USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=34 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 71 SER OG : rot -179:sc= 0 USER MOD Set 1.2: A 82 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.5!) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= -0.128 USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 28 THR OG1 : rot -76:sc= 0.0398! USER MOD Set 3.2: A 31 SER OG : rot 94:sc= -3.91! USER MOD Set 4.1: A 7 SER OG : rot 180:sc= 0.13 USER MOD Set 4.2: A 21 SER OG : rot 86:sc= -0.18 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 13 GLN : amide:sc= -2.26! C(o=-2.3!,f=-4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -171:sc= -4.58! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 143:sc= -15.8! (180deg=-19.5!) USER MOD Single : A 35 SER OG : rot 138:sc= -8.01! USER MOD Single : A 39 GLN : amide:sc= -6.84! C(o=-6.8!,f=-10!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -91:sc= -9.62! USER MOD Single : A 52 SER OG : rot -150:sc= 0 USER MOD Single : A 54 SER OG : rot -97:sc= 0.644 USER MOD Single : A 57 SER OG : rot 45:sc= 0.904 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.52! C(o=-2.5!,f=-2.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -123:sc= -24.4! (180deg=-30.5!) USER MOD Single : A 84 ASN : amide:sc= 0.111 K(o=0.11,f=-1.4) USER MOD Single : A 85 SER OG : rot -44:sc= 0.0343 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -135:sc= 0.463 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -150:sc= -0.0347 (180deg=-0.965) USER MOD Single : A 101 LYS NZ :NH3+ -135:sc= 0.117 (180deg=-0.319) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -2.11! USER MOD Single : A 109 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.062) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -13.118 10.444 -11.722 1.00 0.00 N ATOM 11 CA VAL A 2 -11.904 9.662 -12.082 1.00 0.00 C ATOM 12 C VAL A 2 -12.308 8.203 -12.342 1.00 0.00 C ATOM 13 O VAL A 2 -13.409 7.794 -12.037 1.00 0.00 O ATOM 14 CB VAL A 2 -10.881 9.753 -10.933 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.164 8.681 -9.877 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.468 9.557 -11.492 1.00 0.00 C ATOM 0 HA VAL A 2 -11.446 10.065 -12.985 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.962 10.735 -10.467 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.432 8.760 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.165 8.825 -9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.096 7.694 -10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.743 9.621 -10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.397 8.578 -11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.257 10.332 -12.229 1.00 0.00 H new ATOM 17 N GLN A 3 -11.427 7.416 -12.897 1.00 0.00 N ATOM 18 CA GLN A 3 -11.764 5.986 -13.165 1.00 0.00 C ATOM 19 C GLN A 3 -10.577 5.144 -12.726 1.00 0.00 C ATOM 20 O GLN A 3 -9.452 5.578 -12.824 1.00 0.00 O ATOM 21 CB GLN A 3 -12.019 5.783 -14.660 1.00 0.00 C ATOM 22 CG GLN A 3 -13.469 5.341 -14.872 1.00 0.00 C ATOM 23 CD GLN A 3 -13.533 4.336 -16.023 1.00 0.00 C ATOM 24 OE1 GLN A 3 -13.085 4.617 -17.116 1.00 0.00 O ATOM 25 NE2 GLN A 3 -14.078 3.166 -15.823 1.00 0.00 N ATOM 0 H GLN A 3 -10.488 7.700 -13.177 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.663 5.696 -12.621 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.826 6.709 -15.202 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.336 5.032 -15.058 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.860 4.891 -13.960 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.095 6.205 -15.094 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.455 2.929 -14.905 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.127 2.489 -16.585 1.00 0.00 H new ATOM 26 N LEU A 4 -10.792 3.966 -12.203 1.00 0.00 N ATOM 27 CA LEU A 4 -9.614 3.181 -11.737 1.00 0.00 C ATOM 28 C LEU A 4 -10.032 1.889 -11.030 1.00 0.00 C ATOM 29 O LEU A 4 -11.161 1.725 -10.615 1.00 0.00 O ATOM 30 CB LEU A 4 -8.813 4.024 -10.738 1.00 0.00 C ATOM 31 CG LEU A 4 -9.698 5.101 -10.080 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.692 4.926 -8.559 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.158 6.488 -10.451 1.00 0.00 C ATOM 0 H LEU A 4 -11.703 3.524 -12.081 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.021 2.926 -12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.391 3.377 -9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.976 4.500 -11.249 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.723 5.001 -10.438 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.320 5.691 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.079 3.939 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.673 5.023 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.779 7.256 -9.989 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.133 6.587 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.178 6.608 -11.534 1.00 0.00 H new ATOM 34 N VAL A 5 -9.094 0.985 -10.865 1.00 0.00 N ATOM 35 CA VAL A 5 -9.382 -0.303 -10.151 1.00 0.00 C ATOM 36 C VAL A 5 -8.099 -1.146 -10.056 1.00 0.00 C ATOM 37 O VAL A 5 -7.648 -1.719 -11.027 1.00 0.00 O ATOM 38 CB VAL A 5 -10.473 -1.110 -10.879 1.00 0.00 C ATOM 39 CG1 VAL A 5 -11.848 -0.720 -10.334 1.00 0.00 C ATOM 40 CG2 VAL A 5 -10.439 -0.845 -12.388 1.00 0.00 C ATOM 0 H VAL A 5 -8.135 1.084 -11.196 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.740 -0.062 -9.150 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.286 -2.170 -10.706 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.619 -1.292 -10.850 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.890 -0.935 -9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.015 0.345 -10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.220 -1.427 -12.877 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.606 0.216 -12.575 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.467 -1.135 -12.786 1.00 0.00 H new ATOM 41 N GLU A 6 -7.510 -1.228 -8.882 1.00 0.00 N ATOM 42 CA GLU A 6 -6.258 -2.037 -8.707 1.00 0.00 C ATOM 43 C GLU A 6 -6.365 -3.336 -9.515 1.00 0.00 C ATOM 44 O GLU A 6 -7.438 -3.736 -9.920 1.00 0.00 O ATOM 45 CB GLU A 6 -6.080 -2.384 -7.225 1.00 0.00 C ATOM 46 CG GLU A 6 -7.444 -2.650 -6.587 1.00 0.00 C ATOM 47 CD GLU A 6 -8.238 -3.626 -7.457 1.00 0.00 C ATOM 48 OE1 GLU A 6 -7.895 -4.797 -7.463 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.174 -3.187 -8.103 1.00 0.00 O ATOM 0 H GLU A 6 -7.845 -0.768 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.404 -1.458 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.443 -3.262 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.580 -1.565 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.314 -3.062 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.994 -1.715 -6.478 1.00 0.00 H new ATOM 50 N SER A 7 -5.267 -4.006 -9.748 1.00 0.00 N ATOM 51 CA SER A 7 -5.331 -5.280 -10.526 1.00 0.00 C ATOM 52 C SER A 7 -3.932 -5.888 -10.628 1.00 0.00 C ATOM 53 O SER A 7 -2.937 -5.209 -10.465 1.00 0.00 O ATOM 54 CB SER A 7 -5.863 -4.998 -11.931 1.00 0.00 C ATOM 55 OG SER A 7 -4.769 -4.846 -12.825 1.00 0.00 O ATOM 0 H SER A 7 -4.336 -3.730 -9.437 1.00 0.00 H new ATOM 0 HA SER A 7 -5.997 -5.978 -10.018 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.506 -5.815 -12.260 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.473 -4.094 -11.927 1.00 0.00 H new ATOM 0 HG SER A 7 -5.106 -4.666 -13.727 1.00 0.00 H new ATOM 56 N GLY A 8 -3.842 -7.163 -10.899 1.00 0.00 N ATOM 57 CA GLY A 8 -2.501 -7.801 -11.014 1.00 0.00 C ATOM 58 C GLY A 8 -2.568 -9.261 -10.562 1.00 0.00 C ATOM 59 O GLY A 8 -3.109 -10.109 -11.244 1.00 0.00 O ATOM 0 H GLY A 8 -4.636 -7.787 -11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.153 -7.748 -12.045 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.779 -7.257 -10.405 1.00 0.00 H new ATOM 60 N GLY A 9 -2.012 -9.561 -9.419 1.00 0.00 N ATOM 61 CA GLY A 9 -2.029 -10.963 -8.924 1.00 0.00 C ATOM 62 C GLY A 9 -0.741 -11.667 -9.365 1.00 0.00 C ATOM 63 O GLY A 9 -0.768 -12.644 -10.088 1.00 0.00 O ATOM 0 H GLY A 9 -1.546 -8.892 -8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.112 -10.977 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.899 -11.490 -9.317 1.00 0.00 H new ATOM 64 N GLY A 10 0.388 -11.173 -8.933 1.00 0.00 N ATOM 65 CA GLY A 10 1.688 -11.797 -9.317 1.00 0.00 C ATOM 66 C GLY A 10 2.203 -12.645 -8.145 1.00 0.00 C ATOM 67 O GLY A 10 1.778 -12.477 -7.017 1.00 0.00 O ATOM 0 H GLY A 10 0.466 -10.357 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.560 -12.419 -10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.415 -11.026 -9.571 1.00 0.00 H new ATOM 68 N LEU A 11 3.121 -13.548 -8.392 1.00 0.00 N ATOM 69 CA LEU A 11 3.658 -14.380 -7.273 1.00 0.00 C ATOM 70 C LEU A 11 4.866 -13.661 -6.671 1.00 0.00 C ATOM 71 O LEU A 11 5.646 -13.048 -7.372 1.00 0.00 O ATOM 72 CB LEU A 11 4.069 -15.759 -7.789 1.00 0.00 C ATOM 73 CG LEU A 11 2.831 -16.493 -8.311 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.256 -17.592 -9.288 1.00 0.00 C ATOM 75 CD2 LEU A 11 2.078 -17.117 -7.133 1.00 0.00 C ATOM 0 H LEU A 11 3.518 -13.743 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 11 2.890 -14.517 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.808 -15.657 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.537 -16.334 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 11 2.181 -15.787 -8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.372 -18.112 -9.657 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.792 -17.146 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.907 -18.301 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.196 -17.640 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.730 -17.822 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.772 -16.333 -6.440 1.00 0.00 H new ATOM 76 N VAL A 12 5.010 -13.699 -5.376 1.00 0.00 N ATOM 77 CA VAL A 12 6.150 -12.975 -4.732 1.00 0.00 C ATOM 78 C VAL A 12 6.900 -13.875 -3.752 1.00 0.00 C ATOM 79 O VAL A 12 7.045 -13.539 -2.594 1.00 0.00 O ATOM 80 CB VAL A 12 5.643 -11.751 -3.948 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.096 -10.469 -4.648 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.112 -11.758 -3.840 1.00 0.00 C ATOM 0 H VAL A 12 4.392 -14.197 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 12 6.819 -12.665 -5.535 1.00 0.00 H new ATOM 0 HB VAL A 12 6.060 -11.794 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.736 -9.604 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.185 -10.444 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.691 -10.444 -5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.783 -10.882 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.677 -11.736 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.788 -12.661 -3.323 1.00 0.00 H new ATOM 83 N GLN A 13 7.393 -14.996 -4.184 1.00 0.00 N ATOM 84 CA GLN A 13 8.154 -15.860 -3.234 1.00 0.00 C ATOM 85 C GLN A 13 9.149 -14.956 -2.496 1.00 0.00 C ATOM 86 O GLN A 13 9.315 -13.811 -2.867 1.00 0.00 O ATOM 87 CB GLN A 13 8.913 -16.938 -4.012 1.00 0.00 C ATOM 88 CG GLN A 13 8.424 -18.324 -3.585 1.00 0.00 C ATOM 89 CD GLN A 13 9.621 -19.262 -3.423 1.00 0.00 C ATOM 90 OE1 GLN A 13 10.697 -18.984 -3.912 1.00 0.00 O ATOM 91 NE2 GLN A 13 9.479 -20.369 -2.747 1.00 0.00 N ATOM 0 H GLN A 13 7.307 -15.352 -5.136 1.00 0.00 H new ATOM 0 HA GLN A 13 7.481 -16.352 -2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.761 -16.802 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.983 -16.847 -3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.874 -18.254 -2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.734 -18.723 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.575 -20.603 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.272 -21.000 -2.630 1.00 0.00 H new ATOM 92 N PRO A 14 9.790 -15.472 -1.488 1.00 0.00 N ATOM 93 CA PRO A 14 10.764 -14.682 -0.721 1.00 0.00 C ATOM 94 C PRO A 14 11.969 -14.360 -1.599 1.00 0.00 C ATOM 95 O PRO A 14 12.724 -15.228 -1.991 1.00 0.00 O ATOM 96 CB PRO A 14 11.112 -15.582 0.467 1.00 0.00 C ATOM 97 CG PRO A 14 10.731 -17.018 0.043 1.00 0.00 C ATOM 98 CD PRO A 14 9.637 -16.868 -1.032 1.00 0.00 C ATOM 0 HA PRO A 14 10.389 -13.716 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.173 -15.516 0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.562 -15.280 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.596 -17.550 -0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.365 -17.592 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.778 -17.575 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.644 -17.050 -0.622 1.00 0.00 H new ATOM 99 N GLY A 15 12.121 -13.111 -1.945 1.00 0.00 N ATOM 100 CA GLY A 15 13.239 -12.710 -2.838 1.00 0.00 C ATOM 101 C GLY A 15 12.749 -12.863 -4.276 1.00 0.00 C ATOM 102 O GLY A 15 13.510 -13.125 -5.186 1.00 0.00 O ATOM 0 H GLY A 15 11.514 -12.348 -1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.537 -11.680 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.115 -13.335 -2.662 1.00 0.00 H new ATOM 103 N GLY A 16 11.464 -12.726 -4.473 1.00 0.00 N ATOM 104 CA GLY A 16 10.886 -12.887 -5.835 1.00 0.00 C ATOM 105 C GLY A 16 10.600 -11.520 -6.468 1.00 0.00 C ATOM 106 O GLY A 16 11.488 -10.710 -6.652 1.00 0.00 O ATOM 0 H GLY A 16 10.787 -12.508 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.577 -13.447 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.965 -13.467 -5.778 1.00 0.00 H new ATOM 107 N SER A 17 9.363 -11.264 -6.814 1.00 0.00 N ATOM 108 CA SER A 17 9.005 -9.961 -7.450 1.00 0.00 C ATOM 109 C SER A 17 7.530 -10.008 -7.857 1.00 0.00 C ATOM 110 O SER A 17 6.990 -11.065 -8.114 1.00 0.00 O ATOM 111 CB SER A 17 9.873 -9.742 -8.691 1.00 0.00 C ATOM 112 OG SER A 17 9.665 -10.813 -9.603 1.00 0.00 O ATOM 0 H SER A 17 8.582 -11.906 -6.682 1.00 0.00 H new ATOM 0 HA SER A 17 9.173 -9.143 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.620 -8.793 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.924 -9.688 -8.409 1.00 0.00 H new ATOM 0 HG SER A 17 10.218 -10.676 -10.400 1.00 0.00 H new ATOM 113 N LEU A 18 6.859 -8.886 -7.898 1.00 0.00 N ATOM 114 CA LEU A 18 5.420 -8.911 -8.263 1.00 0.00 C ATOM 115 C LEU A 18 5.125 -7.923 -9.382 1.00 0.00 C ATOM 116 O LEU A 18 5.889 -7.020 -9.650 1.00 0.00 O ATOM 117 CB LEU A 18 4.606 -8.509 -7.040 1.00 0.00 C ATOM 118 CG LEU A 18 3.626 -9.608 -6.624 1.00 0.00 C ATOM 119 CD1 LEU A 18 2.311 -9.408 -7.356 1.00 0.00 C ATOM 120 CD2 LEU A 18 4.167 -11.002 -6.947 1.00 0.00 C ATOM 0 H LEU A 18 7.245 -7.964 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 18 5.160 -9.914 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.279 -8.289 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.055 -7.593 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 18 3.483 -9.540 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.609 -10.189 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.897 -8.433 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.482 -9.459 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.442 -11.755 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.340 -11.086 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.105 -11.161 -6.415 1.00 0.00 H new ATOM 121 N ARG A 19 4.002 -8.093 -10.025 1.00 0.00 N ATOM 122 CA ARG A 19 3.627 -7.173 -11.122 1.00 0.00 C ATOM 123 C ARG A 19 2.121 -6.885 -11.067 1.00 0.00 C ATOM 124 O ARG A 19 1.319 -7.608 -11.628 1.00 0.00 O ATOM 125 CB ARG A 19 3.985 -7.820 -12.457 1.00 0.00 C ATOM 126 CG ARG A 19 3.594 -6.887 -13.602 1.00 0.00 C ATOM 127 CD ARG A 19 4.368 -7.277 -14.861 1.00 0.00 C ATOM 128 NE ARG A 19 3.414 -7.753 -15.901 1.00 0.00 N ATOM 129 CZ ARG A 19 3.737 -8.755 -16.670 1.00 0.00 C ATOM 130 NH1 ARG A 19 4.510 -8.561 -17.703 1.00 0.00 N ATOM 131 NH2 ARG A 19 3.288 -9.950 -16.405 1.00 0.00 N ATOM 0 H ARG A 19 3.329 -8.835 -9.833 1.00 0.00 H new ATOM 0 HA ARG A 19 4.168 -6.233 -11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.054 -8.030 -12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.468 -8.774 -12.560 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.522 -6.950 -13.787 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.811 -5.853 -13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.932 -6.422 -15.234 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.091 -8.059 -14.629 1.00 0.00 H new ATOM 0 HE ARG A 19 2.509 -7.296 -16.011 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.861 -7.626 -17.909 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.763 -9.345 -18.305 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.684 -10.100 -15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.540 -10.734 -17.006 1.00 0.00 H new ATOM 132 N LEU A 20 1.732 -5.836 -10.391 1.00 0.00 N ATOM 133 CA LEU A 20 0.276 -5.498 -10.293 1.00 0.00 C ATOM 134 C LEU A 20 0.021 -4.155 -10.979 1.00 0.00 C ATOM 135 O LEU A 20 0.689 -3.806 -11.933 1.00 0.00 O ATOM 136 CB LEU A 20 -0.141 -5.418 -8.819 1.00 0.00 C ATOM 137 CG LEU A 20 0.563 -6.512 -8.020 1.00 0.00 C ATOM 138 CD1 LEU A 20 0.486 -7.829 -8.790 1.00 0.00 C ATOM 139 CD2 LEU A 20 2.025 -6.122 -7.799 1.00 0.00 C ATOM 0 H LEU A 20 2.358 -5.197 -9.901 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.311 -6.273 -10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.112 -4.439 -8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.222 -5.530 -8.731 1.00 0.00 H new ATOM 0 HG LEU A 20 0.076 -6.632 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.988 -8.612 -8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.558 -8.102 -8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.974 -7.714 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.528 -6.903 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.519 -6.002 -8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.072 -5.183 -7.248 1.00 0.00 H new ATOM 140 N SER A 21 -0.939 -3.393 -10.521 1.00 0.00 N ATOM 141 CA SER A 21 -1.199 -2.089 -11.190 1.00 0.00 C ATOM 142 C SER A 21 -2.436 -1.384 -10.621 1.00 0.00 C ATOM 143 O SER A 21 -3.072 -1.837 -9.690 1.00 0.00 O ATOM 144 CB SER A 21 -1.423 -2.345 -12.674 1.00 0.00 C ATOM 145 OG SER A 21 -2.031 -3.618 -12.850 1.00 0.00 O ATOM 0 H SER A 21 -1.542 -3.613 -9.728 1.00 0.00 H new ATOM 0 HA SER A 21 -0.338 -1.443 -11.020 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.057 -1.566 -13.096 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.473 -2.307 -13.208 1.00 0.00 H new ATOM 0 HG SER A 21 -3.003 -3.531 -12.761 1.00 0.00 H new ATOM 146 N CYS A 22 -2.768 -0.267 -11.216 1.00 0.00 N ATOM 147 CA CYS A 22 -3.946 0.535 -10.798 1.00 0.00 C ATOM 148 C CYS A 22 -4.721 0.919 -12.045 1.00 0.00 C ATOM 149 O CYS A 22 -4.262 1.731 -12.834 1.00 0.00 O ATOM 150 CB CYS A 22 -3.488 1.826 -10.137 1.00 0.00 C ATOM 151 SG CYS A 22 -3.087 1.501 -8.421 1.00 0.00 S ATOM 0 H CYS A 22 -2.250 0.131 -12.000 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.552 -0.048 -10.104 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.617 2.225 -10.657 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.272 2.580 -10.203 1.00 0.00 H new ATOM 152 N ALA A 23 -5.884 0.375 -12.235 1.00 0.00 N ATOM 153 CA ALA A 23 -6.663 0.770 -13.428 1.00 0.00 C ATOM 154 C ALA A 23 -6.823 2.279 -13.360 1.00 0.00 C ATOM 155 O ALA A 23 -6.772 2.856 -12.291 1.00 0.00 O ATOM 156 CB ALA A 23 -8.032 0.113 -13.405 1.00 0.00 C ATOM 0 H ALA A 23 -6.322 -0.315 -11.625 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.157 0.460 -14.342 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.594 0.413 -14.289 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.915 -0.971 -13.399 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.570 0.425 -12.510 1.00 0.00 H new ATOM 157 N ALA A 24 -7.015 2.927 -14.466 1.00 0.00 N ATOM 158 CA ALA A 24 -7.157 4.401 -14.426 1.00 0.00 C ATOM 159 C ALA A 24 -7.493 4.935 -15.818 1.00 0.00 C ATOM 160 O ALA A 24 -6.858 4.594 -16.811 1.00 0.00 O ATOM 161 CB ALA A 24 -5.851 5.015 -13.926 1.00 0.00 C ATOM 0 H ALA A 24 -7.080 2.504 -15.392 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.968 4.671 -13.749 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.948 6.100 -13.894 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.632 4.640 -12.926 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.039 4.743 -14.601 1.00 0.00 H new ATOM 162 N SER A 25 -8.499 5.767 -15.890 1.00 0.00 N ATOM 163 CA SER A 25 -8.920 6.334 -17.197 1.00 0.00 C ATOM 164 C SER A 25 -9.447 7.756 -16.989 1.00 0.00 C ATOM 165 O SER A 25 -9.588 8.213 -15.873 1.00 0.00 O ATOM 166 CB SER A 25 -10.037 5.463 -17.756 1.00 0.00 C ATOM 167 OG SER A 25 -9.689 5.028 -19.063 1.00 0.00 O ATOM 0 H SER A 25 -9.049 6.078 -15.090 1.00 0.00 H new ATOM 0 HA SER A 25 -8.076 6.360 -17.886 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.202 4.603 -17.107 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.971 6.024 -17.785 1.00 0.00 H new ATOM 0 HG SER A 25 -10.407 4.466 -19.423 1.00 0.00 H new ATOM 168 N GLY A 26 -9.747 8.450 -18.056 1.00 0.00 N ATOM 169 CA GLY A 26 -10.273 9.841 -17.925 1.00 0.00 C ATOM 170 C GLY A 26 -9.517 10.575 -16.819 1.00 0.00 C ATOM 171 O GLY A 26 -10.084 11.344 -16.068 1.00 0.00 O ATOM 0 H GLY A 26 -9.650 8.113 -19.014 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.161 10.373 -18.870 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.339 9.817 -17.697 1.00 0.00 H new ATOM 172 N PHE A 27 -8.242 10.337 -16.708 1.00 0.00 N ATOM 173 CA PHE A 27 -7.450 11.014 -15.645 1.00 0.00 C ATOM 174 C PHE A 27 -5.983 10.562 -15.727 1.00 0.00 C ATOM 175 O PHE A 27 -5.095 11.256 -15.284 1.00 0.00 O ATOM 176 CB PHE A 27 -8.066 10.662 -14.266 1.00 0.00 C ATOM 177 CG PHE A 27 -7.104 9.850 -13.411 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.899 10.421 -12.988 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.416 8.532 -13.048 1.00 0.00 C ATOM 180 CE1 PHE A 27 -5.008 9.686 -12.214 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.522 7.794 -12.265 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.317 8.368 -11.847 1.00 0.00 C ATOM 0 H PHE A 27 -7.713 9.703 -17.307 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.478 12.095 -15.780 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.333 11.580 -13.742 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.988 10.099 -14.412 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.660 11.437 -13.264 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.345 8.087 -13.372 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.077 10.130 -11.895 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.763 6.780 -11.983 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.626 7.798 -11.243 1.00 0.00 H new ATOM 183 N THR A 28 -5.738 9.388 -16.246 1.00 0.00 N ATOM 184 CA THR A 28 -4.348 8.853 -16.323 1.00 0.00 C ATOM 185 C THR A 28 -3.886 8.458 -14.914 1.00 0.00 C ATOM 186 O THR A 28 -4.567 7.717 -14.235 1.00 0.00 O ATOM 187 CB THR A 28 -3.384 9.860 -16.977 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.014 10.865 -16.052 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.065 10.506 -18.185 1.00 0.00 C ATOM 0 H THR A 28 -6.454 8.768 -16.625 1.00 0.00 H new ATOM 0 HA THR A 28 -4.342 7.969 -16.961 1.00 0.00 H new ATOM 0 HB THR A 28 -2.487 9.330 -17.297 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.753 11.499 -15.945 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.383 11.219 -18.649 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.331 9.735 -18.908 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.967 11.025 -17.860 1.00 0.00 H new ATOM 190 N PHE A 29 -2.724 8.873 -14.473 1.00 0.00 N ATOM 191 CA PHE A 29 -2.258 8.414 -13.125 1.00 0.00 C ATOM 192 C PHE A 29 -1.283 9.427 -12.519 1.00 0.00 C ATOM 193 O PHE A 29 -1.277 9.649 -11.330 1.00 0.00 O ATOM 194 CB PHE A 29 -1.555 7.062 -13.300 1.00 0.00 C ATOM 195 CG PHE A 29 -2.097 6.432 -14.554 1.00 0.00 C ATOM 196 CD1 PHE A 29 -1.678 6.904 -15.809 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.079 5.443 -14.470 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.243 6.375 -16.967 1.00 0.00 C ATOM 199 CE2 PHE A 29 -3.629 4.919 -15.628 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.217 5.385 -16.875 1.00 0.00 C ATOM 0 H PHE A 29 -2.090 9.495 -14.973 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.111 8.320 -12.453 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.476 7.197 -13.374 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.738 6.420 -12.438 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.922 7.673 -15.876 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.409 5.088 -13.505 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.926 6.733 -17.935 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.380 4.146 -15.564 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.655 4.976 -17.774 1.00 0.00 H new ATOM 201 N SER A 30 -0.465 10.039 -13.337 1.00 0.00 N ATOM 202 CA SER A 30 0.524 11.053 -12.842 1.00 0.00 C ATOM 203 C SER A 30 0.022 12.435 -13.219 1.00 0.00 C ATOM 204 O SER A 30 0.291 13.395 -12.529 1.00 0.00 O ATOM 205 CB SER A 30 1.879 10.807 -13.505 1.00 0.00 C ATOM 206 OG SER A 30 2.649 9.936 -12.688 1.00 0.00 O ATOM 0 H SER A 30 -0.438 9.878 -14.344 1.00 0.00 H new ATOM 0 HA SER A 30 0.634 10.974 -11.760 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.739 10.369 -14.493 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.405 11.751 -13.646 1.00 0.00 H new ATOM 0 HG SER A 30 3.565 9.888 -13.034 1.00 0.00 H new ATOM 207 N SER A 31 -0.727 12.556 -14.293 1.00 0.00 N ATOM 208 CA SER A 31 -1.245 13.915 -14.646 1.00 0.00 C ATOM 209 C SER A 31 -1.815 14.517 -13.362 1.00 0.00 C ATOM 210 O SER A 31 -1.469 15.614 -12.971 1.00 0.00 O ATOM 211 CB SER A 31 -2.321 13.826 -15.728 1.00 0.00 C ATOM 212 OG SER A 31 -3.358 12.969 -15.296 1.00 0.00 O ATOM 0 H SER A 31 -0.994 11.798 -14.921 1.00 0.00 H new ATOM 0 HA SER A 31 -0.447 14.540 -15.048 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.720 14.818 -15.941 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.888 13.451 -16.655 1.00 0.00 H new ATOM 0 HG SER A 31 -4.068 13.500 -14.879 1.00 0.00 H new ATOM 213 N TYR A 32 -2.627 13.768 -12.661 1.00 0.00 N ATOM 214 CA TYR A 32 -3.141 14.260 -11.355 1.00 0.00 C ATOM 215 C TYR A 32 -2.427 13.468 -10.262 1.00 0.00 C ATOM 216 O TYR A 32 -2.451 13.819 -9.099 1.00 0.00 O ATOM 217 CB TYR A 32 -4.654 14.055 -11.247 1.00 0.00 C ATOM 218 CG TYR A 32 -5.309 14.447 -12.544 1.00 0.00 C ATOM 219 CD1 TYR A 32 -5.159 13.634 -13.667 1.00 0.00 C ATOM 220 CD2 TYR A 32 -6.065 15.622 -12.623 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.766 13.991 -14.877 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.673 15.982 -13.833 1.00 0.00 C ATOM 223 CZ TYR A 32 -6.522 15.167 -14.960 1.00 0.00 C ATOM 224 OH TYR A 32 -7.120 15.521 -16.153 1.00 0.00 O ATOM 0 H TYR A 32 -2.953 12.842 -12.938 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.951 15.329 -11.255 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.875 13.013 -11.017 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.055 14.654 -10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.574 12.728 -13.603 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.180 16.251 -11.752 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.651 13.360 -15.746 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.258 16.888 -13.896 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.607 16.363 -16.037 1.00 0.00 H new ATOM 225 N ALA A 33 -1.766 12.406 -10.646 1.00 0.00 N ATOM 226 CA ALA A 33 -1.017 11.583 -9.666 1.00 0.00 C ATOM 227 C ALA A 33 -1.965 10.707 -8.859 1.00 0.00 C ATOM 228 O ALA A 33 -3.166 10.869 -8.901 1.00 0.00 O ATOM 229 CB ALA A 33 -0.248 12.483 -8.728 1.00 0.00 C ATOM 0 H ALA A 33 -1.717 12.075 -11.610 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.327 10.941 -10.213 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.301 11.875 -8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.453 13.091 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.943 13.134 -8.197 1.00 0.00 H new ATOM 230 N MET A 34 -1.424 9.781 -8.116 1.00 0.00 N ATOM 231 CA MET A 34 -2.279 8.889 -7.292 1.00 0.00 C ATOM 232 C MET A 34 -1.380 7.883 -6.575 1.00 0.00 C ATOM 233 O MET A 34 -0.354 7.485 -7.085 1.00 0.00 O ATOM 234 CB MET A 34 -3.281 8.153 -8.190 1.00 0.00 C ATOM 235 CG MET A 34 -2.579 7.015 -8.933 1.00 0.00 C ATOM 236 SD MET A 34 -2.738 5.485 -7.981 1.00 0.00 S ATOM 237 CE MET A 34 -1.901 4.406 -9.164 1.00 0.00 C ATOM 0 H MET A 34 -0.422 9.605 -8.046 1.00 0.00 H new ATOM 0 HA MET A 34 -2.836 9.475 -6.561 1.00 0.00 H new ATOM 0 HB2 MET A 34 -4.098 7.756 -7.588 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.721 8.849 -8.905 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.018 6.887 -9.923 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.526 7.257 -9.080 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.310 3.665 -8.626 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.642 3.900 -9.782 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.245 5.002 -9.799 1.00 0.00 H new ATOM 238 N SER A 35 -1.760 7.460 -5.409 1.00 0.00 N ATOM 239 CA SER A 35 -0.925 6.470 -4.673 1.00 0.00 C ATOM 240 C SER A 35 -1.617 5.142 -4.750 1.00 0.00 C ATOM 241 O SER A 35 -2.698 5.045 -5.283 1.00 0.00 O ATOM 242 CB SER A 35 -0.794 6.868 -3.214 1.00 0.00 C ATOM 243 OG SER A 35 0.121 7.949 -3.093 1.00 0.00 O ATOM 0 H SER A 35 -2.611 7.754 -4.930 1.00 0.00 H new ATOM 0 HA SER A 35 0.070 6.426 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.767 7.156 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.448 6.019 -2.625 1.00 0.00 H new ATOM 0 HG SER A 35 -0.230 8.604 -2.454 1.00 0.00 H new ATOM 244 N TRP A 36 -1.043 4.092 -4.260 1.00 0.00 N ATOM 245 CA TRP A 36 -1.801 2.845 -4.407 1.00 0.00 C ATOM 246 C TRP A 36 -1.196 1.653 -3.658 1.00 0.00 C ATOM 247 O TRP A 36 0.011 1.547 -3.433 1.00 0.00 O ATOM 248 CB TRP A 36 -1.962 2.615 -5.905 1.00 0.00 C ATOM 249 CG TRP A 36 -1.010 1.626 -6.435 1.00 0.00 C ATOM 250 CD1 TRP A 36 0.198 1.921 -6.944 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.200 0.195 -6.585 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.757 0.769 -7.422 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.060 -0.340 -7.209 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.248 -0.683 -6.235 1.00 0.00 C ATOM 255 CZ2 TRP A 36 0.036 -1.713 -7.488 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.149 -2.047 -6.500 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.014 -2.564 -7.123 1.00 0.00 C ATOM 0 H TRP A 36 -0.138 4.042 -3.792 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.777 2.940 -3.930 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.979 2.280 -6.109 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.827 3.561 -6.430 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.650 2.901 -6.971 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.667 0.726 -7.881 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.135 -0.294 -5.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.912 -2.109 -7.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.956 -2.708 -6.221 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.945 -3.623 -7.324 1.00 0.00 H new ATOM 258 N VAL A 37 -2.108 0.792 -3.251 1.00 0.00 N ATOM 259 CA VAL A 37 -1.817 -0.439 -2.465 1.00 0.00 C ATOM 260 C VAL A 37 -2.328 -0.193 -1.029 1.00 0.00 C ATOM 261 O VAL A 37 -3.032 0.757 -0.829 1.00 0.00 O ATOM 262 CB VAL A 37 -0.317 -0.787 -2.503 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.085 -2.115 -1.815 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.150 -0.929 -3.948 1.00 0.00 C ATOM 0 H VAL A 37 -3.101 0.912 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.325 -1.302 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 37 0.233 0.010 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.977 -2.359 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.415 -2.050 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.650 -2.894 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.212 -1.175 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.414 -1.723 -4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.013 0.010 -4.477 1.00 0.00 H new ATOM 265 N ARG A 38 -2.021 -1.052 -0.064 1.00 0.00 N ATOM 266 CA ARG A 38 -2.485 -0.897 1.357 1.00 0.00 C ATOM 267 C ARG A 38 -3.495 -1.975 1.760 1.00 0.00 C ATOM 268 O ARG A 38 -4.677 -1.719 1.877 1.00 0.00 O ATOM 269 CB ARG A 38 -3.073 0.490 1.671 1.00 0.00 C ATOM 270 CG ARG A 38 -1.929 1.482 1.917 1.00 0.00 C ATOM 271 CD ARG A 38 -1.610 2.251 0.634 1.00 0.00 C ATOM 272 NE ARG A 38 -0.811 3.462 0.971 1.00 0.00 N ATOM 273 CZ ARG A 38 -1.301 4.651 0.746 1.00 0.00 C ATOM 274 NH1 ARG A 38 -2.546 4.909 1.042 1.00 0.00 N ATOM 275 NH2 ARG A 38 -0.549 5.579 0.223 1.00 0.00 N ATOM 0 H ARG A 38 -1.447 -1.881 -0.218 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.577 -1.014 1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.693 0.831 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.717 0.435 2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.206 2.179 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.043 0.948 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.055 1.615 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.533 2.539 0.130 1.00 0.00 H new ATOM 0 HE ARG A 38 0.119 3.362 1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.135 4.182 1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.930 5.838 0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.423 5.376 -0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.933 6.508 0.048 1.00 0.00 H new ATOM 276 N GLN A 39 -3.016 -3.161 2.046 1.00 0.00 N ATOM 277 CA GLN A 39 -3.907 -4.257 2.517 1.00 0.00 C ATOM 278 C GLN A 39 -3.087 -5.543 2.615 1.00 0.00 C ATOM 279 O GLN A 39 -1.957 -5.598 2.176 1.00 0.00 O ATOM 280 CB GLN A 39 -5.072 -4.449 1.556 1.00 0.00 C ATOM 281 CG GLN A 39 -6.264 -5.038 2.316 1.00 0.00 C ATOM 282 CD GLN A 39 -7.354 -3.977 2.464 1.00 0.00 C ATOM 283 OE1 GLN A 39 -7.255 -2.903 1.904 1.00 0.00 O ATOM 284 NE2 GLN A 39 -8.400 -4.233 3.202 1.00 0.00 N ATOM 0 H GLN A 39 -2.031 -3.416 1.971 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.316 -4.001 3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.348 -3.495 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.781 -5.113 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.656 -5.904 1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.945 -5.386 3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.484 -5.134 3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.133 -3.532 3.308 1.00 0.00 H new ATOM 285 N ALA A 40 -3.631 -6.569 3.209 1.00 0.00 N ATOM 286 CA ALA A 40 -2.879 -7.837 3.351 1.00 0.00 C ATOM 287 C ALA A 40 -3.666 -8.767 4.278 1.00 0.00 C ATOM 288 O ALA A 40 -4.710 -8.394 4.775 1.00 0.00 O ATOM 289 CB ALA A 40 -1.518 -7.528 3.972 1.00 0.00 C ATOM 0 H ALA A 40 -4.572 -6.579 3.603 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.740 -8.314 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.951 -8.452 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.970 -6.842 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.660 -7.069 4.950 1.00 0.00 H new ATOM 290 N PRO A 41 -3.133 -9.937 4.509 1.00 0.00 N ATOM 291 CA PRO A 41 -3.771 -10.921 5.408 1.00 0.00 C ATOM 292 C PRO A 41 -3.659 -10.395 6.848 1.00 0.00 C ATOM 293 O PRO A 41 -4.018 -9.265 7.114 1.00 0.00 O ATOM 294 CB PRO A 41 -2.960 -12.205 5.149 1.00 0.00 C ATOM 295 CG PRO A 41 -1.607 -11.758 4.552 1.00 0.00 C ATOM 296 CD PRO A 41 -1.852 -10.383 3.914 1.00 0.00 C ATOM 0 HA PRO A 41 -4.833 -11.101 5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.811 -12.762 6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.488 -12.865 4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.842 -11.697 5.326 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.254 -12.474 3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.043 -9.688 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.919 -10.453 2.828 1.00 0.00 H new ATOM 297 N GLY A 42 -3.128 -11.149 7.776 1.00 0.00 N ATOM 298 CA GLY A 42 -2.977 -10.598 9.155 1.00 0.00 C ATOM 299 C GLY A 42 -1.784 -9.645 9.156 1.00 0.00 C ATOM 300 O GLY A 42 -1.377 -9.133 10.180 1.00 0.00 O ATOM 0 H GLY A 42 -2.798 -12.105 7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.884 -10.074 9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.821 -11.404 9.872 1.00 0.00 H new ATOM 301 N LYS A 43 -1.226 -9.402 7.998 1.00 0.00 N ATOM 302 CA LYS A 43 -0.071 -8.489 7.882 1.00 0.00 C ATOM 303 C LYS A 43 -0.549 -7.046 7.888 1.00 0.00 C ATOM 304 O LYS A 43 0.194 -6.136 7.577 1.00 0.00 O ATOM 305 CB LYS A 43 0.625 -8.775 6.553 1.00 0.00 C ATOM 306 CG LYS A 43 2.024 -8.157 6.565 1.00 0.00 C ATOM 307 CD LYS A 43 3.056 -9.232 6.909 1.00 0.00 C ATOM 308 CE LYS A 43 4.114 -8.642 7.843 1.00 0.00 C ATOM 309 NZ LYS A 43 3.673 -8.802 9.256 1.00 0.00 N ATOM 0 H LYS A 43 -1.535 -9.810 7.116 1.00 0.00 H new ATOM 0 HA LYS A 43 0.610 -8.642 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.693 -9.851 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.042 -8.364 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.249 -7.721 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.069 -7.348 7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.567 -10.081 7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.526 -9.605 5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.070 -9.143 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.267 -7.587 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.392 -8.401 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.771 -8.305 9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.548 -9.812 9.468 1.00 0.00 H new ATOM 310 N GLU A 44 -1.778 -6.820 8.232 1.00 0.00 N ATOM 311 CA GLU A 44 -2.267 -5.425 8.240 1.00 0.00 C ATOM 312 C GLU A 44 -2.015 -4.835 6.859 1.00 0.00 C ATOM 313 O GLU A 44 -1.568 -5.520 5.960 1.00 0.00 O ATOM 314 CB GLU A 44 -1.491 -4.653 9.302 1.00 0.00 C ATOM 315 CG GLU A 44 -2.439 -4.228 10.422 1.00 0.00 C ATOM 316 CD GLU A 44 -2.559 -2.702 10.441 1.00 0.00 C ATOM 317 OE1 GLU A 44 -1.555 -2.046 10.220 1.00 0.00 O ATOM 318 OE2 GLU A 44 -3.653 -2.217 10.676 1.00 0.00 O ATOM 0 H GLU A 44 -2.457 -7.531 8.505 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.331 -5.372 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.691 -5.274 9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.021 -3.776 8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.420 -4.678 10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.067 -4.586 11.382 1.00 0.00 H new ATOM 319 N ARG A 45 -2.307 -3.587 6.666 1.00 0.00 N ATOM 320 CA ARG A 45 -2.084 -2.992 5.318 1.00 0.00 C ATOM 321 C ARG A 45 -0.669 -3.272 4.845 1.00 0.00 C ATOM 322 O ARG A 45 0.093 -3.990 5.462 1.00 0.00 O ATOM 323 CB ARG A 45 -2.252 -1.478 5.344 1.00 0.00 C ATOM 324 CG ARG A 45 -3.638 -1.097 4.830 1.00 0.00 C ATOM 325 CD ARG A 45 -4.055 0.244 5.430 1.00 0.00 C ATOM 326 NE ARG A 45 -4.947 0.011 6.600 1.00 0.00 N ATOM 327 CZ ARG A 45 -6.093 0.628 6.681 1.00 0.00 C ATOM 328 NH1 ARG A 45 -6.137 1.931 6.631 1.00 0.00 N ATOM 329 NH2 ARG A 45 -7.195 -0.058 6.812 1.00 0.00 N ATOM 0 H ARG A 45 -2.686 -2.955 7.371 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.820 -3.441 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.117 -1.106 6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.485 -1.008 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.629 -1.033 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.361 -1.867 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.173 0.806 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.570 0.845 4.681 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.661 -0.632 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.275 2.467 6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.033 2.414 6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.160 -1.077 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.092 0.424 6.875 1.00 0.00 H new ATOM 330 N GLU A 46 -0.324 -2.685 3.745 1.00 0.00 N ATOM 331 CA GLU A 46 1.023 -2.865 3.179 1.00 0.00 C ATOM 332 C GLU A 46 1.028 -2.191 1.815 1.00 0.00 C ATOM 333 O GLU A 46 0.484 -2.711 0.863 1.00 0.00 O ATOM 334 CB GLU A 46 1.311 -4.359 3.042 1.00 0.00 C ATOM 335 CG GLU A 46 2.453 -4.585 2.048 1.00 0.00 C ATOM 336 CD GLU A 46 2.792 -6.076 1.996 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.401 -6.784 2.908 1.00 0.00 O ATOM 338 OE2 GLU A 46 3.438 -6.483 1.045 1.00 0.00 O ATOM 0 H GLU A 46 -0.936 -2.074 3.204 1.00 0.00 H new ATOM 0 HA GLU A 46 1.790 -2.427 3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.576 -4.777 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.416 -4.881 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.164 -4.232 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.330 -4.011 2.348 1.00 0.00 H new ATOM 339 N ILE A 47 1.607 -1.024 1.718 1.00 0.00 N ATOM 340 CA ILE A 47 1.621 -0.311 0.413 1.00 0.00 C ATOM 341 C ILE A 47 2.682 -0.922 -0.483 1.00 0.00 C ATOM 342 O ILE A 47 3.485 -1.732 -0.063 1.00 0.00 O ATOM 343 CB ILE A 47 1.962 1.178 0.616 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.435 1.980 -0.594 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.483 1.354 0.754 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.576 2.413 -1.545 1.00 0.00 C ATOM 0 H ILE A 47 2.069 -0.537 2.486 1.00 0.00 H new ATOM 0 HA ILE A 47 0.634 -0.402 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 47 1.491 1.545 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.715 1.374 -1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.904 2.863 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.716 2.409 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.839 0.784 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.974 0.993 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.159 2.974 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.283 3.041 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.091 1.529 -1.922 1.00 0.00 H new ATOM 347 N VAL A 48 2.725 -0.487 -1.696 1.00 0.00 N ATOM 348 CA VAL A 48 3.770 -0.969 -2.609 1.00 0.00 C ATOM 349 C VAL A 48 4.289 0.225 -3.394 1.00 0.00 C ATOM 350 O VAL A 48 5.468 0.332 -3.654 1.00 0.00 O ATOM 351 CB VAL A 48 3.246 -2.038 -3.553 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.428 -2.574 -4.349 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.634 -3.178 -2.740 1.00 0.00 C ATOM 0 H VAL A 48 2.074 0.188 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 48 4.571 -1.429 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 48 2.487 -1.623 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.083 -3.345 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.885 -1.761 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.163 -3.000 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.258 -3.946 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.394 -3.609 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.813 -2.793 -2.135 1.00 0.00 H new ATOM 354 N SER A 49 3.448 1.163 -3.756 1.00 0.00 N ATOM 355 CA SER A 49 4.007 2.329 -4.477 1.00 0.00 C ATOM 356 C SER A 49 2.935 3.330 -4.873 1.00 0.00 C ATOM 357 O SER A 49 1.745 3.074 -4.822 1.00 0.00 O ATOM 358 CB SER A 49 4.768 1.883 -5.727 1.00 0.00 C ATOM 359 OG SER A 49 4.685 0.477 -5.875 1.00 0.00 O ATOM 0 H SER A 49 2.442 1.169 -3.589 1.00 0.00 H new ATOM 0 HA SER A 49 4.692 2.820 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.354 2.374 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.812 2.187 -5.654 1.00 0.00 H new ATOM 0 HG SER A 49 5.442 0.055 -5.418 1.00 0.00 H new ATOM 360 N ALA A 50 3.382 4.486 -5.257 1.00 0.00 N ATOM 361 CA ALA A 50 2.454 5.570 -5.667 1.00 0.00 C ATOM 362 C ALA A 50 3.083 6.342 -6.812 1.00 0.00 C ATOM 363 O ALA A 50 4.099 5.945 -7.348 1.00 0.00 O ATOM 364 CB ALA A 50 2.235 6.485 -4.480 1.00 0.00 C ATOM 0 H ALA A 50 4.371 4.731 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 50 1.498 5.161 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.555 7.289 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.803 5.916 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.189 6.909 -4.167 1.00 0.00 H new ATOM 365 N VAL A 51 2.500 7.430 -7.212 1.00 0.00 N ATOM 366 CA VAL A 51 3.104 8.177 -8.336 1.00 0.00 C ATOM 367 C VAL A 51 2.765 9.656 -8.277 1.00 0.00 C ATOM 368 O VAL A 51 1.768 10.112 -8.804 1.00 0.00 O ATOM 369 CB VAL A 51 2.604 7.603 -9.661 1.00 0.00 C ATOM 370 CG1 VAL A 51 1.112 7.900 -9.816 1.00 0.00 C ATOM 371 CG2 VAL A 51 3.378 8.252 -10.809 1.00 0.00 C ATOM 0 H VAL A 51 1.648 7.828 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 51 4.186 8.072 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 51 2.758 6.524 -9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.756 7.490 -10.761 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.563 7.443 -8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.953 8.978 -9.805 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.027 7.848 -11.759 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.218 9.330 -10.792 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.441 8.041 -10.696 1.00 0.00 H new ATOM 372 N SER A 52 3.627 10.419 -7.692 1.00 0.00 N ATOM 373 CA SER A 52 3.412 11.874 -7.665 1.00 0.00 C ATOM 374 C SER A 52 4.112 12.423 -8.907 1.00 0.00 C ATOM 375 O SER A 52 4.903 13.340 -8.836 1.00 0.00 O ATOM 376 CB SER A 52 4.026 12.469 -6.399 1.00 0.00 C ATOM 377 OG SER A 52 2.999 12.709 -5.445 1.00 0.00 O ATOM 0 H SER A 52 4.476 10.094 -7.229 1.00 0.00 H new ATOM 0 HA SER A 52 2.352 12.127 -7.662 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.769 11.787 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.543 13.399 -6.635 1.00 0.00 H new ATOM 0 HG SER A 52 3.248 13.471 -4.881 1.00 0.00 H new ATOM 378 N GLY A 53 3.831 11.833 -10.049 1.00 0.00 N ATOM 379 CA GLY A 53 4.472 12.289 -11.317 1.00 0.00 C ATOM 380 C GLY A 53 4.196 13.771 -11.464 1.00 0.00 C ATOM 381 O GLY A 53 5.028 14.599 -11.151 1.00 0.00 O ATOM 0 H GLY A 53 3.182 11.053 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.545 12.100 -11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.071 11.739 -12.168 1.00 0.00 H new ATOM 382 N SER A 54 3.010 14.128 -11.878 1.00 0.00 N ATOM 383 CA SER A 54 2.693 15.571 -11.963 1.00 0.00 C ATOM 384 C SER A 54 3.054 16.162 -10.607 1.00 0.00 C ATOM 385 O SER A 54 3.341 17.334 -10.470 1.00 0.00 O ATOM 386 CB SER A 54 1.200 15.778 -12.236 1.00 0.00 C ATOM 387 OG SER A 54 0.436 15.259 -11.151 1.00 0.00 O ATOM 0 H SER A 54 2.263 13.491 -12.155 1.00 0.00 H new ATOM 0 HA SER A 54 3.244 16.047 -12.774 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.988 16.839 -12.367 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.918 15.279 -13.163 1.00 0.00 H new ATOM 0 HG SER A 54 0.126 14.356 -11.372 1.00 0.00 H new ATOM 388 N GLY A 55 3.059 15.323 -9.602 1.00 0.00 N ATOM 389 CA GLY A 55 3.418 15.774 -8.245 1.00 0.00 C ATOM 390 C GLY A 55 4.937 15.772 -8.108 1.00 0.00 C ATOM 391 O GLY A 55 5.659 16.082 -9.035 1.00 0.00 O ATOM 0 H GLY A 55 2.825 14.333 -9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.025 16.774 -8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.972 15.116 -7.499 1.00 0.00 H new ATOM 392 N GLY A 56 5.422 15.398 -6.961 1.00 0.00 N ATOM 393 CA GLY A 56 6.892 15.337 -6.747 1.00 0.00 C ATOM 394 C GLY A 56 7.188 14.195 -5.777 1.00 0.00 C ATOM 395 O GLY A 56 7.790 14.392 -4.739 1.00 0.00 O ATOM 0 H GLY A 56 4.858 15.129 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.407 15.174 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.257 16.282 -6.344 1.00 0.00 H new ATOM 396 N SER A 57 6.757 12.999 -6.091 1.00 0.00 N ATOM 397 CA SER A 57 7.010 11.864 -5.155 1.00 0.00 C ATOM 398 C SER A 57 6.744 10.520 -5.832 1.00 0.00 C ATOM 399 O SER A 57 6.555 10.423 -7.028 1.00 0.00 O ATOM 400 CB SER A 57 6.095 12.005 -3.938 1.00 0.00 C ATOM 401 OG SER A 57 6.816 12.623 -2.880 1.00 0.00 O ATOM 0 H SER A 57 6.248 12.762 -6.943 1.00 0.00 H new ATOM 0 HA SER A 57 8.056 11.894 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.219 12.601 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.734 11.026 -3.624 1.00 0.00 H new ATOM 0 HG SER A 57 7.319 13.387 -3.230 1.00 0.00 H new ATOM 402 N THR A 58 6.748 9.483 -5.044 1.00 0.00 N ATOM 403 CA THR A 58 6.519 8.100 -5.557 1.00 0.00 C ATOM 404 C THR A 58 6.653 7.159 -4.355 1.00 0.00 C ATOM 405 O THR A 58 7.634 7.209 -3.639 1.00 0.00 O ATOM 406 CB THR A 58 7.585 7.753 -6.602 1.00 0.00 C ATOM 407 OG1 THR A 58 8.769 8.491 -6.332 1.00 0.00 O ATOM 408 CG2 THR A 58 7.070 8.107 -7.998 1.00 0.00 C ATOM 0 H THR A 58 6.905 9.536 -4.037 1.00 0.00 H new ATOM 0 HA THR A 58 5.538 8.010 -6.024 1.00 0.00 H new ATOM 0 HB THR A 58 7.802 6.686 -6.557 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.452 8.269 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.830 7.860 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.162 7.541 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.851 9.174 -8.045 1.00 0.00 H new ATOM 409 N TYR A 59 5.682 6.331 -4.089 1.00 0.00 N ATOM 410 CA TYR A 59 5.792 5.447 -2.890 1.00 0.00 C ATOM 411 C TYR A 59 6.429 4.109 -3.230 1.00 0.00 C ATOM 412 O TYR A 59 6.473 3.699 -4.374 1.00 0.00 O ATOM 413 CB TYR A 59 4.428 5.211 -2.290 1.00 0.00 C ATOM 414 CG TYR A 59 4.470 5.645 -0.853 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.510 7.006 -0.542 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.479 4.688 0.165 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.556 7.415 0.797 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.525 5.091 1.503 1.00 0.00 C ATOM 419 CZ TYR A 59 4.562 6.456 1.821 1.00 0.00 C ATOM 420 OH TYR A 59 4.607 6.857 3.141 1.00 0.00 O ATOM 0 H TYR A 59 4.829 6.227 -4.638 1.00 0.00 H new ATOM 0 HA TYR A 59 6.432 5.956 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.670 5.773 -2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.157 4.158 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.505 7.742 -1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.450 3.637 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.587 8.467 1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.532 4.352 2.290 1.00 0.00 H new ATOM 0 HH TYR A 59 4.604 6.068 3.723 1.00 0.00 H new ATOM 421 N TYR A 60 6.956 3.452 -2.217 1.00 0.00 N ATOM 422 CA TYR A 60 7.657 2.142 -2.403 1.00 0.00 C ATOM 423 C TYR A 60 7.411 1.222 -1.200 1.00 0.00 C ATOM 424 O TYR A 60 8.341 0.863 -0.504 1.00 0.00 O ATOM 425 CB TYR A 60 9.162 2.400 -2.458 1.00 0.00 C ATOM 426 CG TYR A 60 9.514 3.182 -3.687 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.048 4.488 -3.834 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.301 2.599 -4.675 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.364 5.218 -4.979 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.629 3.321 -5.822 1.00 0.00 C ATOM 431 CZ TYR A 60 10.160 4.636 -5.979 1.00 0.00 C ATOM 432 OH TYR A 60 10.479 5.354 -7.114 1.00 0.00 O ATOM 0 H TYR A 60 6.927 3.779 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 60 7.284 1.677 -3.316 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.476 2.947 -1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.700 1.452 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.442 4.935 -3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.658 1.587 -4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.998 6.227 -5.097 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.242 2.870 -6.588 1.00 0.00 H new ATOM 0 HH TYR A 60 11.037 4.804 -7.703 1.00 0.00 H new ATOM 433 N ALA A 61 6.201 0.828 -0.934 1.00 0.00 N ATOM 434 CA ALA A 61 5.980 -0.070 0.238 1.00 0.00 C ATOM 435 C ALA A 61 6.480 0.620 1.509 1.00 0.00 C ATOM 436 O ALA A 61 6.748 1.806 1.519 1.00 0.00 O ATOM 437 CB ALA A 61 6.765 -1.367 0.041 1.00 0.00 C ATOM 0 H ALA A 61 5.367 1.081 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 61 4.916 -0.290 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.604 -2.023 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.424 -1.864 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.827 -1.140 -0.047 1.00 0.00 H new ATOM 438 N ASP A 62 6.620 -0.115 2.577 1.00 0.00 N ATOM 439 CA ASP A 62 7.120 0.494 3.843 1.00 0.00 C ATOM 440 C ASP A 62 8.522 -0.049 4.130 1.00 0.00 C ATOM 441 O ASP A 62 9.348 0.613 4.724 1.00 0.00 O ATOM 442 CB ASP A 62 6.185 0.144 5.010 1.00 0.00 C ATOM 443 CG ASP A 62 5.322 -1.069 4.653 1.00 0.00 C ATOM 444 OD1 ASP A 62 4.566 -0.975 3.700 1.00 0.00 O ATOM 445 OD2 ASP A 62 5.431 -2.072 5.340 1.00 0.00 O ATOM 0 H ASP A 62 6.410 -1.112 2.629 1.00 0.00 H new ATOM 0 HA ASP A 62 7.151 1.578 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.772 -0.069 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.547 0.997 5.243 1.00 0.00 H new ATOM 446 N SER A 63 8.797 -1.251 3.696 1.00 0.00 N ATOM 447 CA SER A 63 10.145 -1.843 3.927 1.00 0.00 C ATOM 448 C SER A 63 10.860 -2.007 2.588 1.00 0.00 C ATOM 449 O SER A 63 11.949 -2.541 2.516 1.00 0.00 O ATOM 450 CB SER A 63 9.999 -3.219 4.567 1.00 0.00 C ATOM 451 OG SER A 63 8.718 -3.323 5.176 1.00 0.00 O ATOM 0 H SER A 63 8.143 -1.849 3.190 1.00 0.00 H new ATOM 0 HA SER A 63 10.715 -1.186 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.120 -3.997 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.781 -3.371 5.311 1.00 0.00 H new ATOM 0 HG SER A 63 8.622 -4.208 5.586 1.00 0.00 H new ATOM 452 N VAL A 64 10.255 -1.561 1.525 1.00 0.00 N ATOM 453 CA VAL A 64 10.899 -1.705 0.196 1.00 0.00 C ATOM 454 C VAL A 64 11.190 -0.317 -0.368 1.00 0.00 C ATOM 455 O VAL A 64 11.211 -0.113 -1.565 1.00 0.00 O ATOM 456 CB VAL A 64 9.976 -2.462 -0.767 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.827 -3.357 -1.668 1.00 0.00 C ATOM 458 CG2 VAL A 64 8.984 -3.337 0.012 1.00 0.00 C ATOM 0 H VAL A 64 9.343 -1.104 1.521 1.00 0.00 H new ATOM 0 HA VAL A 64 11.826 -2.268 0.308 1.00 0.00 H new ATOM 0 HB VAL A 64 9.417 -1.740 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.180 -3.900 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.526 -2.743 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.382 -4.067 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.338 -3.866 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.533 -4.059 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.376 -2.708 0.662 1.00 0.00 H new ATOM 459 N LYS A 65 11.408 0.642 0.488 1.00 0.00 N ATOM 460 CA LYS A 65 11.694 2.021 0.003 1.00 0.00 C ATOM 461 C LYS A 65 12.965 2.008 -0.848 1.00 0.00 C ATOM 462 O LYS A 65 14.053 1.782 -0.355 1.00 0.00 O ATOM 463 CB LYS A 65 11.880 2.960 1.198 1.00 0.00 C ATOM 464 CG LYS A 65 13.095 2.519 2.015 1.00 0.00 C ATOM 465 CD LYS A 65 12.698 2.385 3.486 1.00 0.00 C ATOM 466 CE LYS A 65 13.033 0.976 3.979 1.00 0.00 C ATOM 467 NZ LYS A 65 14.319 1.006 4.731 1.00 0.00 N ATOM 0 H LYS A 65 11.401 0.531 1.502 1.00 0.00 H new ATOM 0 HA LYS A 65 10.858 2.374 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.016 3.984 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.987 2.951 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.472 1.567 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.901 3.245 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.226 3.127 4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.632 2.580 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.233 0.603 4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.109 0.292 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.547 0.048 5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.079 1.344 4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.230 1.646 5.546 1.00 0.00 H new ATOM 468 N GLY A 66 12.833 2.240 -2.126 1.00 0.00 N ATOM 469 CA GLY A 66 14.030 2.230 -3.016 1.00 0.00 C ATOM 470 C GLY A 66 14.143 0.861 -3.686 1.00 0.00 C ATOM 471 O GLY A 66 14.683 0.726 -4.766 1.00 0.00 O ATOM 0 H GLY A 66 11.948 2.436 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.944 3.012 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.930 2.442 -2.438 1.00 0.00 H new ATOM 472 N ARG A 67 13.625 -0.153 -3.052 1.00 0.00 N ATOM 473 CA ARG A 67 13.685 -1.518 -3.640 1.00 0.00 C ATOM 474 C ARG A 67 12.335 -1.838 -4.283 1.00 0.00 C ATOM 475 O ARG A 67 12.012 -2.981 -4.537 1.00 0.00 O ATOM 476 CB ARG A 67 13.979 -2.536 -2.533 1.00 0.00 C ATOM 477 CG ARG A 67 15.470 -2.878 -2.531 1.00 0.00 C ATOM 478 CD ARG A 67 15.647 -4.396 -2.464 1.00 0.00 C ATOM 479 NE ARG A 67 16.507 -4.744 -1.299 1.00 0.00 N ATOM 480 CZ ARG A 67 17.763 -4.391 -1.287 1.00 0.00 C ATOM 481 NH1 ARG A 67 18.570 -4.824 -2.217 1.00 0.00 N ATOM 482 NH2 ARG A 67 18.211 -3.604 -0.348 1.00 0.00 N ATOM 0 H ARG A 67 13.160 -0.094 -2.146 1.00 0.00 H new ATOM 0 HA ARG A 67 14.473 -1.566 -4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.688 -2.129 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.389 -3.439 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.945 -2.486 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.961 -2.406 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.676 -4.882 -2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.100 -4.761 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 67 16.114 -5.258 -0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.219 -5.438 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.552 -4.549 -2.209 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.579 -3.264 0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.193 -3.328 -0.339 1.00 0.00 H new ATOM 483 N PHE A 68 11.550 -0.829 -4.552 1.00 0.00 N ATOM 484 CA PHE A 68 10.216 -1.051 -5.181 1.00 0.00 C ATOM 485 C PHE A 68 10.107 -0.111 -6.377 1.00 0.00 C ATOM 486 O PHE A 68 10.847 0.844 -6.478 1.00 0.00 O ATOM 487 CB PHE A 68 9.119 -0.713 -4.164 1.00 0.00 C ATOM 488 CG PHE A 68 8.459 -1.969 -3.627 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.042 -3.231 -3.810 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.248 -1.860 -2.937 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.411 -4.371 -3.302 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.620 -2.998 -2.430 1.00 0.00 C ATOM 493 CZ PHE A 68 7.200 -4.253 -2.611 1.00 0.00 C ATOM 0 H PHE A 68 11.778 0.147 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 68 10.103 -2.088 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.548 -0.144 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.368 -0.077 -4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.977 -3.323 -4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.796 -0.889 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.859 -5.344 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.685 -2.907 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.715 -5.134 -2.218 1.00 0.00 H new ATOM 494 N THR A 69 9.220 -0.357 -7.300 1.00 0.00 N ATOM 495 CA THR A 69 9.144 0.568 -8.465 1.00 0.00 C ATOM 496 C THR A 69 7.692 0.823 -8.878 1.00 0.00 C ATOM 497 O THR A 69 6.950 -0.089 -9.183 1.00 0.00 O ATOM 498 CB THR A 69 9.894 -0.050 -9.640 1.00 0.00 C ATOM 499 OG1 THR A 69 10.059 0.922 -10.662 1.00 0.00 O ATOM 500 CG2 THR A 69 9.091 -1.228 -10.177 1.00 0.00 C ATOM 0 H THR A 69 8.561 -1.136 -7.302 1.00 0.00 H new ATOM 0 HA THR A 69 9.593 1.519 -8.179 1.00 0.00 H new ATOM 0 HB THR A 69 10.875 -0.394 -9.312 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.543 0.525 -11.416 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.620 -1.676 -11.018 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.965 -1.971 -9.390 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.112 -0.881 -10.508 1.00 0.00 H new ATOM 501 N ILE A 70 7.301 2.069 -8.928 1.00 0.00 N ATOM 502 CA ILE A 70 5.918 2.406 -9.363 1.00 0.00 C ATOM 503 C ILE A 70 5.893 2.410 -10.889 1.00 0.00 C ATOM 504 O ILE A 70 6.017 3.442 -11.518 1.00 0.00 O ATOM 505 CB ILE A 70 5.539 3.787 -8.844 1.00 0.00 C ATOM 506 CG1 ILE A 70 4.156 4.170 -9.378 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.571 4.790 -9.334 1.00 0.00 C ATOM 508 CD1 ILE A 70 3.071 3.500 -8.532 1.00 0.00 C ATOM 0 H ILE A 70 7.884 2.870 -8.685 1.00 0.00 H new ATOM 0 HA ILE A 70 5.209 1.677 -8.971 1.00 0.00 H new ATOM 0 HB ILE A 70 5.513 3.783 -7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.033 5.253 -9.353 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.060 3.863 -10.419 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.313 5.785 -8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.556 4.511 -8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.585 4.795 -10.424 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.089 3.775 -8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.189 2.417 -8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.162 3.829 -7.497 1.00 0.00 H new ATOM 509 N SER A 71 5.742 1.263 -11.496 1.00 0.00 N ATOM 510 CA SER A 71 5.720 1.224 -12.984 1.00 0.00 C ATOM 511 C SER A 71 4.393 1.793 -13.450 1.00 0.00 C ATOM 512 O SER A 71 3.405 1.706 -12.752 1.00 0.00 O ATOM 513 CB SER A 71 5.855 -0.219 -13.466 1.00 0.00 C ATOM 514 OG SER A 71 7.111 -0.383 -14.108 1.00 0.00 O ATOM 0 H SER A 71 5.634 0.362 -11.031 1.00 0.00 H new ATOM 0 HA SER A 71 6.548 1.807 -13.388 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.772 -0.905 -12.623 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.047 -0.461 -14.156 1.00 0.00 H new ATOM 0 HG SER A 71 7.195 -1.304 -14.431 1.00 0.00 H new ATOM 515 N ARG A 72 4.328 2.382 -14.607 1.00 0.00 N ATOM 516 CA ARG A 72 3.015 2.925 -15.017 1.00 0.00 C ATOM 517 C ARG A 72 2.732 2.709 -16.499 1.00 0.00 C ATOM 518 O ARG A 72 3.578 2.297 -17.269 1.00 0.00 O ATOM 519 CB ARG A 72 2.915 4.416 -14.699 1.00 0.00 C ATOM 520 CG ARG A 72 3.415 4.693 -13.282 1.00 0.00 C ATOM 521 CD ARG A 72 2.472 5.691 -12.613 1.00 0.00 C ATOM 522 NE ARG A 72 2.322 6.886 -13.491 1.00 0.00 N ATOM 523 CZ ARG A 72 3.378 7.450 -14.011 1.00 0.00 C ATOM 524 NH1 ARG A 72 4.538 7.334 -13.421 1.00 0.00 N ATOM 525 NH2 ARG A 72 3.279 8.130 -15.122 1.00 0.00 N ATOM 0 H ARG A 72 5.098 2.507 -15.264 1.00 0.00 H new ATOM 0 HA ARG A 72 2.267 2.376 -14.445 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.503 4.988 -15.417 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.881 4.747 -14.798 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.454 3.767 -12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.429 5.093 -13.311 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.500 5.230 -12.437 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.866 5.986 -11.640 1.00 0.00 H new ATOM 0 HE ARG A 72 1.394 7.263 -13.685 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.618 6.803 -12.554 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.363 7.775 -13.827 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.375 8.221 -15.585 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.106 8.570 -15.526 1.00 0.00 H new ATOM 526 N ASP A 73 1.520 2.998 -16.886 1.00 0.00 N ATOM 527 CA ASP A 73 1.100 2.842 -18.301 1.00 0.00 C ATOM 528 C ASP A 73 0.229 4.056 -18.670 1.00 0.00 C ATOM 529 O ASP A 73 -0.984 3.975 -18.765 1.00 0.00 O ATOM 530 CB ASP A 73 0.309 1.537 -18.439 1.00 0.00 C ATOM 531 CG ASP A 73 0.775 0.770 -19.679 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.915 0.959 -20.073 1.00 0.00 O ATOM 533 OD2 ASP A 73 -0.011 0.005 -20.210 1.00 0.00 O ATOM 0 H ASP A 73 0.789 3.343 -16.264 1.00 0.00 H new ATOM 0 HA ASP A 73 1.959 2.797 -18.971 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.446 0.923 -17.549 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.756 1.754 -18.515 1.00 0.00 H new ATOM 534 N ASN A 74 0.867 5.187 -18.837 1.00 0.00 N ATOM 535 CA ASN A 74 0.167 6.464 -19.166 1.00 0.00 C ATOM 536 C ASN A 74 -0.931 6.279 -20.231 1.00 0.00 C ATOM 537 O ASN A 74 -2.107 6.357 -19.941 1.00 0.00 O ATOM 538 CB ASN A 74 1.204 7.446 -19.705 1.00 0.00 C ATOM 539 CG ASN A 74 0.676 8.874 -19.578 1.00 0.00 C ATOM 540 OD1 ASN A 74 0.552 9.579 -20.559 1.00 0.00 O ATOM 541 ND2 ASN A 74 0.356 9.334 -18.399 1.00 0.00 N ATOM 0 H ASN A 74 1.880 5.279 -18.756 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.313 6.830 -18.258 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.138 7.343 -19.153 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.424 7.221 -20.749 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.002 10.286 -18.302 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.460 8.742 -17.575 1.00 0.00 H new ATOM 542 N SER A 75 -0.557 6.080 -21.470 1.00 0.00 N ATOM 543 CA SER A 75 -1.580 5.946 -22.554 1.00 0.00 C ATOM 544 C SER A 75 -2.185 4.541 -22.578 1.00 0.00 C ATOM 545 O SER A 75 -2.505 4.016 -23.626 1.00 0.00 O ATOM 546 CB SER A 75 -0.916 6.228 -23.901 1.00 0.00 C ATOM 547 OG SER A 75 -1.786 7.024 -24.695 1.00 0.00 O ATOM 0 H SER A 75 0.412 6.004 -21.779 1.00 0.00 H new ATOM 0 HA SER A 75 -2.381 6.660 -22.362 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.032 6.744 -23.751 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.692 5.292 -24.413 1.00 0.00 H new ATOM 0 HG SER A 75 -1.363 7.208 -25.560 1.00 0.00 H new ATOM 548 N LYS A 76 -2.350 3.924 -21.445 1.00 0.00 N ATOM 549 CA LYS A 76 -2.938 2.562 -21.427 1.00 0.00 C ATOM 550 C LYS A 76 -4.051 2.499 -20.379 1.00 0.00 C ATOM 551 O LYS A 76 -4.720 1.494 -20.230 1.00 0.00 O ATOM 552 CB LYS A 76 -1.847 1.556 -21.088 1.00 0.00 C ATOM 553 CG LYS A 76 -0.706 1.684 -22.105 1.00 0.00 C ATOM 554 CD LYS A 76 0.262 2.798 -21.680 1.00 0.00 C ATOM 555 CE LYS A 76 1.643 2.525 -22.275 1.00 0.00 C ATOM 556 NZ LYS A 76 1.616 2.818 -23.736 1.00 0.00 N ATOM 0 H LYS A 76 -2.103 4.304 -20.531 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.359 2.326 -22.404 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.473 1.734 -20.080 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.252 0.544 -21.104 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.171 0.738 -22.183 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.112 1.903 -23.093 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.108 3.765 -22.020 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.325 2.845 -20.593 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.393 3.144 -21.782 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.926 1.486 -22.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.554 2.633 -24.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.911 2.210 -24.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.364 3.816 -23.885 1.00 0.00 H new ATOM 557 N ASN A 77 -4.265 3.570 -19.662 1.00 0.00 N ATOM 558 CA ASN A 77 -5.332 3.585 -18.648 1.00 0.00 C ATOM 559 C ASN A 77 -4.889 2.844 -17.391 1.00 0.00 C ATOM 560 O ASN A 77 -5.706 2.319 -16.676 1.00 0.00 O ATOM 561 CB ASN A 77 -6.592 2.930 -19.216 1.00 0.00 C ATOM 562 CG ASN A 77 -6.741 3.305 -20.691 1.00 0.00 C ATOM 563 OD1 ASN A 77 -7.118 2.485 -21.505 1.00 0.00 O ATOM 564 ND2 ASN A 77 -6.460 4.520 -21.073 1.00 0.00 N ATOM 0 H ASN A 77 -3.735 4.438 -19.744 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.547 4.620 -18.384 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.531 1.847 -19.109 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.468 3.257 -18.656 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.557 4.781 -22.054 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.144 5.209 -20.391 1.00 0.00 H new ATOM 565 N THR A 78 -3.620 2.806 -17.077 1.00 0.00 N ATOM 566 CA THR A 78 -3.240 2.113 -15.814 1.00 0.00 C ATOM 567 C THR A 78 -1.735 2.142 -15.594 1.00 0.00 C ATOM 568 O THR A 78 -0.971 2.437 -16.482 1.00 0.00 O ATOM 569 CB THR A 78 -3.717 0.673 -15.893 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.109 -0.089 -14.859 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.342 0.091 -17.255 1.00 0.00 C ATOM 0 H THR A 78 -2.856 3.209 -17.619 1.00 0.00 H new ATOM 0 HA THR A 78 -3.707 2.628 -14.975 1.00 0.00 H new ATOM 0 HB THR A 78 -4.800 0.639 -15.770 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.419 -1.017 -14.911 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.683 -0.943 -17.315 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.816 0.676 -18.043 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.260 0.124 -17.379 1.00 0.00 H new ATOM 572 N LEU A 79 -1.316 1.826 -14.401 1.00 0.00 N ATOM 573 CA LEU A 79 0.138 1.810 -14.092 1.00 0.00 C ATOM 574 C LEU A 79 0.450 0.508 -13.343 1.00 0.00 C ATOM 575 O LEU A 79 -0.405 -0.052 -12.709 1.00 0.00 O ATOM 576 CB LEU A 79 0.501 3.027 -13.234 1.00 0.00 C ATOM 577 CG LEU A 79 -0.444 3.114 -12.049 1.00 0.00 C ATOM 578 CD1 LEU A 79 0.336 3.578 -10.818 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.567 4.106 -12.364 1.00 0.00 C ATOM 0 H LEU A 79 -1.925 1.576 -13.621 1.00 0.00 H new ATOM 0 HA LEU A 79 0.725 1.858 -15.009 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.531 2.945 -12.886 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.438 3.937 -13.830 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.881 2.135 -11.850 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.338 3.642 -9.963 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.131 2.864 -10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.771 4.558 -11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.246 4.169 -11.514 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.139 5.089 -12.561 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.116 3.767 -13.242 1.00 0.00 H new ATOM 580 N TYR A 80 1.642 -0.016 -13.443 1.00 0.00 N ATOM 581 CA TYR A 80 1.919 -1.320 -12.764 1.00 0.00 C ATOM 582 C TYR A 80 2.934 -1.174 -11.627 1.00 0.00 C ATOM 583 O TYR A 80 3.478 -0.118 -11.386 1.00 0.00 O ATOM 584 CB TYR A 80 2.460 -2.306 -13.801 1.00 0.00 C ATOM 585 CG TYR A 80 1.390 -2.602 -14.830 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.777 -1.558 -15.539 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.017 -3.927 -15.078 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.205 -1.843 -16.495 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.034 -4.211 -16.034 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.578 -3.169 -16.743 1.00 0.00 C ATOM 591 OH TYR A 80 -1.546 -3.450 -17.687 1.00 0.00 O ATOM 0 H TYR A 80 2.425 0.391 -13.955 1.00 0.00 H new ATOM 0 HA TYR A 80 0.988 -1.681 -12.328 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.341 -1.889 -14.288 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.773 -3.228 -13.312 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.063 -0.534 -15.347 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.487 -4.731 -14.532 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.675 -1.039 -17.042 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.253 -5.235 -16.225 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.684 -4.419 -17.735 1.00 0.00 H new ATOM 592 N LEU A 81 3.184 -2.246 -10.919 1.00 0.00 N ATOM 593 CA LEU A 81 4.158 -2.189 -9.791 1.00 0.00 C ATOM 594 C LEU A 81 5.093 -3.387 -9.836 1.00 0.00 C ATOM 595 O LEU A 81 4.660 -4.523 -9.872 1.00 0.00 O ATOM 596 CB LEU A 81 3.431 -2.285 -8.446 1.00 0.00 C ATOM 597 CG LEU A 81 2.851 -0.944 -8.028 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.644 -0.930 -6.504 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.798 0.194 -8.377 1.00 0.00 C ATOM 0 H LEU A 81 2.755 -3.158 -11.075 1.00 0.00 H new ATOM 0 HA LEU A 81 4.700 -1.249 -9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.631 -3.022 -8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.124 -2.637 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 81 1.907 -0.808 -8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.228 0.031 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.956 -1.727 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.601 -1.084 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.358 1.142 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.747 0.049 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.969 0.208 -9.453 1.00 0.00 H new ATOM 600 N GLN A 82 6.361 -3.145 -9.741 1.00 0.00 N ATOM 601 CA GLN A 82 7.317 -4.271 -9.673 1.00 0.00 C ATOM 602 C GLN A 82 7.772 -4.311 -8.216 1.00 0.00 C ATOM 603 O GLN A 82 8.632 -3.551 -7.799 1.00 0.00 O ATOM 604 CB GLN A 82 8.507 -4.043 -10.608 1.00 0.00 C ATOM 605 CG GLN A 82 8.057 -3.231 -11.826 1.00 0.00 C ATOM 606 CD GLN A 82 7.227 -4.121 -12.753 1.00 0.00 C ATOM 607 OE1 GLN A 82 7.456 -5.312 -12.836 1.00 0.00 O ATOM 608 NE2 GLN A 82 6.266 -3.591 -13.460 1.00 0.00 N ATOM 0 H GLN A 82 6.778 -2.215 -9.707 1.00 0.00 H new ATOM 0 HA GLN A 82 6.862 -5.210 -9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.301 -3.515 -10.080 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.919 -5.000 -10.929 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.468 -2.371 -11.506 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.925 -2.842 -12.358 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.073 -2.592 -13.391 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.708 -4.176 -14.082 1.00 0.00 H new ATOM 609 N MET A 83 7.148 -5.137 -7.418 1.00 0.00 N ATOM 610 CA MET A 83 7.498 -5.173 -5.969 1.00 0.00 C ATOM 611 C MET A 83 8.060 -6.542 -5.588 1.00 0.00 C ATOM 612 O MET A 83 7.376 -7.545 -5.629 1.00 0.00 O ATOM 613 CB MET A 83 6.242 -4.872 -5.129 1.00 0.00 C ATOM 614 CG MET A 83 4.973 -5.121 -5.955 1.00 0.00 C ATOM 615 SD MET A 83 3.563 -5.369 -4.848 1.00 0.00 S ATOM 616 CE MET A 83 2.404 -4.285 -5.717 1.00 0.00 C ATOM 0 H MET A 83 6.415 -5.785 -7.706 1.00 0.00 H new ATOM 0 HA MET A 83 8.259 -4.418 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.233 -5.501 -4.239 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.264 -3.837 -4.788 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.785 -4.274 -6.615 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.107 -5.996 -6.590 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.037 -3.521 -5.032 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.911 -3.808 -6.555 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.564 -4.873 -6.088 1.00 0.00 H new ATOM 617 N ASN A 84 9.309 -6.583 -5.203 1.00 0.00 N ATOM 618 CA ASN A 84 9.932 -7.875 -4.805 1.00 0.00 C ATOM 619 C ASN A 84 10.300 -7.813 -3.322 1.00 0.00 C ATOM 620 O ASN A 84 9.824 -6.969 -2.591 1.00 0.00 O ATOM 621 CB ASN A 84 11.196 -8.108 -5.635 1.00 0.00 C ATOM 622 CG ASN A 84 12.186 -6.968 -5.383 1.00 0.00 C ATOM 623 OD1 ASN A 84 11.994 -5.865 -5.855 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.245 -7.189 -4.653 1.00 0.00 N ATOM 0 H ASN A 84 9.925 -5.772 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 84 9.232 -8.692 -4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.649 -9.063 -5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.945 -8.159 -6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.911 -6.436 -4.479 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.407 -8.115 -4.256 1.00 0.00 H new ATOM 625 N SER A 85 11.138 -8.700 -2.866 1.00 0.00 N ATOM 626 CA SER A 85 11.524 -8.683 -1.428 1.00 0.00 C ATOM 627 C SER A 85 10.376 -9.237 -0.578 1.00 0.00 C ATOM 628 O SER A 85 10.489 -9.364 0.625 1.00 0.00 O ATOM 629 CB SER A 85 11.825 -7.246 -1.000 1.00 0.00 C ATOM 630 OG SER A 85 12.629 -7.262 0.172 1.00 0.00 O ATOM 0 H SER A 85 11.572 -9.435 -3.425 1.00 0.00 H new ATOM 0 HA SER A 85 12.410 -9.302 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.341 -6.717 -1.801 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.896 -6.709 -0.810 1.00 0.00 H new ATOM 0 HG SER A 85 12.282 -7.932 0.798 1.00 0.00 H new ATOM 631 N LEU A 86 9.272 -9.572 -1.191 1.00 0.00 N ATOM 632 CA LEU A 86 8.127 -10.121 -0.412 1.00 0.00 C ATOM 633 C LEU A 86 8.537 -11.466 0.190 1.00 0.00 C ATOM 634 O LEU A 86 9.696 -11.829 0.172 1.00 0.00 O ATOM 635 CB LEU A 86 6.929 -10.312 -1.344 1.00 0.00 C ATOM 636 CG LEU A 86 6.103 -9.026 -1.383 1.00 0.00 C ATOM 637 CD1 LEU A 86 5.394 -8.836 -0.043 1.00 0.00 C ATOM 638 CD2 LEU A 86 7.028 -7.834 -1.643 1.00 0.00 C ATOM 0 H LEU A 86 9.115 -9.489 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 86 7.853 -9.433 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.272 -10.567 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.313 -11.142 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 86 5.363 -9.093 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.805 -7.919 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.736 -9.685 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.134 -8.768 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.440 -6.917 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.768 -7.767 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.536 -7.969 -2.598 1.00 0.00 H new ATOM 639 N ARG A 87 7.609 -12.210 0.729 1.00 0.00 N ATOM 640 CA ARG A 87 7.982 -13.517 1.327 1.00 0.00 C ATOM 641 C ARG A 87 6.809 -14.490 1.253 1.00 0.00 C ATOM 642 O ARG A 87 5.669 -14.119 1.427 1.00 0.00 O ATOM 643 CB ARG A 87 8.372 -13.308 2.790 1.00 0.00 C ATOM 644 CG ARG A 87 9.816 -13.760 2.991 1.00 0.00 C ATOM 645 CD ARG A 87 10.447 -12.962 4.133 1.00 0.00 C ATOM 646 NE ARG A 87 11.931 -12.969 3.984 1.00 0.00 N ATOM 647 CZ ARG A 87 12.666 -12.190 4.729 1.00 0.00 C ATOM 648 NH1 ARG A 87 12.146 -11.615 5.779 1.00 0.00 N ATOM 649 NH2 ARG A 87 13.920 -11.987 4.428 1.00 0.00 N ATOM 0 H ARG A 87 6.619 -11.970 0.780 1.00 0.00 H new ATOM 0 HA ARG A 87 8.822 -13.934 0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.265 -12.258 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.706 -13.875 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.846 -14.826 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.385 -13.613 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.075 -11.938 4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.165 -13.395 5.093 1.00 0.00 H new ATOM 0 HE ARG A 87 12.372 -13.583 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.167 -11.775 6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.719 -11.006 6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.327 -12.438 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.492 -11.377 5.012 1.00 0.00 H new ATOM 650 N ALA A 88 7.094 -15.741 1.022 1.00 0.00 N ATOM 651 CA ALA A 88 6.015 -16.766 0.965 1.00 0.00 C ATOM 652 C ALA A 88 5.256 -16.750 2.290 1.00 0.00 C ATOM 653 O ALA A 88 4.167 -17.273 2.408 1.00 0.00 O ATOM 654 CB ALA A 88 6.648 -18.143 0.762 1.00 0.00 C ATOM 0 H ALA A 88 8.036 -16.100 0.869 1.00 0.00 H new ATOM 0 HA ALA A 88 5.333 -16.551 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.865 -18.900 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.212 -18.150 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.319 -18.361 1.593 1.00 0.00 H new ATOM 655 N GLU A 89 5.842 -16.158 3.291 1.00 0.00 N ATOM 656 CA GLU A 89 5.194 -16.103 4.623 1.00 0.00 C ATOM 657 C GLU A 89 4.579 -14.720 4.859 1.00 0.00 C ATOM 658 O GLU A 89 4.461 -14.276 5.984 1.00 0.00 O ATOM 659 CB GLU A 89 6.271 -16.360 5.672 1.00 0.00 C ATOM 660 CG GLU A 89 5.960 -17.651 6.428 1.00 0.00 C ATOM 661 CD GLU A 89 5.665 -18.771 5.428 1.00 0.00 C ATOM 662 OE1 GLU A 89 6.560 -19.113 4.672 1.00 0.00 O ATOM 663 OE2 GLU A 89 4.552 -19.268 5.436 1.00 0.00 O ATOM 0 H GLU A 89 6.754 -15.705 3.239 1.00 0.00 H new ATOM 0 HA GLU A 89 4.401 -16.848 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.247 -16.434 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.320 -15.523 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.804 -17.927 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.104 -17.502 7.086 1.00 0.00 H new ATOM 664 N ASP A 90 4.184 -14.030 3.820 1.00 0.00 N ATOM 665 CA ASP A 90 3.587 -12.679 4.025 1.00 0.00 C ATOM 666 C ASP A 90 2.749 -12.275 2.811 1.00 0.00 C ATOM 667 O ASP A 90 2.905 -11.192 2.282 1.00 0.00 O ATOM 668 CB ASP A 90 4.704 -11.651 4.220 1.00 0.00 C ATOM 669 CG ASP A 90 5.699 -12.158 5.265 1.00 0.00 C ATOM 670 OD1 ASP A 90 6.554 -12.950 4.904 1.00 0.00 O ATOM 671 OD2 ASP A 90 5.589 -11.746 6.408 1.00 0.00 O ATOM 0 H ASP A 90 4.248 -14.340 2.850 1.00 0.00 H new ATOM 0 HA ASP A 90 2.948 -12.712 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.216 -11.473 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.282 -10.698 4.539 1.00 0.00 H new ATOM 672 N THR A 91 1.848 -13.116 2.373 1.00 0.00 N ATOM 673 CA THR A 91 0.996 -12.742 1.206 1.00 0.00 C ATOM 674 C THR A 91 0.507 -11.308 1.426 1.00 0.00 C ATOM 675 O THR A 91 0.477 -10.834 2.545 1.00 0.00 O ATOM 676 CB THR A 91 -0.197 -13.698 1.128 1.00 0.00 C ATOM 677 OG1 THR A 91 0.265 -15.008 0.831 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.159 -13.235 0.035 1.00 0.00 C ATOM 0 H THR A 91 1.666 -14.038 2.769 1.00 0.00 H new ATOM 0 HA THR A 91 1.558 -12.808 0.274 1.00 0.00 H new ATOM 0 HB THR A 91 -0.718 -13.704 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.498 -15.621 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.007 -13.918 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.516 -12.231 0.266 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.642 -13.225 -0.924 1.00 0.00 H new ATOM 679 N ALA A 92 0.150 -10.587 0.396 1.00 0.00 N ATOM 680 CA ALA A 92 -0.289 -9.179 0.642 1.00 0.00 C ATOM 681 C ALA A 92 -1.519 -8.807 -0.194 1.00 0.00 C ATOM 682 O ALA A 92 -1.855 -9.451 -1.168 1.00 0.00 O ATOM 683 CB ALA A 92 0.858 -8.229 0.295 1.00 0.00 C ATOM 0 H ALA A 92 0.142 -10.897 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.560 -9.092 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.545 -7.200 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.722 -8.458 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.127 -8.351 -0.754 1.00 0.00 H new ATOM 684 N VAL A 93 -2.170 -7.739 0.190 1.00 0.00 N ATOM 685 CA VAL A 93 -3.366 -7.251 -0.550 1.00 0.00 C ATOM 686 C VAL A 93 -3.178 -5.744 -0.780 1.00 0.00 C ATOM 687 O VAL A 93 -2.734 -5.040 0.101 1.00 0.00 O ATOM 688 CB VAL A 93 -4.627 -7.511 0.278 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.862 -7.169 -0.555 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.681 -8.989 0.672 1.00 0.00 C ATOM 0 H VAL A 93 -1.916 -7.176 1.001 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.475 -7.769 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.606 -6.892 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.761 -7.354 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.827 -6.118 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.881 -7.791 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.578 -9.176 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.703 -9.605 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.800 -9.241 1.262 1.00 0.00 H new ATOM 691 N TYR A 94 -3.473 -5.235 -1.945 1.00 0.00 N ATOM 692 CA TYR A 94 -3.243 -3.772 -2.178 1.00 0.00 C ATOM 693 C TYR A 94 -4.532 -3.065 -2.631 1.00 0.00 C ATOM 694 O TYR A 94 -5.375 -3.639 -3.282 1.00 0.00 O ATOM 695 CB TYR A 94 -2.191 -3.610 -3.285 1.00 0.00 C ATOM 696 CG TYR A 94 -1.022 -4.529 -3.061 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.577 -4.810 -1.768 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.361 -5.071 -4.164 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.531 -5.635 -1.573 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.746 -5.904 -3.972 1.00 0.00 C ATOM 701 CZ TYR A 94 1.194 -6.186 -2.675 1.00 0.00 C ATOM 702 OH TYR A 94 2.290 -7.001 -2.483 1.00 0.00 O ATOM 0 H TYR A 94 -3.856 -5.754 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.909 -3.325 -1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.643 -3.821 -4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.845 -2.577 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.091 -4.388 -0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.703 -4.848 -5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.877 -5.848 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.255 -6.330 -4.824 1.00 0.00 H new ATOM 0 HH TYR A 94 2.997 -6.752 -3.114 1.00 0.00 H new ATOM 703 N TYR A 95 -4.670 -1.803 -2.315 1.00 0.00 N ATOM 704 CA TYR A 95 -5.874 -1.045 -2.754 1.00 0.00 C ATOM 705 C TYR A 95 -5.407 0.292 -3.312 1.00 0.00 C ATOM 706 O TYR A 95 -4.917 1.135 -2.589 1.00 0.00 O ATOM 707 CB TYR A 95 -6.794 -0.800 -1.570 1.00 0.00 C ATOM 708 CG TYR A 95 -7.488 -2.079 -1.207 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.748 -3.140 -0.686 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.870 -2.204 -1.391 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.389 -4.336 -0.345 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.513 -3.399 -1.051 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.773 -4.465 -0.527 1.00 0.00 C ATOM 714 OH TYR A 95 -9.408 -5.643 -0.192 1.00 0.00 O ATOM 0 H TYR A 95 -3.996 -1.265 -1.770 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.418 -1.611 -3.510 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.221 -0.430 -0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.527 -0.033 -1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.682 -3.039 -0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.439 -1.379 -1.795 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.818 -5.159 0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.579 -3.499 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.366 -5.563 -0.380 1.00 0.00 H new ATOM 715 N CYS A 96 -5.522 0.482 -4.593 1.00 0.00 N ATOM 716 CA CYS A 96 -5.044 1.753 -5.193 1.00 0.00 C ATOM 717 C CYS A 96 -5.569 2.956 -4.407 1.00 0.00 C ATOM 718 O CYS A 96 -6.278 2.811 -3.431 1.00 0.00 O ATOM 719 CB CYS A 96 -5.507 1.848 -6.646 1.00 0.00 C ATOM 720 SG CYS A 96 -4.706 0.573 -7.652 1.00 0.00 S ATOM 0 H CYS A 96 -5.925 -0.186 -5.249 1.00 0.00 H new ATOM 0 HA CYS A 96 -3.955 1.762 -5.156 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.590 1.733 -6.697 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.272 2.835 -7.045 1.00 0.00 H new ATOM 721 N ALA A 97 -5.223 4.154 -4.823 1.00 0.00 N ATOM 722 CA ALA A 97 -5.705 5.357 -4.079 1.00 0.00 C ATOM 723 C ALA A 97 -5.180 6.637 -4.735 1.00 0.00 C ATOM 724 O ALA A 97 -4.194 6.628 -5.426 1.00 0.00 O ATOM 725 CB ALA A 97 -5.184 5.289 -2.642 1.00 0.00 C ATOM 0 H ALA A 97 -4.636 4.346 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.795 5.372 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.529 6.162 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.557 4.384 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.094 5.272 -2.651 1.00 0.00 H new ATOM 726 N ARG A 98 -5.820 7.747 -4.511 1.00 0.00 N ATOM 727 CA ARG A 98 -5.302 9.020 -5.107 1.00 0.00 C ATOM 728 C ARG A 98 -4.411 9.709 -4.069 1.00 0.00 C ATOM 729 O ARG A 98 -4.103 9.145 -3.036 1.00 0.00 O ATOM 730 CB ARG A 98 -6.446 9.963 -5.484 1.00 0.00 C ATOM 731 CG ARG A 98 -6.170 10.565 -6.864 1.00 0.00 C ATOM 732 CD ARG A 98 -7.135 9.969 -7.883 1.00 0.00 C ATOM 733 NE ARG A 98 -7.558 11.017 -8.852 1.00 0.00 N ATOM 734 CZ ARG A 98 -6.748 11.386 -9.804 1.00 0.00 C ATOM 735 NH1 ARG A 98 -5.506 10.983 -9.793 1.00 0.00 N ATOM 736 NH2 ARG A 98 -7.183 12.151 -10.769 1.00 0.00 N ATOM 0 H ARG A 98 -6.668 7.835 -3.950 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.743 8.784 -6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.392 9.421 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.540 10.755 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.285 11.648 -6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.141 10.363 -7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.656 9.144 -8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.007 9.558 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.480 11.445 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.172 10.381 -9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.870 11.270 -10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.155 12.459 -10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.550 12.441 -11.515 1.00 0.00 H new ATOM 737 N LEU A 99 -3.992 10.921 -4.322 1.00 0.00 N ATOM 738 CA LEU A 99 -3.121 11.620 -3.328 1.00 0.00 C ATOM 739 C LEU A 99 -2.878 13.068 -3.758 1.00 0.00 C ATOM 740 O LEU A 99 -1.790 13.591 -3.608 1.00 0.00 O ATOM 741 CB LEU A 99 -1.777 10.899 -3.236 1.00 0.00 C ATOM 742 CG LEU A 99 -1.355 10.420 -4.627 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.553 11.541 -5.651 1.00 0.00 C ATOM 744 CD2 LEU A 99 0.121 10.022 -4.598 1.00 0.00 C ATOM 0 H LEU A 99 -4.211 11.453 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.620 11.612 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.021 11.569 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.854 10.051 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.967 9.563 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.250 11.190 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.604 11.830 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.946 12.402 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.425 9.680 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.724 10.883 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.267 9.219 -3.876 1.00 0.00 H new ATOM 745 N LYS A 100 -3.866 13.722 -4.294 1.00 0.00 N ATOM 746 CA LYS A 100 -3.659 15.130 -4.733 1.00 0.00 C ATOM 747 C LYS A 100 -4.413 16.085 -3.804 1.00 0.00 C ATOM 748 O LYS A 100 -3.828 16.961 -3.200 1.00 0.00 O ATOM 749 CB LYS A 100 -4.163 15.308 -6.172 1.00 0.00 C ATOM 750 CG LYS A 100 -5.229 14.253 -6.490 1.00 0.00 C ATOM 751 CD LYS A 100 -5.649 14.375 -7.957 1.00 0.00 C ATOM 752 CE LYS A 100 -6.485 15.642 -8.143 1.00 0.00 C ATOM 753 NZ LYS A 100 -5.662 16.687 -8.815 1.00 0.00 N ATOM 0 H LYS A 100 -4.802 13.348 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.594 15.358 -4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.580 16.307 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.331 15.218 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.837 13.255 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.094 14.388 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.768 14.411 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.225 13.499 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.370 15.422 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.834 16.005 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.979 17.629 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.662 16.558 -8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.770 16.604 -9.846 1.00 0.00 H new ATOM 754 N LYS A 101 -5.703 15.917 -3.683 1.00 0.00 N ATOM 755 CA LYS A 101 -6.507 16.814 -2.799 1.00 0.00 C ATOM 756 C LYS A 101 -7.958 16.757 -3.250 1.00 0.00 C ATOM 757 O LYS A 101 -8.745 15.982 -2.743 1.00 0.00 O ATOM 758 CB LYS A 101 -6.015 18.261 -2.906 1.00 0.00 C ATOM 759 CG LYS A 101 -5.424 18.694 -1.566 1.00 0.00 C ATOM 760 CD LYS A 101 -4.883 20.121 -1.679 1.00 0.00 C ATOM 761 CE LYS A 101 -3.506 20.200 -1.015 1.00 0.00 C ATOM 762 NZ LYS A 101 -2.526 19.403 -1.805 1.00 0.00 N ATOM 0 H LYS A 101 -6.239 15.193 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.404 16.483 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.264 18.345 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.840 18.918 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.186 18.644 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.624 18.014 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.810 20.412 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.569 20.820 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.180 21.238 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.560 19.821 0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.948 18.826 -1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.036 18.781 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.909 20.045 -2.342 1.00 0.00 H new ATOM 763 N TYR A 102 -8.318 17.549 -4.226 1.00 0.00 N ATOM 764 CA TYR A 102 -9.713 17.500 -4.726 1.00 0.00 C ATOM 765 C TYR A 102 -10.052 16.031 -4.946 1.00 0.00 C ATOM 766 O TYR A 102 -11.190 15.613 -4.876 1.00 0.00 O ATOM 767 CB TYR A 102 -9.811 18.263 -6.054 1.00 0.00 C ATOM 768 CG TYR A 102 -11.064 17.849 -6.796 1.00 0.00 C ATOM 769 CD1 TYR A 102 -11.103 16.627 -7.482 1.00 0.00 C ATOM 770 CD2 TYR A 102 -12.185 18.689 -6.799 1.00 0.00 C ATOM 771 CE1 TYR A 102 -12.262 16.247 -8.168 1.00 0.00 C ATOM 772 CE2 TYR A 102 -13.344 18.308 -7.486 1.00 0.00 C ATOM 773 CZ TYR A 102 -13.382 17.087 -8.170 1.00 0.00 C ATOM 774 OH TYR A 102 -14.526 16.711 -8.846 1.00 0.00 O ATOM 0 H TYR A 102 -7.708 18.221 -4.692 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.403 17.958 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.827 19.337 -5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.932 18.060 -6.666 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -10.239 15.979 -7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -12.155 19.631 -6.271 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.292 15.305 -8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.208 18.956 -7.488 1.00 0.00 H new ATOM 0 HH TYR A 102 -15.209 17.407 -8.746 1.00 0.00 H new ATOM 775 N ALA A 103 -9.042 15.247 -5.200 1.00 0.00 N ATOM 776 CA ALA A 103 -9.239 13.799 -5.413 1.00 0.00 C ATOM 777 C ALA A 103 -8.896 13.066 -4.115 1.00 0.00 C ATOM 778 O ALA A 103 -9.129 13.560 -3.030 1.00 0.00 O ATOM 779 CB ALA A 103 -8.299 13.346 -6.527 1.00 0.00 C ATOM 0 H ALA A 103 -8.074 15.561 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.270 13.582 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.429 12.278 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.529 13.893 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.267 13.544 -6.235 1.00 0.00 H new ATOM 780 N PHE A 104 -8.333 11.898 -4.218 1.00 0.00 N ATOM 781 CA PHE A 104 -7.960 11.135 -2.996 1.00 0.00 C ATOM 782 C PHE A 104 -9.216 10.686 -2.251 1.00 0.00 C ATOM 783 O PHE A 104 -9.951 11.501 -1.736 1.00 0.00 O ATOM 784 CB PHE A 104 -7.112 12.008 -2.074 1.00 0.00 C ATOM 785 CG PHE A 104 -6.183 11.129 -1.264 1.00 0.00 C ATOM 786 CD1 PHE A 104 -6.402 9.743 -1.194 1.00 0.00 C ATOM 787 CD2 PHE A 104 -5.097 11.697 -0.590 1.00 0.00 C ATOM 788 CE1 PHE A 104 -5.537 8.934 -0.454 1.00 0.00 C ATOM 789 CE2 PHE A 104 -4.232 10.884 0.151 1.00 0.00 C ATOM 790 CZ PHE A 104 -4.453 9.503 0.217 1.00 0.00 C ATOM 0 H PHE A 104 -8.113 11.435 -5.100 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.386 10.258 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.535 12.723 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.755 12.586 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.240 9.303 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.926 12.762 -0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.707 7.869 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.394 11.322 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.784 8.877 0.788 1.00 0.00 H new ATOM 791 N ASP A 105 -9.437 9.391 -2.197 1.00 0.00 N ATOM 792 CA ASP A 105 -10.629 8.799 -1.497 1.00 0.00 C ATOM 793 C ASP A 105 -11.210 7.702 -2.387 1.00 0.00 C ATOM 794 O ASP A 105 -11.953 6.850 -1.941 1.00 0.00 O ATOM 795 CB ASP A 105 -11.722 9.846 -1.242 1.00 0.00 C ATOM 796 CG ASP A 105 -12.135 10.494 -2.566 1.00 0.00 C ATOM 797 OD1 ASP A 105 -12.439 9.759 -3.492 1.00 0.00 O ATOM 798 OD2 ASP A 105 -12.139 11.712 -2.632 1.00 0.00 O ATOM 0 H ASP A 105 -8.821 8.698 -2.622 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.302 8.408 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.586 9.377 -0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.357 10.607 -0.552 1.00 0.00 H new ATOM 799 N TYR A 106 -10.876 7.723 -3.649 1.00 0.00 N ATOM 800 CA TYR A 106 -11.404 6.692 -4.585 1.00 0.00 C ATOM 801 C TYR A 106 -10.585 5.409 -4.450 1.00 0.00 C ATOM 802 O TYR A 106 -10.183 5.030 -3.368 1.00 0.00 O ATOM 803 CB TYR A 106 -11.312 7.209 -6.023 1.00 0.00 C ATOM 804 CG TYR A 106 -11.536 8.698 -6.044 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.836 9.210 -6.115 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.443 9.565 -5.990 1.00 0.00 C ATOM 807 CE1 TYR A 106 -13.041 10.594 -6.134 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.645 10.947 -6.010 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.946 11.464 -6.081 1.00 0.00 C ATOM 810 OH TYR A 106 -12.150 12.828 -6.101 1.00 0.00 O ATOM 0 H TYR A 106 -10.257 8.414 -4.073 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.446 6.483 -4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.334 6.973 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.055 6.711 -6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.680 8.538 -6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.441 9.167 -5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -14.044 10.991 -6.190 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.799 11.617 -5.971 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.014 13.036 -5.687 1.00 0.00 H new ATOM 811 N TRP A 107 -10.349 4.732 -5.541 1.00 0.00 N ATOM 812 CA TRP A 107 -9.573 3.464 -5.487 1.00 0.00 C ATOM 813 C TRP A 107 -10.042 2.637 -4.290 1.00 0.00 C ATOM 814 O TRP A 107 -9.566 2.806 -3.185 1.00 0.00 O ATOM 815 CB TRP A 107 -8.084 3.748 -5.345 1.00 0.00 C ATOM 816 CG TRP A 107 -7.686 4.886 -6.233 1.00 0.00 C ATOM 817 CD1 TRP A 107 -7.804 6.191 -5.913 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.114 4.849 -7.576 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.314 6.954 -6.944 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.890 6.177 -8.005 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.769 3.806 -8.452 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.343 6.457 -9.260 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.220 4.085 -9.713 1.00 0.00 C ATOM 824 CH2 TRP A 107 -6.008 5.408 -10.116 1.00 0.00 C ATOM 0 H TRP A 107 -10.663 5.006 -6.472 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.738 2.915 -6.414 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.850 3.988 -4.308 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.511 2.858 -5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.218 6.575 -4.992 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.268 7.973 -6.929 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -6.928 2.781 -8.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.181 7.480 -9.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.960 3.274 -10.376 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.586 5.617 -11.088 1.00 0.00 H new ATOM 825 N GLY A 108 -10.971 1.745 -4.492 1.00 0.00 N ATOM 826 CA GLY A 108 -11.459 0.925 -3.350 1.00 0.00 C ATOM 827 C GLY A 108 -11.951 -0.432 -3.855 1.00 0.00 C ATOM 828 O GLY A 108 -13.098 -0.792 -3.675 1.00 0.00 O ATOM 0 H GLY A 108 -11.410 1.549 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.658 0.784 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.267 1.446 -2.836 1.00 0.00 H new ATOM 829 N GLN A 109 -11.093 -1.190 -4.478 1.00 0.00 N ATOM 830 CA GLN A 109 -11.509 -2.527 -4.985 1.00 0.00 C ATOM 831 C GLN A 109 -10.750 -3.613 -4.221 1.00 0.00 C ATOM 832 O GLN A 109 -11.334 -4.427 -3.535 1.00 0.00 O ATOM 833 CB GLN A 109 -11.188 -2.631 -6.477 1.00 0.00 C ATOM 834 CG GLN A 109 -12.492 -2.614 -7.278 1.00 0.00 C ATOM 835 CD GLN A 109 -13.192 -3.966 -7.136 1.00 0.00 C ATOM 836 OE1 GLN A 109 -14.332 -4.033 -6.719 1.00 0.00 O ATOM 837 NE2 GLN A 109 -12.553 -5.054 -7.467 1.00 0.00 N ATOM 0 H GLN A 109 -10.120 -0.941 -4.658 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.581 -2.657 -4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.550 -1.802 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.636 -3.549 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -13.142 -1.816 -6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.284 -2.408 -8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.597 -4.997 -7.817 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -13.010 -5.961 -7.376 1.00 0.00 H new ATOM 838 N GLY A 110 -9.449 -3.625 -4.326 1.00 0.00 N ATOM 839 CA GLY A 110 -8.654 -4.651 -3.597 1.00 0.00 C ATOM 840 C GLY A 110 -7.908 -5.549 -4.588 1.00 0.00 C ATOM 841 O GLY A 110 -8.465 -6.017 -5.562 1.00 0.00 O ATOM 0 H GLY A 110 -8.904 -2.969 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.942 -4.163 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.312 -5.255 -2.973 1.00 0.00 H new ATOM 842 N THR A 111 -6.657 -5.814 -4.325 1.00 0.00 N ATOM 843 CA THR A 111 -5.863 -6.698 -5.210 1.00 0.00 C ATOM 844 C THR A 111 -4.922 -7.476 -4.301 1.00 0.00 C ATOM 845 O THR A 111 -5.202 -7.638 -3.133 1.00 0.00 O ATOM 846 CB THR A 111 -5.072 -5.868 -6.224 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.591 -6.716 -7.259 1.00 0.00 O ATOM 848 CG2 THR A 111 -3.893 -5.199 -5.531 1.00 0.00 C ATOM 0 H THR A 111 -6.148 -5.447 -3.521 1.00 0.00 H new ATOM 0 HA THR A 111 -6.505 -7.370 -5.780 1.00 0.00 H new ATOM 0 HB THR A 111 -5.723 -5.104 -6.650 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.086 -6.184 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.332 -4.609 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.259 -4.547 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.242 -5.961 -5.102 1.00 0.00 H new ATOM 849 N LEU A 112 -3.821 -7.963 -4.789 1.00 0.00 N ATOM 850 CA LEU A 112 -2.937 -8.729 -3.874 1.00 0.00 C ATOM 851 C LEU A 112 -1.751 -9.312 -4.622 1.00 0.00 C ATOM 852 O LEU A 112 -1.497 -9.011 -5.768 1.00 0.00 O ATOM 853 CB LEU A 112 -3.737 -9.908 -3.348 1.00 0.00 C ATOM 854 CG LEU A 112 -4.063 -10.779 -4.557 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.010 -11.883 -4.681 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.454 -11.394 -4.399 1.00 0.00 C ATOM 0 H LEU A 112 -3.500 -7.869 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.585 -8.063 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.164 -10.468 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.649 -9.570 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.054 -10.167 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.239 -12.509 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.025 -11.434 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.015 -12.494 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.678 -12.014 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.481 -12.007 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.196 -10.600 -4.319 1.00 0.00 H new ATOM 857 N VAL A 113 -1.072 -10.205 -3.962 1.00 0.00 N ATOM 858 CA VAL A 113 0.072 -10.907 -4.572 1.00 0.00 C ATOM 859 C VAL A 113 0.326 -12.177 -3.764 1.00 0.00 C ATOM 860 O VAL A 113 0.438 -12.140 -2.550 1.00 0.00 O ATOM 861 CB VAL A 113 1.305 -10.020 -4.547 1.00 0.00 C ATOM 862 CG1 VAL A 113 0.953 -8.635 -5.085 1.00 0.00 C ATOM 863 CG2 VAL A 113 1.825 -9.891 -3.119 1.00 0.00 C ATOM 0 H VAL A 113 -1.273 -10.480 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.147 -11.154 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 113 2.077 -10.469 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.840 -8.001 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.592 -8.724 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.175 -8.190 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.709 -9.254 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.053 -9.449 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.085 -10.878 -2.736 1.00 0.00 H new ATOM 864 N THR A 114 0.398 -13.301 -4.418 1.00 0.00 N ATOM 865 CA THR A 114 0.627 -14.572 -3.678 1.00 0.00 C ATOM 866 C THR A 114 2.121 -14.869 -3.629 1.00 0.00 C ATOM 867 O THR A 114 2.684 -15.415 -4.556 1.00 0.00 O ATOM 868 CB THR A 114 -0.094 -15.716 -4.391 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.280 -15.221 -4.998 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.450 -16.802 -3.377 1.00 0.00 C ATOM 0 H THR A 114 0.309 -13.395 -5.430 1.00 0.00 H new ATOM 0 HA THR A 114 0.241 -14.475 -2.663 1.00 0.00 H new ATOM 0 HB THR A 114 0.556 -16.137 -5.158 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.743 -15.953 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.964 -17.619 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.461 -17.179 -2.913 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.101 -16.384 -2.610 1.00 0.00 H new ATOM 871 N VAL A 115 2.773 -14.518 -2.555 1.00 0.00 N ATOM 872 CA VAL A 115 4.228 -14.795 -2.468 1.00 0.00 C ATOM 873 C VAL A 115 4.479 -16.244 -2.882 1.00 0.00 C ATOM 874 O VAL A 115 4.114 -17.170 -2.184 1.00 0.00 O ATOM 875 CB VAL A 115 4.715 -14.577 -1.043 1.00 0.00 C ATOM 876 CG1 VAL A 115 5.045 -13.098 -0.833 1.00 0.00 C ATOM 877 CG2 VAL A 115 3.619 -15.008 -0.065 1.00 0.00 C ATOM 0 H VAL A 115 2.363 -14.056 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 115 4.770 -14.120 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 115 5.613 -15.170 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.394 -12.944 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.825 -12.796 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.152 -12.498 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.963 -14.854 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.722 -14.414 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.391 -16.063 -0.216 1.00 0.00 H new