111 11.363 13.138 -7.549 1.00 0.48 O ATOM 1771 CB LYS A 111 8.033 13.368 -8.754 1.00 0.39 C ATOM 1772 CG LYS A 111 7.124 13.951 -9.821 1.00 0.51 C ATOM 1773 CD LYS A 111 5.751 14.270 -9.255 1.00 0.65 C ATOM 1774 CE LYS A 111 4.998 13.006 -8.870 1.00 0.67 C ATOM 1775 NZ LYS A 111 4.673 12.169 -10.059 1.00 1.28 N ATOM 0 H LYS A 111 9.781 11.552 -9.491 1.00 0.36 H new ATOM 0 HA LYS A 111 9.668 14.502 -9.578 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.835 12.300 -8.668 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.782 13.817 -7.793 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.572 14.857 -10.229 1.00 0.51 H new ATOM 0 HG3 LYS A 111 7.026 13.245 -10.645 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.857 14.912 -8.380 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.174 14.828 -9.992 1.00 0.65 H new ATOM 0 HE2 LYS A 111 5.598 12.425 -8.170 1.00 0.67 H new ATOM 0 HE3 LYS A 111 4.077 13.275 -8.353 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.967 11.452 -9.796 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 4.289 12.773 -10.814 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 5.536 11.698 -10.398 1.00 1.28 H new ATOM 1789 N GLN A 112 9.652 14.356 -6.743 1.00 0.43 N ATOM 1790 CA GLN A 112 10.230 14.500 -5.418 1.00 0.56 C ATOM 1791 C GLN A 112 9.902 13.271 -4.588 1.00 0.65 C ATOM 1792 O GLN A 112 10.239 12.152 -4.977 1.00 1.51 O ATOM 1793 CB GLN A 112 9.703 15.773 -4.750 1.00 0.66 C ATOM 1794 CG GLN A 112 10.312 17.053 -5.300 1.00 0.69 C ATOM 1795 CD GLN A 112 9.958 17.294 -6.753 1.00 1.29 C ATOM 1796 OE1 GLN A 112 10.668 16.856 -7.659 1.00 2.15 O ATOM 1797 NE2 GLN A 112 8.853 17.996 -6.987 1.00 2.03 N ATOM 0 H GLN A 112 8.754 14.824 -6.864 1.00 0.43 H new ATOM 0 HA GLN A 112 11.314 14.587 -5.498 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.621 15.815 -4.873 1.00 0.66 H new ATOM 0 HB3 GLN A 112 9.901 15.719 -3.679 1.00 0.66 H new ATOM 0 HG2 GLN A 112 9.971 17.898 -4.703 1.00 0.69 H new ATOM 0 HG3 GLN A 112 11.396 17.007 -5.198 1.00 0.69 H new ATOM 0 HE21 GLN A 112 8.293 18.341 -6.207 1.00 2.03 H new ATOM 0 HE22 GLN A 112 8.565 18.190 -7.946 1.00 2.03 H new ATOM 1806 N LEU A 113 9.263 13.473 -3.441 1.00 0.37 N ATOM 1807 CA LEU A 113 8.860 12.360 -2.599 1.00 0.29 C ATOM 1808 C LEU A 113 10.054 11.579 -2.074 1.00 0.30 C ATOM 1809 O LEU A 113 9.905 10.445 -1.619 1.00 0.44 O ATOM 1810 CB LEU A 113 7.957 11.425 -3.392 1.00 0.24 C ATOM 1811 CG LEU A 113 6.615 12.014 -3.814 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.791 12.380 -2.589 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.786 13.224 -4.722 1.00 0.36 C ATOM 0 H LEU A 113 9.015 14.393 -3.077 1.00 0.37 H new ATOM 0 HA LEU A 113 8.327 12.771 -1.742 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.491 11.104 -4.286 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.771 10.533 -2.794 1.00 0.24 H new ATOM 0 HG LEU A 113 6.086 11.251 -4.385 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.836 12.799 -2.905 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.615 11.487 -1.989 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.331 13.116 -1.994 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.806 13.612 -4.999 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.347 13.997 -4.197 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.327 12.930 -5.621 1.00 0.36 H new ATOM 1825 N ASN A 114 11.238 12.174 -2.140 1.00 0.19 N ATOM 1826 CA ASN A 114 12.437 11.501 -1.664 1.00 0.18 C ATOM 1827 C ASN A 114 12.237 11.026 -0.232 1.00 0.16 C ATOM 1828 O ASN A 114 12.764 9.988 0.158 1.00 0.18 O ATOM 1829 CB ASN A 114 13.660 12.417 -1.751 1.00 0.20 C ATOM 1830 CG ASN A 114 13.989 12.850 -3.172 1.00 0.27 C ATOM 1831 OD1 ASN A 114 15.157 13.014 -3.522 1.00 1.10 O ATOM 1832 ND2 ASN A 114 12.965 13.046 -3.998 1.00 1.22 N ATOM 0 H ASN A 114 11.392 13.110 -2.514 1.00 0.19 H new ATOM 0 HA ASN A 114 12.617 10.638 -2.305 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.486 13.303 -1.140 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.522 11.902 -1.327 1.00 0.20 H new ATOM 0 HD21 ASN A 114 13.135 13.343 -4.959 1.00 1.22 H new ATOM 0 HD22 ASN A 114 12.010 12.899 -3.670 1.00 1.22 H new ATOM 1839 N HIS A 115 11.464 11.789 0.544 1.00 0.16 N ATOM 1840 CA HIS A 115 11.175 11.423 1.930 1.00 0.14 C ATOM 1841 C HIS A 115 10.575 10.027 1.979 1.00 0.13 C ATOM 1842 O HIS A 115 10.955 9.198 2.811 1.00 0.12 O ATOM 1843 CB HIS A 115 10.219 12.431 2.565 1.00 0.15 C ATOM 1844 CG HIS A 115 10.757 13.828 2.604 1.00 0.28 C ATOM 1845 ND1 HIS A 115 11.367 14.368 3.716 1.00 1.33 N ATOM 1846 CD2 HIS A 115 10.772 14.798 1.660 1.00 0.92 C ATOM 1847 CE1 HIS A 115 11.733 15.611 3.455 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.385 15.894 2.213 1.00 0.51 N ATOM 0 H HIS A 115 11.030 12.659 0.237 1.00 0.16 H new ATOM 0 HA HIS A 115 12.107 11.432 2.496 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.281 12.428 2.010 1.00 0.15 H new ATOM 0 HB3 HIS A 115 9.990 12.111 3.581 1.00 0.15 H new ATOM 0 HD2 HIS A 115 10.375 14.723 0.658 1.00 0.92 H new ATOM 0 HE1 HIS A 115 12.231 16.281 4.140 1.00 1.14 H new ATOM 0 HE2 HIS A 115 11.546 16.784 1.741 1.00 0.51 H new ATOM 1857 N PHE A 116 9.621 9.777 1.089 1.00 0.13 N ATOM 1858 CA PHE A 116 9.004 8.467 1.004 1.00 0.13 C ATOM 1859 C PHE A 116 10.109 7.433 0.878 1.00 0.12 C ATOM 1860 O PHE A 116 10.203 6.500 1.675 1.00 0.16 O ATOM 1861 CB PHE A 116 8.050 8.399 -0.195 1.00 0.15 C ATOM 1862 CG PHE A 116 7.723 7.002 -0.644 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.267 6.052 0.257 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.873 6.641 -1.973 1.00 0.73 C ATOM 1865 CE1 PHE A 116 6.967 4.770 -0.160 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.574 5.360 -2.395 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.119 4.423 -1.488 1.00 0.21 C ATOM 0 H PHE A 116 9.263 10.461 0.423 1.00 0.13 H new ATOM 0 HA PHE A 116 8.414 8.269 1.899 1.00 0.13 H new ATOM 0 HB2 PHE A 116 7.123 8.912 0.063 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.494 8.942 -1.029 1.00 0.15 H new ATOM 0 HD1 PHE A 116 7.145 6.317 1.297 1.00 0.73 H new ATOM 0 HD2 PHE A 116 8.228 7.369 -2.687 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.614 4.039 0.552 1.00 0.72 H new ATOM 0 HE2 PHE A 116 7.696 5.091 -3.434 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.883 3.422 -1.816 1.00 0.21 H new ATOM 1877 N TRP A 117 10.970 7.636 -0.113 1.00 0.14 N ATOM 1878 CA TRP A 117 12.094 6.746 -0.331 1.00 0.15 C ATOM 1879 C TRP A 117 12.862 6.563 0.972 1.00 0.15 C ATOM 1880 O TRP A 117 13.219 5.447 1.335 1.00 0.19 O ATOM 1881 CB TRP A 117 13.015 7.302 -1.422 1.00 0.19 C ATOM 1882 CG TRP A 117 14.336 6.598 -1.508 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.565 7.130 -1.236 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.563 5.237 -1.885 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.541 6.182 -1.426 1.00 0.60 N ATOM 1886 CE2 TRP A 117 15.951 5.012 -1.823 1.00 0.61 C ATOM 1887 CE3 TRP A 117 13.727 4.184 -2.271 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.521 3.778 -2.132 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.295 2.961 -2.575 1.00 0.88 C ATOM 1890 CH2 TRP A 117 15.679 2.768 -2.505 1.00 0.92 C ATOM 0 H TRP A 117 10.908 8.409 -0.775 1.00 0.14 H new ATOM 0 HA TRP A 117 11.721 5.777 -0.663 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.510 7.228 -2.385 1.00 0.19 H new ATOM 0 HB3 TRP A 117 13.189 8.362 -1.234 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.743 8.147 -0.918 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.542 6.326 -1.293 1.00 0.60 H new ATOM 0 HE3 TRP A 117 12.658 4.324 -2.330 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 17.589 3.626 -2.079 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 13.659 2.140 -2.872 1.00 0.88 H new ATOM 0 HH2 TRP A 117 16.091 1.800 -2.751 1.00 0.92 H new ATOM 1901 N GLU A 118 13.075 7.671 1.688 1.00 0.14 N ATOM 1902 CA GLU A 118 13.807 7.649 2.951 1.00 0.15 C ATOM 1903 C GLU A 118 13.240 6.610 3.909 1.00 0.14 C ATOM 1904 O GLU A 118 13.974 5.752 4.398 1.00 0.17 O ATOM 1905 CB GLU A 118 13.788 9.025 3.627 1.00 0.17 C ATOM 1906 CG GLU A 118 14.364 10.144 2.777 1.00 0.20 C ATOM 1907 CD GLU A 118 15.762 9.841 2.275 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.732 10.131 3.007 1.00 0.86 O ATOM 1909 OE2 GLU A 118 15.889 9.311 1.151 1.00 0.64 O ATOM 0 H GLU A 118 12.748 8.596 1.410 1.00 0.14 H new ATOM 0 HA GLU A 118 14.837 7.382 2.713 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.760 9.275 3.888 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.349 8.967 4.560 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.708 10.322 1.925 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.384 11.064 3.361 1.00 0.20 H new ATOM 1916 N ILE A 119 11.936 6.679 4.186 1.00 0.11 N ATOM 1917 CA ILE A 119 11.335 5.720 5.109 1.00 0.13 C ATOM 1918 C ILE A 119 11.451 4.301 4.571 1.00 0.14 C ATOM 1919 O ILE A 119 11.651 3.364 5.345 1.00 0.19 O ATOM 1920 CB ILE A 119 9.864 6.042 5.445 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.948 5.765 4.249 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.742 7.486 5.900 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.510 6.179 4.473 1.00 0.14 C ATOM 0 H ILE A 119 11.293 7.369 3.796 1.00 0.11 H new ATOM 0 HA ILE A 119 11.899 5.801 6.038 1.00 0.13 H new ATOM 0 HB ILE A 119 9.544 5.390 6.258 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.336 6.291 3.377 1.00 0.10 H new ATOM 0 HG13 ILE A 119 8.978 4.700 4.019 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.701 7.707 6.136 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.356 7.641 6.788 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.082 8.148 5.104 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.923 5.952 3.583 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.103 5.634 5.325 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.466 7.250 4.673 1.00 0.14 H new ATOM 1935 N VAL A 120 11.338 4.130 3.253 1.00 0.13 N ATOM 1936 CA VAL A 120 11.467 2.790 2.690 1.00 0.20 C ATOM 1937 C VAL A 120 12.876 2.249 2.953 1.00 0.21 C ATOM 1938 O VAL A 120 13.048 1.051 3.169 1.00 0.25 O ATOM 1939 CB VAL A 120 11.128 2.711 1.177 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.411 3.955 0.696 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.368 2.454 0.347 1.00 0.76 C ATOM 0 H VAL A 120 11.164 4.874 2.578 1.00 0.13 H new ATOM 0 HA VAL A 120 10.727 2.169 3.194 1.00 0.20 H new ATOM 0 HB VAL A 120 10.451 1.867 1.046 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.192 3.860 -0.367 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.480 4.075 1.249 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.045 4.826 0.859 1.00 0.82 H new ATOM 0 HG21 VAL A 120 12.096 2.404 -0.707 1.00 0.76 H new ATOM 0 HG22 VAL A 120 13.082 3.263 0.500 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.819 1.509 0.650 1.00 0.76 H new ATOM 1951 N VAL A 121 13.888 3.130 2.933 1.00 0.20 N ATOM 1952 CA VAL A 121 15.257 2.696 3.217 1.00 0.24 C ATOM 1953 C VAL A 121 15.363 2.355 4.694 1.00 0.26 C ATOM 1954 O VAL A 121 16.056 1.418 5.089 1.00 0.31 O ATOM 1955 CB VAL A 121 16.337 3.753 2.849 1.00 0.25 C ATOM 1956 CG1 VAL A 121 15.835 4.717 1.796 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.825 4.507 4.078 1.00 0.26 C ATOM 0 H VAL A 121 13.785 4.124 2.728 1.00 0.20 H new ATOM 0 HA VAL A 121 15.455 1.826 2.591 1.00 0.24 H new ATOM 0 HB VAL A 121 17.184 3.209 2.431 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.616 5.441 1.564 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.572 4.165 0.894 1.00 0.24 H new ATOM 0 HG13 VAL A 121 14.955 5.240 2.171 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.579 5.237 3.782 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.986 5.022 4.546 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.260 3.803 4.787 1.00 0.26 H new ATOM 1967 N GLN A 122 14.656 3.141 5.498 1.00 0.25 N ATOM 1968 CA GLN A 122 14.620 2.946 6.935 1.00 0.30 C ATOM 1969 C GLN A 122 13.825 1.687 7.255 1.00 0.35 C ATOM 1970 O GLN A 122 13.950 1.106 8.333 1.00 0.44 O ATOM 1971 CB GLN A 122 13.991 4.176 7.598 1.00 0.29 C ATOM 1972 CG GLN A 122 13.669 3.987 9.066 1.00 0.44 C ATOM 1973 CD GLN A 122 13.357 5.293 9.773 1.00 1.27 C ATOM 1974 OE1 GLN A 122 13.636 5.450 10.961 1.00 1.92 O ATOM 1975 NE2 GLN A 122 12.768 6.237 9.045 1.00 2.12 N ATOM 0 H GLN A 122 14.095 3.927 5.170 1.00 0.25 H new ATOM 0 HA GLN A 122 15.631 2.823 7.323 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.671 5.021 7.492 1.00 0.29 H new ATOM 0 HB3 GLN A 122 13.075 4.435 7.066 1.00 0.29 H new ATOM 0 HG2 GLN A 122 12.817 3.314 9.163 1.00 0.44 H new ATOM 0 HG3 GLN A 122 14.513 3.505 9.559 1.00 0.44 H new ATOM 0 HE21 GLN A 122 12.554 6.065 8.063 1.00 2.12 H new ATOM 0 HE22 GLN A 122 12.530 7.134 9.469 1.00 2.12 H new ATOM 1984 N ASP A 123 13.010 1.274 6.289 1.00 0.31 N ATOM 1985 CA ASP A 123 12.182 0.083 6.426 1.00 0.37 C ATOM 1986 C ASP A 123 12.696 -1.048 5.536 1.00 0.40 C ATOM 1987 O ASP A 123 12.189 -2.169 5.591 1.00 0.45 O ATOM 1988 CB ASP A 123 10.733 0.414 6.054 1.00 0.35 C ATOM 1989 CG ASP A 123 10.015 1.186 7.145 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.626 0.563 8.155 1.00 0.86 O ATOM 1991 OD2 ASP A 123 9.847 2.414 6.991 1.00 0.71 O ATOM 0 H ASP A 123 12.906 1.753 5.395 1.00 0.31 H new ATOM 0 HA ASP A 123 12.228 -0.248 7.463 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.722 0.997 5.133 1.00 0.35 H new ATOM 0 HB3 ASP A 123 10.193 -0.511 5.852 1.00 0.35 H new ATOM 1996 N GLY A 124 13.703 -0.749 4.717 1.00 0.38 N ATOM 1997 CA GLY A 124 14.249 -1.752 3.816 1.00 0.43 C ATOM 1998 C GLY A 124 13.187 -2.268 2.871 1.00 0.44 C ATOM 1999 O GLY A 124 12.753 -3.415 2.979 1.00 0.55 O ATOM 0 H GLY A 124 14.149 0.167 4.661 1.00 0.38 H new ATOM 0 HA2 GLY A 124 15.072 -1.323 3.244 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.660 -2.580 4.394 1.00 0.43 H new ATOM 2003 N ILE A 125 12.773 -1.418 1.935 1.00 0.40 N ATOM 2004 CA ILE A 125 11.722 -1.769 0.989 1.00 0.44 C ATOM 2005 C ILE A 125 12.165 -1.599 -0.466 1.00 0.45 C ATOM 2006 O ILE A 125 11.608 -0.783 -1.203 1.00 0.48 O ATOM 2007 CB ILE A 125 10.478 -0.894 1.243 1.00 0.47 C ATOM 2008 CG1 ILE A 125 10.120 -0.901 2.733 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.292 -1.359 0.412 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.815 -2.280 3.282 1.00 0.49 C ATOM 0 H ILE A 125 13.152 -0.479 1.813 1.00 0.40 H new ATOM 0 HA ILE A 125 11.488 -2.822 1.146 1.00 0.44 H new ATOM 0 HB ILE A 125 10.718 0.125 0.940 1.00 0.47 H new ATOM 0 HG12 ILE A 125 10.947 -0.470 3.298 1.00 0.58 H new ATOM 0 HG13 ILE A 125 9.255 -0.257 2.892 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.432 -0.720 0.616 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.544 -1.301 -0.647 1.00 0.68 H new ATOM 0 HG23 ILE A 125 9.048 -2.389 0.671 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.571 -2.204 4.342 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.968 -2.707 2.744 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.686 -2.923 3.156 1.00 0.49 H new ATOM 2022 N THR A 126 13.180 -2.353 -0.877 1.00 0.45 N ATOM 2023 CA THR A 126 13.654 -2.286 -2.254 1.00 0.47 C ATOM 2024 C THR A 126 14.102 -3.658 -2.754 1.00 0.48 C ATOM 2025 O THR A 126 14.547 -4.494 -1.973 1.00 0.57 O ATOM 2026 CB THR A 126 14.795 -1.279 -2.427 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.480 -0.058 -1.748 1.00 0.55 O ATOM 2028 CG2 THR A 126 15.022 -0.998 -3.901 1.00 0.53 C ATOM 0 H THR A 126 13.685 -3.011 -0.283 1.00 0.45 H new ATOM 0 HA THR A 126 12.808 -1.946 -2.852 1.00 0.47 H new ATOM 0 HB THR A 126 15.703 -1.703 -1.999 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.674 0.702 -2.335 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.835 -0.281 -4.014 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.282 -1.925 -4.412 1.00 0.53 H new ATOM 0 HG23 THR A 126 14.112 -0.586 -4.337 1.00 0.53 H new ATOM 2036 N LEU A 127 13.976 -3.868 -4.068 1.00 0.47 N ATOM 2037 CA LEU A 127 14.341 -5.131 -4.718 1.00 0.48 C ATOM 2038 C LEU A 127 13.609 -6.312 -4.075 1.00 0.46 C ATOM 2039 O LEU A 127 13.040 -6.189 -2.992 1.00 0.52 O ATOM 2040 CB LEU A 127 15.871 -5.351 -4.705 1.00 0.52 C ATOM 2041 CG LEU A 127 16.447 -6.123 -3.509 1.00 0.66 C ATOM 2042 CD1 LEU A 127 16.375 -7.621 -3.743 1.00 1.29 C ATOM 2043 CD2 LEU A 127 17.885 -5.729 -3.250 1.00 1.19 C ATOM 0 H LEU A 127 13.617 -3.164 -4.713 1.00 0.47 H new ATOM 0 HA LEU A 127 14.027 -5.068 -5.760 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.146 -5.881 -5.617 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.355 -4.375 -4.745 1.00 0.52 H new ATOM 0 HG LEU A 127 15.844 -5.867 -2.638 1.00 0.66 H new ATOM 0 HD11 LEU A 127 16.789 -8.144 -2.881 1.00 1.29 H new ATOM 0 HD12 LEU A 127 15.336 -7.918 -3.883 1.00 1.29 H new ATOM 0 HD13 LEU A 127 16.948 -7.878 -4.634 1.00 1.29 H new ATOM 0 HD21 LEU A 127 18.268 -6.290 -2.398 1.00 1.19 H new ATOM 0 HD22 LEU A 127 18.487 -5.950 -4.131 1.00 1.19 H new ATOM 0 HD23 LEU A 127 17.937 -4.662 -3.034 1.00 1.19 H new