USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 0 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 7 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -108:sc= -3.22! (180deg=-7.88!) USER MOD Set 2.1: A 31 SER OG : rot 70:sc= -3.82! USER MOD Set 2.2: A 39 ASN : amide:sc= -14.5! C(o=-23!,f=-33!) USER MOD Set 2.3: A 43 THR OG1 : rot -124:sc= -4.53! USER MOD Set 3.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 17 ASN : amide:sc= -0.892 X(o=-0.89,f=-0.41) USER MOD Single : A 1 LYS N :NH3+ -178:sc= -0.492 (180deg=-0.562) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.989! C(o=-0.99!,f=-6.1!) USER MOD Single : A 5 GLN : amide:sc= -0.696 K(o=-0.7,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.65! C(o=-2.7!,f=-5.8!) USER MOD Single : A 12 GLN : amide:sc= -2.7! C(o=-2.7!,f=-4.5!) USER MOD Single : A 15 MET CE :methyl -112:sc= -3.81! (180deg=-6.71!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 36 MET CE :methyl 150:sc= -0.269 (180deg=-1.27!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -118:sc= -0.0888 (180deg=-0.545) USER MOD Single : A 50 LYS NZ :NH3+ -116:sc= -2.5! (180deg=-6.14!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc=-0.000558 K(o=-0.00056,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.271 14.843 -2.489 1.00 0.00 N ATOM 2 CA LYS A 1 -6.941 13.653 -3.086 1.00 0.00 C ATOM 3 C LYS A 1 -7.731 12.915 -2.003 1.00 0.00 C ATOM 4 O LYS A 1 -8.049 11.750 -2.139 1.00 0.00 O ATOM 5 CB LYS A 1 -5.885 12.715 -3.675 1.00 0.00 C ATOM 6 CG LYS A 1 -5.180 13.409 -4.842 1.00 0.00 C ATOM 7 CD LYS A 1 -4.229 12.421 -5.521 1.00 0.00 C ATOM 8 CE LYS A 1 -3.420 13.149 -6.598 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.202 12.239 -7.757 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.762 15.364 -3.232 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.985 15.464 -2.058 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.597 14.533 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.620 13.977 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.159 12.440 -2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.353 11.792 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.915 13.775 -5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.626 14.276 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.559 11.980 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.795 11.603 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.949 14.046 -6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -2.462 13.473 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.652 12.734 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.680 11.396 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.121 11.951 -8.150 1.00 0.00 H new ATOM 10 N ASN A 2 -8.049 13.584 -0.929 1.00 0.00 N ATOM 11 CA ASN A 2 -8.819 12.919 0.161 1.00 0.00 C ATOM 12 C ASN A 2 -10.317 13.028 -0.130 1.00 0.00 C ATOM 13 O ASN A 2 -11.144 12.670 0.685 1.00 0.00 O ATOM 14 CB ASN A 2 -8.507 13.602 1.493 1.00 0.00 C ATOM 15 CG ASN A 2 -9.139 14.996 1.512 1.00 0.00 C ATOM 16 OD1 ASN A 2 -9.537 15.508 0.485 1.00 0.00 O ATOM 17 ND2 ASN A 2 -9.251 15.633 2.644 1.00 0.00 N ATOM 0 H ASN A 2 -7.810 14.561 -0.759 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.537 11.868 0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.893 13.005 2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.428 13.678 1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.673 16.561 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.917 15.203 3.506 1.00 0.00 H new ATOM 18 N GLU A 3 -10.675 13.519 -1.285 1.00 0.00 N ATOM 19 CA GLU A 3 -12.120 13.649 -1.625 1.00 0.00 C ATOM 20 C GLU A 3 -12.757 12.259 -1.685 1.00 0.00 C ATOM 21 O GLU A 3 -13.943 12.100 -1.474 1.00 0.00 O ATOM 22 CB GLU A 3 -12.262 14.335 -2.985 1.00 0.00 C ATOM 23 CG GLU A 3 -13.737 14.646 -3.247 1.00 0.00 C ATOM 24 CD GLU A 3 -13.891 15.236 -4.650 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.886 15.378 -5.326 1.00 0.00 O ATOM 26 OE2 GLU A 3 -15.013 15.538 -5.025 1.00 0.00 O ATOM 0 H GLU A 3 -10.029 13.836 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.622 14.245 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.676 15.254 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.870 13.691 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.333 13.738 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.110 15.349 -2.502 1.00 0.00 H new ATOM 27 N ASP A 4 -11.980 11.251 -1.975 1.00 0.00 N ATOM 28 CA ASP A 4 -12.543 9.874 -2.050 1.00 0.00 C ATOM 29 C ASP A 4 -13.114 9.479 -0.686 1.00 0.00 C ATOM 30 O ASP A 4 -14.029 8.685 -0.592 1.00 0.00 O ATOM 31 CB ASP A 4 -11.438 8.892 -2.444 1.00 0.00 C ATOM 32 CG ASP A 4 -12.064 7.561 -2.863 1.00 0.00 C ATOM 33 OD1 ASP A 4 -12.487 7.461 -4.004 1.00 0.00 O ATOM 34 OD2 ASP A 4 -12.109 6.663 -2.038 1.00 0.00 O ATOM 0 H ASP A 4 -10.980 11.322 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.337 9.847 -2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.847 9.302 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.758 8.738 -1.606 1.00 0.00 H new ATOM 35 N GLN A 5 -12.580 10.026 0.371 1.00 0.00 N ATOM 36 CA GLN A 5 -13.091 9.679 1.728 1.00 0.00 C ATOM 37 C GLN A 5 -14.558 10.099 1.846 1.00 0.00 C ATOM 38 O GLN A 5 -15.349 9.446 2.497 1.00 0.00 O ATOM 39 CB GLN A 5 -12.265 10.414 2.786 1.00 0.00 C ATOM 40 CG GLN A 5 -10.790 10.033 2.636 1.00 0.00 C ATOM 41 CD GLN A 5 -10.007 10.544 3.847 1.00 0.00 C ATOM 42 OE1 GLN A 5 -8.983 9.994 4.199 1.00 0.00 O ATOM 43 NE2 GLN A 5 -10.449 11.581 4.504 1.00 0.00 N ATOM 0 H GLN A 5 -11.813 10.698 0.354 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.008 8.603 1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.387 11.491 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.619 10.155 3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.689 8.951 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.384 10.461 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.309 12.043 4.209 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.935 11.929 5.313 1.00 0.00 H new ATOM 44 N GLU A 6 -14.928 11.183 1.222 1.00 0.00 N ATOM 45 CA GLU A 6 -16.344 11.641 1.302 1.00 0.00 C ATOM 46 C GLU A 6 -17.259 10.594 0.664 1.00 0.00 C ATOM 47 O GLU A 6 -18.408 10.451 1.034 1.00 0.00 O ATOM 48 CB GLU A 6 -16.493 12.970 0.558 1.00 0.00 C ATOM 49 CG GLU A 6 -15.650 14.041 1.254 1.00 0.00 C ATOM 50 CD GLU A 6 -15.862 15.388 0.558 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.493 15.400 -0.486 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.391 16.384 1.083 1.00 0.00 O ATOM 0 H GLU A 6 -14.312 11.771 0.661 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.622 11.776 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.174 12.857 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.540 13.272 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.931 14.114 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.596 13.766 1.224 1.00 0.00 H new ATOM 53 N MET A 7 -16.761 9.861 -0.294 1.00 0.00 N ATOM 54 CA MET A 7 -17.602 8.824 -0.956 1.00 0.00 C ATOM 55 C MET A 7 -17.923 7.713 0.042 1.00 0.00 C ATOM 56 O MET A 7 -18.907 7.012 -0.088 1.00 0.00 O ATOM 57 CB MET A 7 -16.841 8.234 -2.144 1.00 0.00 C ATOM 58 CG MET A 7 -16.618 9.321 -3.195 1.00 0.00 C ATOM 59 SD MET A 7 -15.752 8.618 -4.619 1.00 0.00 S ATOM 60 CE MET A 7 -15.671 10.134 -5.604 1.00 0.00 C ATOM 0 H MET A 7 -15.807 9.936 -0.647 1.00 0.00 H new ATOM 0 HA MET A 7 -18.529 9.278 -1.305 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.884 7.831 -1.813 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.403 7.406 -2.575 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.574 9.740 -3.508 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.036 10.139 -2.770 1.00 0.00 H new ATOM 0 HE1 MET A 7 -15.245 9.910 -6.582 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.675 10.540 -5.729 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.044 10.866 -5.094 1.00 0.00 H new ATOM 61 N CYS A 8 -17.099 7.542 1.038 1.00 0.00 N ATOM 62 CA CYS A 8 -17.354 6.473 2.041 1.00 0.00 C ATOM 63 C CYS A 8 -18.480 6.908 2.981 1.00 0.00 C ATOM 64 O CYS A 8 -19.185 6.089 3.537 1.00 0.00 O ATOM 65 CB CYS A 8 -16.079 6.215 2.843 1.00 0.00 C ATOM 66 SG CYS A 8 -14.795 5.593 1.729 1.00 0.00 S ATOM 0 H CYS A 8 -16.259 8.098 1.200 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.650 5.557 1.530 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.746 7.134 3.325 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.273 5.491 3.635 1.00 0.00 H new ATOM 67 N HIS A 9 -18.662 8.188 3.156 1.00 0.00 N ATOM 68 CA HIS A 9 -19.752 8.666 4.052 1.00 0.00 C ATOM 69 C HIS A 9 -21.022 7.864 3.752 1.00 0.00 C ATOM 70 O HIS A 9 -21.715 7.418 4.645 1.00 0.00 O ATOM 71 CB HIS A 9 -19.998 10.161 3.797 1.00 0.00 C ATOM 72 CG HIS A 9 -21.375 10.545 4.266 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.519 10.073 3.643 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.809 11.347 5.291 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.577 10.590 4.293 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.200 11.375 5.307 1.00 0.00 N ATOM 0 H HIS A 9 -18.105 8.922 2.719 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.473 8.527 5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.248 10.755 4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.893 10.379 2.734 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.168 11.876 5.981 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.606 10.395 4.028 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.802 11.885 5.953 1.00 0.00 H new ATOM 77 N GLU A 10 -21.330 7.676 2.498 1.00 0.00 N ATOM 78 CA GLU A 10 -22.550 6.905 2.133 1.00 0.00 C ATOM 79 C GLU A 10 -22.307 5.412 2.370 1.00 0.00 C ATOM 80 O GLU A 10 -23.177 4.701 2.832 1.00 0.00 O ATOM 81 CB GLU A 10 -22.878 7.139 0.658 1.00 0.00 C ATOM 82 CG GLU A 10 -23.216 8.614 0.438 1.00 0.00 C ATOM 83 CD GLU A 10 -24.518 8.953 1.167 1.00 0.00 C ATOM 84 OE1 GLU A 10 -25.203 8.030 1.576 1.00 0.00 O ATOM 85 OE2 GLU A 10 -24.808 10.130 1.305 1.00 0.00 O ATOM 0 H GLU A 10 -20.787 8.025 1.708 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.385 7.237 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.030 6.853 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.719 6.514 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -22.406 9.243 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -23.319 8.820 -0.627 1.00 0.00 H new ATOM 86 N PHE A 11 -21.133 4.928 2.059 1.00 0.00 N ATOM 87 CA PHE A 11 -20.856 3.479 2.272 1.00 0.00 C ATOM 88 C PHE A 11 -20.691 3.211 3.769 1.00 0.00 C ATOM 89 O PHE A 11 -20.748 2.083 4.216 1.00 0.00 O ATOM 90 CB PHE A 11 -19.579 3.075 1.526 1.00 0.00 C ATOM 91 CG PHE A 11 -19.917 1.992 0.529 1.00 0.00 C ATOM 92 CD1 PHE A 11 -20.752 0.936 0.910 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.407 2.043 -0.775 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.078 -0.065 -0.010 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.734 1.039 -1.694 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.571 -0.013 -1.312 1.00 0.00 C ATOM 0 H PHE A 11 -20.361 5.469 1.670 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.689 2.891 1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.152 3.938 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -18.828 2.718 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.145 0.894 1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.762 2.857 -1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -21.722 -0.880 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.339 1.077 -2.699 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.826 -0.786 -2.022 1.00 0.00 H new ATOM 97 N GLN A 12 -20.502 4.241 4.548 1.00 0.00 N ATOM 98 CA GLN A 12 -20.350 4.043 6.016 1.00 0.00 C ATOM 99 C GLN A 12 -21.733 3.844 6.636 1.00 0.00 C ATOM 100 O GLN A 12 -21.911 3.056 7.544 1.00 0.00 O ATOM 101 CB GLN A 12 -19.686 5.274 6.637 1.00 0.00 C ATOM 102 CG GLN A 12 -19.627 5.107 8.157 1.00 0.00 C ATOM 103 CD GLN A 12 -19.121 6.401 8.796 1.00 0.00 C ATOM 104 OE1 GLN A 12 -18.764 7.334 8.105 1.00 0.00 O ATOM 105 NE2 GLN A 12 -19.075 6.496 10.097 1.00 0.00 N ATOM 0 H GLN A 12 -20.446 5.209 4.231 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.729 3.168 6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.681 5.401 6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.248 6.172 6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -20.616 4.861 8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.967 4.279 8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.375 5.712 10.677 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.739 7.354 10.534 1.00 0.00 H new ATOM 106 N ALA A 13 -22.718 4.546 6.147 1.00 0.00 N ATOM 107 CA ALA A 13 -24.089 4.388 6.703 1.00 0.00 C ATOM 108 C ALA A 13 -24.602 2.989 6.366 1.00 0.00 C ATOM 109 O ALA A 13 -25.481 2.462 7.019 1.00 0.00 O ATOM 110 CB ALA A 13 -25.018 5.437 6.087 1.00 0.00 C ATOM 0 H ALA A 13 -22.632 5.221 5.387 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.066 4.523 7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.022 5.319 6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.646 6.435 6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.049 5.305 5.005 1.00 0.00 H new ATOM 111 N PHE A 14 -24.055 2.380 5.349 1.00 0.00 N ATOM 112 CA PHE A 14 -24.503 1.013 4.967 1.00 0.00 C ATOM 113 C PHE A 14 -23.825 -0.018 5.872 1.00 0.00 C ATOM 114 O PHE A 14 -23.984 -1.209 5.697 1.00 0.00 O ATOM 115 CB PHE A 14 -24.120 0.737 3.510 1.00 0.00 C ATOM 116 CG PHE A 14 -24.708 1.806 2.620 1.00 0.00 C ATOM 117 CD1 PHE A 14 -25.902 2.440 2.980 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.059 2.160 1.431 1.00 0.00 C ATOM 119 CE1 PHE A 14 -26.446 3.431 2.153 1.00 0.00 C ATOM 120 CE2 PHE A 14 -24.602 3.151 0.604 1.00 0.00 C ATOM 121 CZ PHE A 14 -25.796 3.786 0.964 1.00 0.00 C ATOM 0 H PHE A 14 -23.316 2.772 4.766 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.585 0.943 5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.035 0.719 3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.486 -0.244 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.404 2.165 3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.139 1.668 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -27.367 3.922 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.099 3.425 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 14 -26.216 4.549 0.326 1.00 0.00 H new ATOM 122 N MET A 15 -23.068 0.426 6.838 1.00 0.00 N ATOM 123 CA MET A 15 -22.386 -0.541 7.744 1.00 0.00 C ATOM 124 C MET A 15 -23.380 -1.038 8.795 1.00 0.00 C ATOM 125 O MET A 15 -24.013 -0.261 9.482 1.00 0.00 O ATOM 126 CB MET A 15 -21.208 0.146 8.440 1.00 0.00 C ATOM 127 CG MET A 15 -19.901 -0.505 7.986 1.00 0.00 C ATOM 128 SD MET A 15 -18.623 -0.225 9.236 1.00 0.00 S ATOM 129 CE MET A 15 -19.222 -1.431 10.444 1.00 0.00 C ATOM 0 H MET A 15 -22.893 1.411 7.038 1.00 0.00 H new ATOM 0 HA MET A 15 -22.017 -1.385 7.161 1.00 0.00 H new ATOM 0 HB2 MET A 15 -21.200 1.209 8.201 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.312 0.063 9.522 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.048 -1.574 7.834 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.587 -0.087 7.029 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.594 -0.909 11.326 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.028 -2.018 10.003 1.00 0.00 H new ATOM 0 HE3 MET A 15 -18.406 -2.094 10.732 1.00 0.00 H new ATOM 130 N LYS A 16 -23.526 -2.329 8.924 1.00 0.00 N ATOM 131 CA LYS A 16 -24.486 -2.868 9.929 1.00 0.00 C ATOM 132 C LYS A 16 -23.810 -3.966 10.755 1.00 0.00 C ATOM 133 O LYS A 16 -23.083 -4.790 10.235 1.00 0.00 O ATOM 134 CB LYS A 16 -25.702 -3.453 9.208 1.00 0.00 C ATOM 135 CG LYS A 16 -26.774 -3.828 10.234 1.00 0.00 C ATOM 136 CD LYS A 16 -27.951 -4.496 9.521 1.00 0.00 C ATOM 137 CE LYS A 16 -29.082 -4.739 10.520 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.546 -6.151 10.411 1.00 0.00 N ATOM 0 H LYS A 16 -23.025 -3.031 8.380 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.803 -2.062 10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -26.101 -2.728 8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.409 -4.332 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.357 -4.503 10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -27.113 -2.938 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -28.302 -3.864 8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.633 -5.440 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.736 -4.536 11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -29.909 -4.057 10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -30.316 -6.317 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.891 -6.329 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.755 -6.793 10.620 1.00 0.00 H new ATOM 139 N ASN A 17 -24.053 -3.987 12.038 1.00 0.00 N ATOM 140 CA ASN A 17 -23.435 -5.034 12.901 1.00 0.00 C ATOM 141 C ASN A 17 -21.923 -5.080 12.667 1.00 0.00 C ATOM 142 O ASN A 17 -21.314 -6.130 12.699 1.00 0.00 O ATOM 143 CB ASN A 17 -24.044 -6.396 12.561 1.00 0.00 C ATOM 144 CG ASN A 17 -25.559 -6.342 12.763 1.00 0.00 C ATOM 145 OD1 ASN A 17 -26.307 -6.914 11.994 1.00 0.00 O ATOM 146 ND2 ASN A 17 -26.049 -5.673 13.772 1.00 0.00 N ATOM 0 H ASN A 17 -24.654 -3.323 12.526 1.00 0.00 H new ATOM 0 HA ASN A 17 -23.627 -4.795 13.947 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -23.813 -6.662 11.530 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -23.609 -7.169 13.195 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -27.058 -5.631 13.914 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -25.423 -5.193 14.418 1.00 0.00 H new ATOM 147 N GLY A 18 -21.312 -3.951 12.431 1.00 0.00 N ATOM 148 CA GLY A 18 -19.841 -3.940 12.196 1.00 0.00 C ATOM 149 C GLY A 18 -19.547 -4.550 10.825 1.00 0.00 C ATOM 150 O GLY A 18 -18.433 -4.934 10.528 1.00 0.00 O ATOM 0 H GLY A 18 -21.766 -3.039 12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.461 -2.920 12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.332 -4.506 12.976 1.00 0.00 H new ATOM 151 N LYS A 19 -20.543 -4.642 9.990 1.00 0.00 N ATOM 152 CA LYS A 19 -20.337 -5.227 8.637 1.00 0.00 C ATOM 153 C LYS A 19 -20.631 -4.164 7.579 1.00 0.00 C ATOM 154 O LYS A 19 -21.443 -3.284 7.784 1.00 0.00 O ATOM 155 CB LYS A 19 -21.288 -6.407 8.451 1.00 0.00 C ATOM 156 CG LYS A 19 -20.901 -7.185 7.192 1.00 0.00 C ATOM 157 CD LYS A 19 -22.167 -7.640 6.462 1.00 0.00 C ATOM 158 CE LYS A 19 -21.824 -8.791 5.514 1.00 0.00 C ATOM 159 NZ LYS A 19 -22.205 -10.085 6.147 1.00 0.00 N ATOM 0 H LYS A 19 -21.496 -4.336 10.188 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.307 -5.568 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.247 -7.061 9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.315 -6.050 8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.296 -6.559 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.292 -8.049 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.920 -7.960 7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.595 -6.809 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.352 -8.667 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.758 -8.785 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.972 -10.868 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.682 -10.203 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.227 -10.089 6.342 1.00 0.00 H new ATOM 160 N LEU A 20 -19.984 -4.236 6.449 1.00 0.00 N ATOM 161 CA LEU A 20 -20.238 -3.224 5.384 1.00 0.00 C ATOM 162 C LEU A 20 -21.234 -3.788 4.370 1.00 0.00 C ATOM 163 O LEU A 20 -20.968 -4.769 3.705 1.00 0.00 O ATOM 164 CB LEU A 20 -18.925 -2.885 4.669 1.00 0.00 C ATOM 165 CG LEU A 20 -19.226 -2.077 3.402 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.688 -0.673 3.788 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.965 -1.974 2.543 1.00 0.00 C ATOM 0 H LEU A 20 -19.293 -4.949 6.217 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.648 -2.322 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.275 -2.314 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.392 -3.800 4.411 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.011 -2.579 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.902 -0.099 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.590 -0.741 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.903 -0.175 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.184 -1.399 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.178 -1.476 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.633 -2.974 2.263 1.00 0.00 H new ATOM 168 N PHE A 21 -22.373 -3.168 4.234 1.00 0.00 N ATOM 169 CA PHE A 21 -23.372 -3.664 3.250 1.00 0.00 C ATOM 170 C PHE A 21 -22.989 -3.152 1.862 1.00 0.00 C ATOM 171 O PHE A 21 -22.906 -1.963 1.633 1.00 0.00 O ATOM 172 CB PHE A 21 -24.766 -3.146 3.618 1.00 0.00 C ATOM 173 CG PHE A 21 -25.354 -4.003 4.715 1.00 0.00 C ATOM 174 CD1 PHE A 21 -24.514 -4.672 5.613 1.00 0.00 C ATOM 175 CD2 PHE A 21 -26.745 -4.125 4.833 1.00 0.00 C ATOM 176 CE1 PHE A 21 -25.064 -5.465 6.629 1.00 0.00 C ATOM 177 CE2 PHE A 21 -27.293 -4.917 5.849 1.00 0.00 C ATOM 178 CZ PHE A 21 -26.453 -5.587 6.747 1.00 0.00 C ATOM 0 H PHE A 21 -22.654 -2.341 4.761 1.00 0.00 H new ATOM 0 HA PHE A 21 -23.385 -4.754 3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.704 -2.109 3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.414 -3.164 2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.442 -4.577 5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -27.394 -3.609 4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -24.416 -5.982 7.321 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -28.365 -5.011 5.940 1.00 0.00 H new ATOM 0 HZ PHE A 21 -26.877 -6.198 7.530 1.00 0.00 H new ATOM 179 N CYS A 22 -22.742 -4.038 0.938 1.00 0.00 N ATOM 180 CA CYS A 22 -22.353 -3.596 -0.432 1.00 0.00 C ATOM 181 C CYS A 22 -23.538 -3.758 -1.389 1.00 0.00 C ATOM 182 O CYS A 22 -23.546 -4.631 -2.233 1.00 0.00 O ATOM 183 CB CYS A 22 -21.180 -4.446 -0.925 1.00 0.00 C ATOM 184 SG CYS A 22 -20.265 -3.536 -2.194 1.00 0.00 S ATOM 0 H CYS A 22 -22.792 -5.048 1.071 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.059 -2.547 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.521 -4.692 -0.093 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.546 -5.389 -1.331 1.00 0.00 H new ATOM 185 N PRO A 23 -24.554 -2.890 -1.258 1.00 0.00 N ATOM 186 CA PRO A 23 -25.742 -2.929 -2.118 1.00 0.00 C ATOM 187 C PRO A 23 -25.421 -2.470 -3.543 1.00 0.00 C ATOM 188 O PRO A 23 -24.359 -1.941 -3.809 1.00 0.00 O ATOM 189 CB PRO A 23 -26.697 -1.936 -1.456 1.00 0.00 C ATOM 190 CG PRO A 23 -25.807 -0.998 -0.714 1.00 0.00 C ATOM 191 CD PRO A 23 -24.624 -1.806 -0.262 1.00 0.00 C ATOM 0 HA PRO A 23 -26.149 -3.936 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.298 -1.410 -2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.390 -2.441 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.493 -0.173 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.327 -0.561 0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.711 -1.211 -0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.764 -2.195 0.747 1.00 0.00 H new ATOM 192 N GLN A 24 -26.327 -2.664 -4.461 1.00 0.00 N ATOM 193 CA GLN A 24 -26.067 -2.234 -5.864 1.00 0.00 C ATOM 194 C GLN A 24 -26.471 -0.768 -6.031 1.00 0.00 C ATOM 195 O GLN A 24 -27.583 -0.381 -5.727 1.00 0.00 O ATOM 196 CB GLN A 24 -26.883 -3.104 -6.823 1.00 0.00 C ATOM 197 CG GLN A 24 -26.337 -4.532 -6.801 1.00 0.00 C ATOM 198 CD GLN A 24 -27.123 -5.395 -7.791 1.00 0.00 C ATOM 199 OE1 GLN A 24 -28.161 -4.990 -8.277 1.00 0.00 O ATOM 200 NE2 GLN A 24 -26.667 -6.574 -8.113 1.00 0.00 N ATOM 0 H GLN A 24 -27.235 -3.101 -4.301 1.00 0.00 H new ATOM 0 HA GLN A 24 -25.006 -2.345 -6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -27.933 -3.100 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.831 -2.698 -7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -25.279 -4.532 -7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -26.417 -4.948 -5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -25.796 -6.913 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -27.182 -7.157 -8.773 1.00 0.00 H new ATOM 201 N ASP A 25 -25.577 0.052 -6.510 1.00 0.00 N ATOM 202 CA ASP A 25 -25.909 1.493 -6.694 1.00 0.00 C ATOM 203 C ASP A 25 -26.643 1.684 -8.023 1.00 0.00 C ATOM 204 O ASP A 25 -26.138 1.346 -9.076 1.00 0.00 O ATOM 205 CB ASP A 25 -24.619 2.315 -6.702 1.00 0.00 C ATOM 206 CG ASP A 25 -24.962 3.807 -6.738 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.132 4.128 -6.613 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.049 4.601 -6.892 1.00 0.00 O ATOM 0 H ASP A 25 -24.630 -0.213 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 25 -26.548 1.825 -5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.026 2.089 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.012 2.050 -7.568 1.00 0.00 H new ATOM 209 N LYS A 26 -27.831 2.224 -7.985 1.00 0.00 N ATOM 210 CA LYS A 26 -28.593 2.437 -9.247 1.00 0.00 C ATOM 211 C LYS A 26 -27.752 3.272 -10.214 1.00 0.00 C ATOM 212 O LYS A 26 -27.841 3.127 -11.418 1.00 0.00 O ATOM 213 CB LYS A 26 -29.896 3.176 -8.940 1.00 0.00 C ATOM 214 CG LYS A 26 -30.748 2.336 -7.984 1.00 0.00 C ATOM 215 CD LYS A 26 -32.070 3.057 -7.715 1.00 0.00 C ATOM 216 CE LYS A 26 -32.888 2.260 -6.698 1.00 0.00 C ATOM 217 NZ LYS A 26 -32.888 2.976 -5.391 1.00 0.00 N ATOM 0 H LYS A 26 -28.306 2.527 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.821 1.472 -9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.679 4.146 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.445 3.365 -9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.938 1.354 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.212 2.174 -7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -31.878 4.061 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.631 3.168 -8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.910 2.134 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.467 1.262 -6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.444 2.435 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -31.911 3.075 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -33.309 3.919 -5.512 1.00 0.00 H new ATOM 218 N LYS A 27 -26.934 4.147 -9.697 1.00 0.00 N ATOM 219 CA LYS A 27 -26.087 4.993 -10.585 1.00 0.00 C ATOM 220 C LYS A 27 -24.615 4.622 -10.387 1.00 0.00 C ATOM 221 O LYS A 27 -24.074 4.756 -9.307 1.00 0.00 O ATOM 222 CB LYS A 27 -26.293 6.467 -10.234 1.00 0.00 C ATOM 223 CG LYS A 27 -27.215 7.114 -11.270 1.00 0.00 C ATOM 224 CD LYS A 27 -27.798 8.407 -10.696 1.00 0.00 C ATOM 225 CE LYS A 27 -27.773 9.498 -11.768 1.00 0.00 C ATOM 226 NZ LYS A 27 -27.201 10.748 -11.192 1.00 0.00 N ATOM 0 H LYS A 27 -26.815 4.313 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.369 4.825 -11.625 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.727 6.558 -9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.334 6.984 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -26.660 7.327 -12.184 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -28.018 6.427 -11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -28.820 8.239 -10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.222 8.724 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.177 9.172 -12.620 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -28.782 9.683 -12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -27.184 11.490 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -27.787 11.062 -10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.232 10.566 -10.861 1.00 0.00 H new ATOM 227 N PRO A 28 -23.959 4.147 -11.456 1.00 0.00 N ATOM 228 CA PRO A 28 -22.545 3.753 -11.408 1.00 0.00 C ATOM 229 C PRO A 28 -21.623 4.964 -11.245 1.00 0.00 C ATOM 230 O PRO A 28 -21.817 5.991 -11.864 1.00 0.00 O ATOM 231 CB PRO A 28 -22.309 3.099 -12.769 1.00 0.00 C ATOM 232 CG PRO A 28 -23.340 3.706 -13.659 1.00 0.00 C ATOM 233 CD PRO A 28 -24.544 3.955 -12.795 1.00 0.00 C ATOM 0 HA PRO A 28 -22.332 3.099 -10.562 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.302 3.298 -13.135 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.420 2.016 -12.714 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -22.977 4.635 -14.098 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.584 3.037 -14.484 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.100 4.834 -13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.236 3.113 -12.816 1.00 0.00 H new ATOM 234 N ILE A 29 -20.622 4.851 -10.418 1.00 0.00 N ATOM 235 CA ILE A 29 -19.688 5.995 -10.218 1.00 0.00 C ATOM 236 C ILE A 29 -18.284 5.584 -10.663 1.00 0.00 C ATOM 237 O ILE A 29 -17.782 4.547 -10.281 1.00 0.00 O ATOM 238 CB ILE A 29 -19.670 6.385 -8.735 1.00 0.00 C ATOM 239 CG1 ILE A 29 -18.528 7.391 -8.476 1.00 0.00 C ATOM 240 CG2 ILE A 29 -19.508 5.121 -7.877 1.00 0.00 C ATOM 241 CD1 ILE A 29 -17.219 6.671 -8.114 1.00 0.00 C ATOM 0 H ILE A 29 -20.410 4.016 -9.872 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.019 6.849 -10.809 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.610 6.865 -8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.374 8.005 -9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.811 8.064 -7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.495 5.396 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -20.342 4.444 -8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.572 4.624 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -16.435 7.408 -7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.368 6.077 -7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.924 6.017 -8.935 1.00 0.00 H new ATOM 242 N GLN A 30 -17.643 6.390 -11.464 1.00 0.00 N ATOM 243 CA GLN A 30 -16.268 6.042 -11.923 1.00 0.00 C ATOM 244 C GLN A 30 -15.274 6.394 -10.817 1.00 0.00 C ATOM 245 O GLN A 30 -15.236 7.508 -10.335 1.00 0.00 O ATOM 246 CB GLN A 30 -15.931 6.836 -13.186 1.00 0.00 C ATOM 247 CG GLN A 30 -16.880 6.427 -14.314 1.00 0.00 C ATOM 248 CD GLN A 30 -16.527 7.204 -15.583 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.882 8.232 -15.520 1.00 0.00 O ATOM 250 NE2 GLN A 30 -16.925 6.755 -16.742 1.00 0.00 N ATOM 0 H GLN A 30 -18.010 7.272 -11.820 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.212 4.977 -12.146 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.020 7.905 -12.991 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.898 6.651 -13.480 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.803 5.355 -14.498 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.912 6.628 -14.027 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.466 5.892 -16.796 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.695 7.267 -17.594 1.00 0.00 H new ATOM 251 N SER A 31 -14.473 5.452 -10.399 1.00 0.00 N ATOM 252 CA SER A 31 -13.497 5.742 -9.315 1.00 0.00 C ATOM 253 C SER A 31 -12.132 6.087 -9.915 1.00 0.00 C ATOM 254 O SER A 31 -11.992 6.255 -11.110 1.00 0.00 O ATOM 255 CB SER A 31 -13.367 4.521 -8.408 1.00 0.00 C ATOM 256 OG SER A 31 -13.330 4.952 -7.056 1.00 0.00 O ATOM 0 H SER A 31 -14.453 4.498 -10.761 1.00 0.00 H new ATOM 0 HA SER A 31 -13.852 6.592 -8.733 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.207 3.844 -8.565 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.461 3.966 -8.651 1.00 0.00 H new ATOM 0 HG SER A 31 -14.212 5.292 -6.797 1.00 0.00 H new ATOM 257 N LEU A 32 -11.125 6.206 -9.090 1.00 0.00 N ATOM 258 CA LEU A 32 -9.770 6.555 -9.610 1.00 0.00 C ATOM 259 C LEU A 32 -8.705 5.669 -8.957 1.00 0.00 C ATOM 260 O LEU A 32 -7.531 5.783 -9.252 1.00 0.00 O ATOM 261 CB LEU A 32 -9.471 8.021 -9.289 1.00 0.00 C ATOM 262 CG LEU A 32 -9.716 8.281 -7.799 1.00 0.00 C ATOM 263 CD1 LEU A 32 -8.379 8.301 -7.054 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.417 9.630 -7.623 1.00 0.00 C ATOM 0 H LEU A 32 -11.182 6.077 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.751 6.395 -10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.438 8.256 -9.545 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.105 8.672 -9.891 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.345 7.488 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.556 8.486 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.880 7.340 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.748 9.092 -7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.591 9.814 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.789 10.422 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.371 9.616 -8.150 1.00 0.00 H new ATOM 265 N ASP A 33 -9.093 4.792 -8.073 1.00 0.00 N ATOM 266 CA ASP A 33 -8.087 3.914 -7.409 1.00 0.00 C ATOM 267 C ASP A 33 -7.814 2.688 -8.284 1.00 0.00 C ATOM 268 O ASP A 33 -7.149 1.758 -7.874 1.00 0.00 O ATOM 269 CB ASP A 33 -8.621 3.462 -6.051 1.00 0.00 C ATOM 270 CG ASP A 33 -8.606 4.643 -5.077 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.772 5.516 -5.249 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.430 4.653 -4.177 1.00 0.00 O ATOM 0 H ASP A 33 -10.059 4.645 -7.782 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.160 4.471 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.635 3.077 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.010 2.648 -5.661 1.00 0.00 H new ATOM 273 N GLY A 34 -8.322 2.679 -9.486 1.00 0.00 N ATOM 274 CA GLY A 34 -8.090 1.512 -10.382 1.00 0.00 C ATOM 275 C GLY A 34 -9.339 0.628 -10.406 1.00 0.00 C ATOM 276 O GLY A 34 -9.418 -0.331 -11.147 1.00 0.00 O ATOM 0 H GLY A 34 -8.887 3.428 -9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.855 1.855 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.232 0.937 -10.033 1.00 0.00 H new ATOM 277 N ILE A 35 -10.316 0.942 -9.600 1.00 0.00 N ATOM 278 CA ILE A 35 -11.556 0.119 -9.577 1.00 0.00 C ATOM 279 C ILE A 35 -12.706 0.924 -10.188 1.00 0.00 C ATOM 280 O ILE A 35 -12.719 2.138 -10.141 1.00 0.00 O ATOM 281 CB ILE A 35 -11.890 -0.252 -8.129 1.00 0.00 C ATOM 282 CG1 ILE A 35 -10.751 -1.090 -7.545 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.188 -1.062 -8.090 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.563 -0.739 -6.067 1.00 0.00 C ATOM 0 H ILE A 35 -10.308 1.733 -8.957 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.408 -0.793 -10.156 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.015 0.658 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.975 -2.151 -7.652 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.829 -0.902 -8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.422 -1.324 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.001 -0.467 -8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.067 -1.972 -8.677 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.751 -1.336 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.320 0.319 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.484 -0.950 -5.523 1.00 0.00 H new ATOM 285 N MET A 36 -13.667 0.261 -10.771 1.00 0.00 N ATOM 286 CA MET A 36 -14.806 0.993 -11.393 1.00 0.00 C ATOM 287 C MET A 36 -16.036 0.924 -10.482 1.00 0.00 C ATOM 288 O MET A 36 -16.592 -0.132 -10.253 1.00 0.00 O ATOM 289 CB MET A 36 -15.143 0.358 -12.744 1.00 0.00 C ATOM 290 CG MET A 36 -13.978 0.571 -13.715 1.00 0.00 C ATOM 291 SD MET A 36 -14.442 -0.037 -15.356 1.00 0.00 S ATOM 292 CE MET A 36 -15.684 1.228 -15.728 1.00 0.00 C ATOM 0 H MET A 36 -13.713 -0.755 -10.843 1.00 0.00 H new ATOM 0 HA MET A 36 -14.523 2.036 -11.535 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.335 -0.708 -12.619 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.053 0.801 -13.149 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.722 1.629 -13.766 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.092 0.046 -13.358 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.721 1.396 -16.804 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.661 0.893 -15.379 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.418 2.158 -15.225 1.00 0.00 H new ATOM 293 N PHE A 37 -16.468 2.045 -9.972 1.00 0.00 N ATOM 294 CA PHE A 37 -17.670 2.059 -9.088 1.00 0.00 C ATOM 295 C PHE A 37 -17.408 1.238 -7.827 1.00 0.00 C ATOM 296 O PHE A 37 -17.246 1.778 -6.750 1.00 0.00 O ATOM 297 CB PHE A 37 -18.863 1.474 -9.844 1.00 0.00 C ATOM 298 CG PHE A 37 -20.007 1.229 -8.885 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.113 1.987 -7.712 1.00 0.00 C ATOM 300 CD2 PHE A 37 -20.961 0.246 -9.170 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.172 1.761 -6.825 1.00 0.00 C ATOM 302 CE2 PHE A 37 -22.020 0.019 -8.283 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.126 0.776 -7.110 1.00 0.00 C ATOM 0 H PHE A 37 -16.038 2.957 -10.130 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.888 3.087 -8.799 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.177 2.159 -10.632 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -18.576 0.541 -10.328 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.377 2.746 -7.492 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -20.880 -0.338 -10.075 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.253 2.346 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -22.756 -0.740 -8.504 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.943 0.601 -6.425 1.00 0.00 H new ATOM 304 N ILE A 38 -17.372 -0.060 -7.952 1.00 0.00 N ATOM 305 CA ILE A 38 -17.125 -0.923 -6.760 1.00 0.00 C ATOM 306 C ILE A 38 -16.044 -0.283 -5.886 1.00 0.00 C ATOM 307 O ILE A 38 -16.010 -0.465 -4.686 1.00 0.00 O ATOM 308 CB ILE A 38 -16.658 -2.306 -7.219 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.752 -2.958 -8.067 1.00 0.00 C ATOM 310 CG2 ILE A 38 -16.372 -3.181 -5.997 1.00 0.00 C ATOM 311 CD1 ILE A 38 -17.255 -4.308 -8.593 1.00 0.00 C ATOM 0 H ILE A 38 -17.503 -0.562 -8.830 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.046 -1.024 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.750 -2.203 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.654 -3.098 -7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.018 -2.307 -8.900 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -16.039 -4.166 -6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.593 -2.718 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -17.280 -3.284 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -18.034 -4.772 -9.197 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.365 -4.155 -9.204 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.011 -4.958 -7.753 1.00 0.00 H new ATOM 312 N ASN A 39 -15.164 0.469 -6.486 1.00 0.00 N ATOM 313 CA ASN A 39 -14.084 1.131 -5.706 1.00 0.00 C ATOM 314 C ASN A 39 -14.660 1.740 -4.426 1.00 0.00 C ATOM 315 O ASN A 39 -14.090 1.618 -3.366 1.00 0.00 O ATOM 316 CB ASN A 39 -13.460 2.242 -6.546 1.00 0.00 C ATOM 317 CG ASN A 39 -12.076 2.584 -5.991 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.203 1.741 -5.948 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.836 3.791 -5.558 1.00 0.00 N ATOM 0 H ASN A 39 -15.147 0.654 -7.489 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.329 0.389 -5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.379 1.925 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.098 3.126 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.916 4.025 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.568 4.500 -5.593 1.00 0.00 H new ATOM 320 N LYS A 40 -15.775 2.410 -4.511 1.00 0.00 N ATOM 321 CA LYS A 40 -16.350 3.030 -3.283 1.00 0.00 C ATOM 322 C LYS A 40 -16.625 1.945 -2.242 1.00 0.00 C ATOM 323 O LYS A 40 -16.500 2.166 -1.055 1.00 0.00 O ATOM 324 CB LYS A 40 -17.661 3.751 -3.618 1.00 0.00 C ATOM 325 CG LYS A 40 -17.382 4.986 -4.476 1.00 0.00 C ATOM 326 CD LYS A 40 -18.595 5.920 -4.408 1.00 0.00 C ATOM 327 CE LYS A 40 -18.449 7.039 -5.439 1.00 0.00 C ATOM 328 NZ LYS A 40 -18.802 8.341 -4.809 1.00 0.00 N ATOM 0 H LYS A 40 -16.309 2.555 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.636 3.751 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.331 3.075 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.168 4.045 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.490 5.500 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.189 4.693 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.509 5.357 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.682 6.344 -3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.427 7.070 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.098 6.848 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.718 8.668 -5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.867 8.221 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.068 9.044 -5.030 1.00 0.00 H new ATOM 329 N CYS A 41 -17.000 0.779 -2.676 1.00 0.00 N ATOM 330 CA CYS A 41 -17.288 -0.320 -1.713 1.00 0.00 C ATOM 331 C CYS A 41 -15.983 -1.002 -1.313 1.00 0.00 C ATOM 332 O CYS A 41 -15.722 -1.243 -0.150 1.00 0.00 O ATOM 333 CB CYS A 41 -18.198 -1.339 -2.393 1.00 0.00 C ATOM 334 SG CYS A 41 -18.895 -2.466 -1.159 1.00 0.00 S ATOM 0 H CYS A 41 -17.121 0.536 -3.659 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.773 0.084 -0.824 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -19.000 -0.826 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.635 -1.903 -3.136 1.00 0.00 H new ATOM 335 N ALA A 42 -15.171 -1.329 -2.273 1.00 0.00 N ATOM 336 CA ALA A 42 -13.883 -2.014 -1.968 1.00 0.00 C ATOM 337 C ALA A 42 -12.831 -1.003 -1.500 1.00 0.00 C ATOM 338 O ALA A 42 -11.805 -1.377 -0.967 1.00 0.00 O ATOM 339 CB ALA A 42 -13.377 -2.724 -3.225 1.00 0.00 C ATOM 0 H ALA A 42 -15.342 -1.152 -3.263 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.052 -2.738 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.435 -3.226 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.113 -3.460 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.222 -1.993 -4.018 1.00 0.00 H new ATOM 340 N THR A 43 -13.057 0.271 -1.693 1.00 0.00 N ATOM 341 CA THR A 43 -12.041 1.266 -1.249 1.00 0.00 C ATOM 342 C THR A 43 -12.506 1.927 0.046 1.00 0.00 C ATOM 343 O THR A 43 -11.764 2.641 0.690 1.00 0.00 O ATOM 344 CB THR A 43 -11.858 2.330 -2.333 1.00 0.00 C ATOM 345 OG1 THR A 43 -11.768 1.698 -3.601 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.578 3.123 -2.063 1.00 0.00 C ATOM 0 H THR A 43 -13.891 0.660 -2.133 1.00 0.00 H new ATOM 0 HA THR A 43 -11.091 0.761 -1.076 1.00 0.00 H new ATOM 0 HB THR A 43 -12.710 3.009 -2.324 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.936 1.968 -4.043 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.449 3.880 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.649 3.607 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.723 2.447 -2.071 1.00 0.00 H new ATOM 347 N CYS A 44 -13.728 1.694 0.437 1.00 0.00 N ATOM 348 CA CYS A 44 -14.232 2.312 1.694 1.00 0.00 C ATOM 349 C CYS A 44 -14.119 1.308 2.837 1.00 0.00 C ATOM 350 O CYS A 44 -14.009 1.679 3.986 1.00 0.00 O ATOM 351 CB CYS A 44 -15.692 2.721 1.514 1.00 0.00 C ATOM 352 SG CYS A 44 -15.760 4.255 0.562 1.00 0.00 S ATOM 0 H CYS A 44 -14.397 1.104 -0.058 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.636 3.195 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.243 1.934 0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.167 2.859 2.485 1.00 0.00 H new ATOM 353 N LYS A 45 -14.140 0.039 2.541 1.00 0.00 N ATOM 354 CA LYS A 45 -14.027 -0.965 3.633 1.00 0.00 C ATOM 355 C LYS A 45 -12.787 -0.648 4.468 1.00 0.00 C ATOM 356 O LYS A 45 -12.808 -0.714 5.680 1.00 0.00 O ATOM 357 CB LYS A 45 -13.901 -2.366 3.033 1.00 0.00 C ATOM 358 CG LYS A 45 -15.279 -2.868 2.600 1.00 0.00 C ATOM 359 CD LYS A 45 -15.167 -4.324 2.143 1.00 0.00 C ATOM 360 CE LYS A 45 -16.275 -4.631 1.134 1.00 0.00 C ATOM 361 NZ LYS A 45 -16.003 -5.944 0.482 1.00 0.00 N ATOM 0 H LYS A 45 -14.230 -0.343 1.600 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.916 -0.928 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.225 -2.346 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.469 -3.048 3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.984 -2.788 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.666 -2.250 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.191 -4.500 1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.247 -4.992 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.242 -4.656 1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.326 -3.843 0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.756 -6.153 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.088 -5.904 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.976 -6.691 1.205 1.00 0.00 H new ATOM 362 N MET A 46 -11.710 -0.288 3.825 1.00 0.00 N ATOM 363 CA MET A 46 -10.472 0.052 4.579 1.00 0.00 C ATOM 364 C MET A 46 -10.621 1.464 5.142 1.00 0.00 C ATOM 365 O MET A 46 -10.260 1.738 6.269 1.00 0.00 O ATOM 366 CB MET A 46 -9.266 -0.001 3.640 1.00 0.00 C ATOM 367 CG MET A 46 -8.956 -1.458 3.289 1.00 0.00 C ATOM 368 SD MET A 46 -7.448 -1.531 2.291 1.00 0.00 S ATOM 369 CE MET A 46 -6.270 -1.264 3.640 1.00 0.00 C ATOM 0 H MET A 46 -11.635 -0.215 2.810 1.00 0.00 H new ATOM 0 HA MET A 46 -10.321 -0.661 5.389 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.473 0.567 2.733 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.401 0.462 4.115 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.831 -2.044 4.200 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.790 -1.896 2.740 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.715 -0.343 3.461 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.809 -1.185 4.584 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.576 -2.103 3.688 1.00 0.00 H new ATOM 370 N ILE A 47 -11.166 2.359 4.364 1.00 0.00 N ATOM 371 CA ILE A 47 -11.358 3.752 4.850 1.00 0.00 C ATOM 372 C ILE A 47 -12.403 3.745 5.965 1.00 0.00 C ATOM 373 O ILE A 47 -12.445 4.630 6.797 1.00 0.00 O ATOM 374 CB ILE A 47 -11.840 4.633 3.694 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.773 4.666 2.596 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.089 6.054 4.203 1.00 0.00 C ATOM 377 CD1 ILE A 47 -9.429 5.077 3.201 1.00 0.00 C ATOM 0 H ILE A 47 -11.487 2.184 3.412 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.417 4.148 5.231 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.766 4.224 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.688 3.686 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.062 5.369 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.432 6.681 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.849 6.033 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.163 6.463 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.670 5.100 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.519 6.067 3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.139 4.357 3.967 1.00 0.00 H new ATOM 378 N LEU A 48 -13.245 2.745 5.993 1.00 0.00 N ATOM 379 CA LEU A 48 -14.283 2.673 7.057 1.00 0.00 C ATOM 380 C LEU A 48 -13.595 2.480 8.408 1.00 0.00 C ATOM 381 O LEU A 48 -13.988 3.052 9.405 1.00 0.00 O ATOM 382 CB LEU A 48 -15.211 1.484 6.785 1.00 0.00 C ATOM 383 CG LEU A 48 -16.599 1.755 7.376 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.458 2.375 8.769 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.366 2.715 6.463 1.00 0.00 C ATOM 0 H LEU A 48 -13.257 1.976 5.323 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.867 3.593 7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.291 1.313 5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.792 0.578 7.222 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.145 0.815 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.448 2.566 9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.917 1.688 9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.908 3.313 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.353 2.907 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.818 3.654 6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.474 2.269 5.474 1.00 0.00 H new ATOM 386 N GLU A 49 -12.564 1.680 8.445 1.00 0.00 N ATOM 387 CA GLU A 49 -11.845 1.453 9.730 1.00 0.00 C ATOM 388 C GLU A 49 -11.133 2.742 10.142 1.00 0.00 C ATOM 389 O GLU A 49 -11.056 3.076 11.308 1.00 0.00 O ATOM 390 CB GLU A 49 -10.816 0.335 9.547 1.00 0.00 C ATOM 391 CG GLU A 49 -11.533 -0.957 9.152 1.00 0.00 C ATOM 392 CD GLU A 49 -12.516 -1.353 10.257 1.00 0.00 C ATOM 393 OE1 GLU A 49 -12.380 -0.839 11.355 1.00 0.00 O ATOM 394 OE2 GLU A 49 -13.387 -2.163 9.984 1.00 0.00 O ATOM 0 H GLU A 49 -12.189 1.175 7.642 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.557 1.165 10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.094 0.613 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.257 0.186 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.064 -0.817 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.807 -1.754 8.993 1.00 0.00 H new ATOM 395 N LYS A 50 -10.614 3.473 9.192 1.00 0.00 N ATOM 396 CA LYS A 50 -9.913 4.742 9.529 1.00 0.00 C ATOM 397 C LYS A 50 -10.884 5.678 10.251 1.00 0.00 C ATOM 398 O LYS A 50 -10.516 6.385 11.167 1.00 0.00 O ATOM 399 CB LYS A 50 -9.420 5.410 8.243 1.00 0.00 C ATOM 400 CG LYS A 50 -8.342 4.538 7.595 1.00 0.00 C ATOM 401 CD LYS A 50 -7.710 5.297 6.428 1.00 0.00 C ATOM 402 CE LYS A 50 -6.791 4.356 5.646 1.00 0.00 C ATOM 403 NZ LYS A 50 -7.574 3.181 5.167 1.00 0.00 N ATOM 0 H LYS A 50 -10.646 3.245 8.198 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.061 4.529 10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.251 5.552 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.018 6.399 8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.580 4.277 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.778 3.603 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.487 5.691 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.143 6.151 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.350 4.882 4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.968 4.024 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.211 2.316 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.576 3.306 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.482 3.100 4.134 1.00 0.00 H new ATOM 404 N GLU A 51 -12.125 5.684 9.845 1.00 0.00 N ATOM 405 CA GLU A 51 -13.122 6.570 10.508 1.00 0.00 C ATOM 406 C GLU A 51 -13.205 6.215 11.994 1.00 0.00 C ATOM 407 O GLU A 51 -13.408 7.068 12.835 1.00 0.00 O ATOM 408 CB GLU A 51 -14.493 6.373 9.858 1.00 0.00 C ATOM 409 CG GLU A 51 -14.423 6.785 8.386 1.00 0.00 C ATOM 410 CD GLU A 51 -15.790 6.575 7.732 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.616 5.907 8.334 1.00 0.00 O ATOM 412 OE2 GLU A 51 -15.988 7.084 6.641 1.00 0.00 O ATOM 0 H GLU A 51 -12.491 5.113 9.083 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.816 7.610 10.398 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.800 5.330 9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.243 6.969 10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.125 7.830 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.666 6.196 7.868 1.00 0.00 H new ATOM 413 N ALA A 52 -13.046 4.962 12.323 1.00 0.00 N ATOM 414 CA ALA A 52 -13.113 4.554 13.753 1.00 0.00 C ATOM 415 C ALA A 52 -11.982 5.235 14.525 1.00 0.00 C ATOM 416 O ALA A 52 -12.096 5.504 15.705 1.00 0.00 O ATOM 417 CB ALA A 52 -12.961 3.035 13.858 1.00 0.00 C ATOM 0 H ALA A 52 -12.873 4.204 11.663 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.074 4.851 14.174 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.010 2.736 14.905 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.765 2.550 13.304 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.000 2.736 13.440 1.00 0.00 H new ATOM 418 N LYS A 53 -10.891 5.518 13.868 1.00 0.00 N ATOM 419 CA LYS A 53 -9.754 6.184 14.563 1.00 0.00 C ATOM 420 C LYS A 53 -10.203 7.558 15.064 1.00 0.00 C ATOM 421 O LYS A 53 -9.742 8.040 16.080 1.00 0.00 O ATOM 422 CB LYS A 53 -8.588 6.353 13.587 1.00 0.00 C ATOM 423 CG LYS A 53 -8.183 4.985 13.034 1.00 0.00 C ATOM 424 CD LYS A 53 -7.622 4.123 14.165 1.00 0.00 C ATOM 425 CE LYS A 53 -7.018 2.844 13.581 1.00 0.00 C ATOM 426 NZ LYS A 53 -6.899 1.816 14.653 1.00 0.00 N ATOM 0 H LYS A 53 -10.738 5.317 12.880 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.434 5.574 15.407 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.876 7.016 12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.741 6.818 14.092 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.045 4.494 12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.436 5.105 12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.863 4.677 14.717 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.412 3.874 14.873 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.645 2.470 12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.038 3.054 13.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.489 0.947 14.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.284 2.175 15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.841 1.608 15.041 1.00 0.00 H new ATOM 427 N SER A 54 -11.100 8.192 14.359 1.00 0.00 N ATOM 428 CA SER A 54 -11.578 9.533 14.795 1.00 0.00 C ATOM 429 C SER A 54 -12.239 9.415 16.170 1.00 0.00 C ATOM 430 O SER A 54 -12.257 10.353 16.944 1.00 0.00 O ATOM 431 CB SER A 54 -12.597 10.065 13.784 1.00 0.00 C ATOM 432 OG SER A 54 -12.948 11.398 14.122 1.00 0.00 O ATOM 0 H SER A 54 -11.522 7.839 13.500 1.00 0.00 H new ATOM 0 HA SER A 54 -10.733 10.219 14.854 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.178 10.032 12.778 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.485 9.434 13.781 1.00 0.00 H new ATOM 0 HG SER A 54 -13.599 11.739 13.474 1.00 0.00 H new ATOM 433 N GLN A 55 -12.782 8.270 16.481 1.00 0.00 N ATOM 434 CA GLN A 55 -13.440 8.093 17.806 1.00 0.00 C ATOM 435 C GLN A 55 -14.403 9.256 18.057 1.00 0.00 C ATOM 436 O GLN A 55 -15.449 9.278 17.431 1.00 0.00 O ATOM 437 CB GLN A 55 -12.374 8.066 18.905 1.00 0.00 C ATOM 438 CG GLN A 55 -11.448 6.869 18.686 1.00 0.00 C ATOM 439 CD GLN A 55 -10.319 6.902 19.719 1.00 0.00 C ATOM 440 OE1 GLN A 55 -10.074 7.919 20.336 1.00 0.00 O ATOM 441 NE2 GLN A 55 -9.617 5.823 19.934 1.00 0.00 N ATOM 442 OXT GLN A 55 -14.076 10.103 18.871 1.00 0.00 O ATOM 0 H GLN A 55 -12.798 7.450 15.875 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.994 7.155 17.814 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.799 8.992 18.892 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.847 7.999 19.884 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.010 5.939 18.775 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.034 6.895 17.678 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.823 4.969 19.416 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.863 5.834 20.620 1.00 0.00 H new TER 443 GLN A 55