USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 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 25 GLN : amide:sc= -2.62! C(o=-2.7!,f=-5.2!) USER MOD Set 1.2: A 68 GLN :FLIP amide:sc= -0.0399 F(o=-3.5,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.7! USER MOD Single : A 7 SER OG : rot 180:sc= 0.144 USER MOD Single : A 9 HIS : no HE2:sc= -1.5! C(o=-1.5!,f=-8.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 95:sc= -1.68! USER MOD Single : A 19 GLN : amide:sc= -15.6! C(o=-16!,f=-19!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -60:sc= -0.517 USER MOD Single : A 35 SER OG : rot 180:sc= 0.568 USER MOD Single : A 36 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0235 (180deg=-0.154) USER MOD Single : A 47 THR OG1 : rot 150:sc= 0.275 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -150:sc=-0.00251 (180deg=-0.173) USER MOD Single : A 58 SER OG : rot 170:sc= -3.01! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.1) USER MOD Single : A 72 THR OG1 : rot 150:sc= -0.573 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.151 10.840 -20.978 1.00 0.00 N ATOM 2 CA GLY A 1 -13.775 9.669 -20.297 1.00 0.00 C ATOM 3 C GLY A 1 -12.777 8.512 -20.248 1.00 0.00 C ATOM 4 O GLY A 1 -12.500 7.877 -21.246 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.831 11.626 -21.010 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.304 11.137 -20.452 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.882 10.575 -21.947 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.079 9.943 -19.287 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.676 9.363 -20.830 1.00 0.00 H new ATOM 7 N ASP A 2 -12.234 8.232 -19.095 1.00 0.00 N ATOM 8 CA ASP A 2 -11.252 7.115 -18.981 1.00 0.00 C ATOM 9 C ASP A 2 -10.083 7.337 -19.944 1.00 0.00 C ATOM 10 O ASP A 2 -10.205 8.021 -20.939 1.00 0.00 O ATOM 11 CB ASP A 2 -12.034 5.858 -19.366 1.00 0.00 C ATOM 12 CG ASP A 2 -11.066 4.686 -19.535 1.00 0.00 C ATOM 13 OD1 ASP A 2 -10.450 4.600 -20.584 1.00 0.00 O ATOM 14 OD2 ASP A 2 -10.957 3.896 -18.612 1.00 0.00 O ATOM 0 H ASP A 2 -12.428 8.729 -18.225 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.828 7.040 -17.980 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.772 5.626 -18.598 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.582 6.027 -20.293 1.00 0.00 H new ATOM 19 N THR A 3 -8.947 6.761 -19.655 1.00 0.00 N ATOM 20 CA THR A 3 -7.770 6.938 -20.554 1.00 0.00 C ATOM 21 C THR A 3 -6.695 5.896 -20.231 1.00 0.00 C ATOM 22 O THR A 3 -6.002 5.415 -21.105 1.00 0.00 O ATOM 23 CB THR A 3 -7.258 8.350 -20.264 1.00 0.00 C ATOM 24 OG1 THR A 3 -7.660 8.739 -18.959 1.00 0.00 O ATOM 25 CG2 THR A 3 -7.837 9.324 -21.290 1.00 0.00 C ATOM 0 H THR A 3 -8.783 6.176 -18.836 1.00 0.00 H new ATOM 0 HA THR A 3 -8.029 6.808 -21.605 1.00 0.00 H new ATOM 0 HB THR A 3 -6.170 8.363 -20.328 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.331 9.643 -18.771 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.472 10.330 -21.083 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.527 9.024 -22.291 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.925 9.313 -21.228 1.00 0.00 H new ATOM 33 N LEU A 4 -6.553 5.538 -18.983 1.00 0.00 N ATOM 34 CA LEU A 4 -5.524 4.523 -18.612 1.00 0.00 C ATOM 35 C LEU A 4 -6.031 3.644 -17.465 1.00 0.00 C ATOM 36 O LEU A 4 -7.187 3.696 -17.095 1.00 0.00 O ATOM 37 CB LEU A 4 -4.287 5.323 -18.180 1.00 0.00 C ATOM 38 CG LEU A 4 -4.678 6.459 -17.223 1.00 0.00 C ATOM 39 CD1 LEU A 4 -5.366 7.580 -18.003 1.00 0.00 C ATOM 40 CD2 LEU A 4 -5.624 5.932 -16.143 1.00 0.00 C ATOM 0 H LEU A 4 -7.103 5.903 -18.206 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.296 3.856 -19.443 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.572 4.660 -17.692 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.791 5.736 -19.058 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.776 6.848 -16.750 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.641 8.383 -17.319 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.685 7.966 -18.761 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.263 7.191 -18.485 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.896 6.745 -15.469 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.524 5.532 -16.611 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.128 5.143 -15.578 1.00 0.00 H new ATOM 52 N GLY A 5 -5.175 2.837 -16.900 1.00 0.00 N ATOM 53 CA GLY A 5 -5.610 1.958 -15.778 1.00 0.00 C ATOM 54 C GLY A 5 -5.393 0.493 -16.161 1.00 0.00 C ATOM 55 O GLY A 5 -6.160 -0.375 -15.796 1.00 0.00 O ATOM 0 H GLY A 5 -4.194 2.748 -17.167 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.046 2.196 -14.876 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.662 2.133 -15.552 1.00 0.00 H new ATOM 59 N ALA A 6 -4.352 0.210 -16.896 1.00 0.00 N ATOM 60 CA ALA A 6 -4.086 -1.201 -17.301 1.00 0.00 C ATOM 61 C ALA A 6 -5.334 -1.809 -17.944 1.00 0.00 C ATOM 62 O ALA A 6 -6.357 -1.165 -18.070 1.00 0.00 O ATOM 63 CB ALA A 6 -3.744 -1.928 -16.000 1.00 0.00 C ATOM 0 H ALA A 6 -3.675 0.894 -17.234 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.282 -1.277 -18.033 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.535 -2.976 -16.213 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.867 -1.468 -15.546 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.587 -1.859 -15.312 1.00 0.00 H new ATOM 69 N SER A 7 -5.259 -3.047 -18.354 1.00 0.00 N ATOM 70 CA SER A 7 -6.443 -3.695 -18.988 1.00 0.00 C ATOM 71 C SER A 7 -7.589 -3.810 -17.980 1.00 0.00 C ATOM 72 O SER A 7 -7.834 -4.860 -17.421 1.00 0.00 O ATOM 73 CB SER A 7 -5.957 -5.081 -19.407 1.00 0.00 C ATOM 74 OG SER A 7 -4.560 -5.030 -19.668 1.00 0.00 O ATOM 0 H SER A 7 -4.430 -3.637 -18.277 1.00 0.00 H new ATOM 0 HA SER A 7 -6.823 -3.122 -19.834 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.165 -5.805 -18.620 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.493 -5.414 -20.296 1.00 0.00 H new ATOM 0 HG SER A 7 -4.245 -5.918 -19.936 1.00 0.00 H new ATOM 80 N TRP A 8 -8.294 -2.737 -17.744 1.00 0.00 N ATOM 81 CA TRP A 8 -9.425 -2.788 -16.772 1.00 0.00 C ATOM 82 C TRP A 8 -10.289 -4.024 -17.032 1.00 0.00 C ATOM 83 O TRP A 8 -10.580 -4.364 -18.161 1.00 0.00 O ATOM 84 CB TRP A 8 -10.223 -1.509 -17.028 1.00 0.00 C ATOM 85 CG TRP A 8 -10.405 -0.768 -15.743 1.00 0.00 C ATOM 86 CD1 TRP A 8 -9.515 -0.748 -14.725 1.00 0.00 C ATOM 87 CD2 TRP A 8 -11.528 0.059 -15.320 1.00 0.00 C ATOM 88 NE1 TRP A 8 -10.019 0.038 -13.704 1.00 0.00 N ATOM 89 CE2 TRP A 8 -11.257 0.558 -14.024 1.00 0.00 C ATOM 90 CE3 TRP A 8 -12.743 0.423 -15.930 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -12.160 1.387 -13.356 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -13.653 1.257 -15.261 1.00 0.00 C ATOM 93 CH2 TRP A 8 -13.362 1.737 -13.976 1.00 0.00 C ATOM 0 H TRP A 8 -8.137 -1.829 -18.181 1.00 0.00 H new ATOM 0 HA TRP A 8 -9.082 -2.854 -15.739 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -9.702 -0.881 -17.751 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.194 -1.754 -17.459 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -8.565 -1.262 -14.711 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -9.535 0.212 -12.823 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -12.977 0.058 -16.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -11.931 1.755 -12.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -14.582 1.530 -15.739 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -14.067 2.377 -13.466 1.00 0.00 H new ATOM 104 N HIS A 9 -10.703 -4.699 -15.994 1.00 0.00 N ATOM 105 CA HIS A 9 -11.548 -5.913 -16.184 1.00 0.00 C ATOM 106 C HIS A 9 -12.102 -6.388 -14.837 1.00 0.00 C ATOM 107 O HIS A 9 -11.852 -5.793 -13.807 1.00 0.00 O ATOM 108 CB HIS A 9 -10.605 -6.962 -16.775 1.00 0.00 C ATOM 109 CG HIS A 9 -9.477 -7.221 -15.815 1.00 0.00 C ATOM 110 ND1 HIS A 9 -8.502 -6.273 -15.548 1.00 0.00 N ATOM 111 CD2 HIS A 9 -9.157 -8.314 -15.049 1.00 0.00 C ATOM 112 CE1 HIS A 9 -7.650 -6.808 -14.656 1.00 0.00 C ATOM 113 NE2 HIS A 9 -8.002 -8.051 -14.318 1.00 0.00 N ATOM 0 H HIS A 9 -10.493 -4.463 -15.024 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.405 -5.723 -16.831 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.149 -7.886 -16.971 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -10.211 -6.615 -17.730 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -8.442 -5.339 -15.954 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.716 -9.237 -15.018 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.786 -6.295 -14.261 1.00 0.00 H new ATOM 121 N ARG A 10 -12.851 -7.456 -14.838 1.00 0.00 N ATOM 122 CA ARG A 10 -13.420 -7.968 -13.557 1.00 0.00 C ATOM 123 C ARG A 10 -12.302 -8.515 -12.665 1.00 0.00 C ATOM 124 O ARG A 10 -11.365 -9.123 -13.144 1.00 0.00 O ATOM 125 CB ARG A 10 -14.374 -9.090 -13.968 1.00 0.00 C ATOM 126 CG ARG A 10 -15.596 -8.490 -14.669 1.00 0.00 C ATOM 127 CD ARG A 10 -16.814 -8.593 -13.748 1.00 0.00 C ATOM 128 NE ARG A 10 -17.896 -9.149 -14.606 1.00 0.00 N ATOM 129 CZ ARG A 10 -18.889 -8.389 -14.978 1.00 0.00 C ATOM 130 NH1 ARG A 10 -19.533 -7.677 -14.094 1.00 0.00 N ATOM 131 NH2 ARG A 10 -19.238 -8.339 -16.235 1.00 0.00 N ATOM 0 H ARG A 10 -13.094 -7.996 -15.668 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.928 -7.188 -12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.866 -9.788 -14.633 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.686 -9.656 -13.090 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.407 -7.447 -14.924 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.788 -9.017 -15.604 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.612 -9.243 -12.896 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.090 -7.618 -13.347 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.861 -10.124 -14.903 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.260 -7.715 -13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -20.309 -7.083 -14.385 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.734 -8.894 -16.927 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.014 -7.745 -16.525 1.00 0.00 H new ATOM 145 N PRO A 11 -12.441 -8.274 -11.389 1.00 0.00 N ATOM 146 CA PRO A 11 -11.431 -8.744 -10.410 1.00 0.00 C ATOM 147 C PRO A 11 -11.536 -10.259 -10.218 1.00 0.00 C ATOM 148 O PRO A 11 -12.505 -10.762 -9.685 1.00 0.00 O ATOM 149 CB PRO A 11 -11.807 -8.007 -9.128 1.00 0.00 C ATOM 150 CG PRO A 11 -13.262 -7.694 -9.272 1.00 0.00 C ATOM 151 CD PRO A 11 -13.542 -7.549 -10.747 1.00 0.00 C ATOM 0 HA PRO A 11 -10.406 -8.549 -10.724 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.622 -8.625 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.218 -7.098 -9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.871 -8.488 -8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.513 -6.776 -8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.509 -7.975 -11.014 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.560 -6.502 -11.049 1.00 0.00 H new ATOM 159 N ASP A 12 -10.544 -10.991 -10.647 1.00 0.00 N ATOM 160 CA ASP A 12 -10.588 -12.473 -10.488 1.00 0.00 C ATOM 161 C ASP A 12 -10.010 -12.875 -9.128 1.00 0.00 C ATOM 162 O ASP A 12 -10.243 -13.964 -8.641 1.00 0.00 O ATOM 163 CB ASP A 12 -9.721 -13.019 -11.622 1.00 0.00 C ATOM 164 CG ASP A 12 -9.445 -14.505 -11.384 1.00 0.00 C ATOM 165 OD1 ASP A 12 -10.295 -15.159 -10.802 1.00 0.00 O ATOM 166 OD2 ASP A 12 -8.390 -14.964 -11.789 1.00 0.00 O ATOM 0 H ASP A 12 -9.706 -10.628 -11.100 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.605 -12.863 -10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.225 -12.881 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.782 -12.468 -11.674 1.00 0.00 H new ATOM 171 N LYS A 13 -9.258 -12.004 -8.512 1.00 0.00 N ATOM 172 CA LYS A 13 -8.665 -12.337 -7.185 1.00 0.00 C ATOM 173 C LYS A 13 -8.820 -11.154 -6.224 1.00 0.00 C ATOM 174 O LYS A 13 -9.521 -10.201 -6.506 1.00 0.00 O ATOM 175 CB LYS A 13 -7.187 -12.608 -7.467 1.00 0.00 C ATOM 176 CG LYS A 13 -6.751 -13.877 -6.732 1.00 0.00 C ATOM 177 CD LYS A 13 -7.624 -15.052 -7.178 1.00 0.00 C ATOM 178 CE LYS A 13 -6.780 -16.034 -7.993 1.00 0.00 C ATOM 179 NZ LYS A 13 -6.393 -17.100 -7.027 1.00 0.00 N ATOM 0 H LYS A 13 -9.029 -11.077 -8.870 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.154 -13.192 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.025 -12.722 -8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.583 -11.761 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.703 -14.089 -6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.838 -13.734 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.048 -15.555 -6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.460 -14.691 -7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.348 -16.445 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.902 -15.545 -8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.811 -17.813 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.848 -16.680 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.249 -17.552 -6.647 1.00 0.00 H new ATOM 193 N CYS A 14 -8.172 -11.207 -5.093 1.00 0.00 N ATOM 194 CA CYS A 14 -8.282 -10.084 -4.118 1.00 0.00 C ATOM 195 C CYS A 14 -7.056 -9.172 -4.220 1.00 0.00 C ATOM 196 O CYS A 14 -7.002 -8.282 -5.046 1.00 0.00 O ATOM 197 CB CYS A 14 -8.342 -10.757 -2.746 1.00 0.00 C ATOM 198 SG CYS A 14 -9.905 -11.656 -2.587 1.00 0.00 S ATOM 0 H CYS A 14 -7.572 -11.978 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.156 -9.459 -4.303 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.502 -11.441 -2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.258 -10.009 -1.958 1.00 0.00 H new ATOM 203 N CYS A 15 -6.069 -9.385 -3.393 1.00 0.00 N ATOM 204 CA CYS A 15 -4.851 -8.528 -3.453 1.00 0.00 C ATOM 205 C CYS A 15 -3.595 -9.370 -3.193 1.00 0.00 C ATOM 206 O CYS A 15 -3.631 -10.582 -3.235 1.00 0.00 O ATOM 207 CB CYS A 15 -5.050 -7.473 -2.357 1.00 0.00 C ATOM 208 SG CYS A 15 -4.695 -8.180 -0.732 1.00 0.00 S ATOM 0 H CYS A 15 -6.053 -10.114 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.715 -8.066 -4.431 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.396 -6.620 -2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.074 -7.101 -2.383 1.00 0.00 H new ATOM 213 N LEU A 16 -2.487 -8.733 -2.924 1.00 0.00 N ATOM 214 CA LEU A 16 -1.227 -9.493 -2.659 1.00 0.00 C ATOM 215 C LEU A 16 -1.250 -10.078 -1.248 1.00 0.00 C ATOM 216 O LEU A 16 -0.221 -10.351 -0.661 1.00 0.00 O ATOM 217 CB LEU A 16 -0.116 -8.451 -2.770 1.00 0.00 C ATOM 218 CG LEU A 16 0.893 -8.887 -3.833 1.00 0.00 C ATOM 219 CD1 LEU A 16 1.901 -7.761 -4.071 1.00 0.00 C ATOM 220 CD2 LEU A 16 1.632 -10.137 -3.350 1.00 0.00 C ATOM 0 H LEU A 16 -2.398 -7.718 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.093 -10.324 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.539 -7.481 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.383 -8.333 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 16 0.369 -9.109 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.621 -8.071 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.376 -6.869 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.425 -7.540 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.352 -10.449 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.156 -9.913 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.915 -10.940 -3.178 1.00 0.00 H new ATOM 232 N GLY A 17 -2.411 -10.249 -0.691 1.00 0.00 N ATOM 233 CA GLY A 17 -2.500 -10.790 0.691 1.00 0.00 C ATOM 234 C GLY A 17 -2.081 -9.684 1.653 1.00 0.00 C ATOM 235 O GLY A 17 -2.887 -9.150 2.375 1.00 0.00 O ATOM 0 H GLY A 17 -3.306 -10.037 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.516 -11.120 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.852 -11.659 0.803 1.00 0.00 H new ATOM 239 N TYR A 18 -0.818 -9.340 1.632 1.00 0.00 N ATOM 240 CA TYR A 18 -0.272 -8.253 2.499 1.00 0.00 C ATOM 241 C TYR A 18 1.231 -8.126 2.253 1.00 0.00 C ATOM 242 O TYR A 18 1.972 -9.085 2.344 1.00 0.00 O ATOM 243 CB TYR A 18 -0.569 -8.658 3.938 1.00 0.00 C ATOM 244 CG TYR A 18 -1.902 -8.077 4.379 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.719 -7.384 3.467 1.00 0.00 C ATOM 246 CD2 TYR A 18 -2.319 -8.227 5.707 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.942 -6.851 3.883 1.00 0.00 C ATOM 248 CE2 TYR A 18 -3.545 -7.691 6.122 1.00 0.00 C ATOM 249 CZ TYR A 18 -4.356 -7.004 5.212 1.00 0.00 C ATOM 250 OH TYR A 18 -5.563 -6.478 5.624 1.00 0.00 O ATOM 0 H TYR A 18 -0.123 -9.782 1.031 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.722 -7.284 2.283 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.592 -9.745 4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.226 -8.305 4.595 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.400 -7.264 2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.695 -8.756 6.412 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.568 -6.321 3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.865 -7.808 7.147 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.257 -7.168 5.569 1.00 0.00 H new ATOM 260 N GLN A 19 1.680 -6.950 1.922 1.00 0.00 N ATOM 261 CA GLN A 19 3.128 -6.748 1.641 1.00 0.00 C ATOM 262 C GLN A 19 3.983 -7.255 2.804 1.00 0.00 C ATOM 263 O GLN A 19 3.783 -6.890 3.946 1.00 0.00 O ATOM 264 CB GLN A 19 3.285 -5.234 1.454 1.00 0.00 C ATOM 265 CG GLN A 19 4.677 -4.782 1.892 1.00 0.00 C ATOM 266 CD GLN A 19 5.662 -4.996 0.744 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.397 -4.099 0.385 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.712 -6.156 0.154 1.00 0.00 N ATOM 0 H GLN A 19 1.103 -6.114 1.833 1.00 0.00 H new ATOM 0 HA GLN A 19 3.459 -7.301 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.124 -4.972 0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.526 -4.709 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.657 -3.730 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.995 -5.345 2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.094 -6.909 0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.369 -6.311 -0.610 1.00 0.00 H new ATOM 277 N LYS A 20 4.948 -8.081 2.512 1.00 0.00 N ATOM 278 CA LYS A 20 5.840 -8.605 3.584 1.00 0.00 C ATOM 279 C LYS A 20 7.087 -7.724 3.671 1.00 0.00 C ATOM 280 O LYS A 20 7.553 -7.385 4.741 1.00 0.00 O ATOM 281 CB LYS A 20 6.208 -10.021 3.141 1.00 0.00 C ATOM 282 CG LYS A 20 5.313 -11.032 3.859 1.00 0.00 C ATOM 283 CD LYS A 20 4.649 -11.950 2.830 1.00 0.00 C ATOM 284 CE LYS A 20 5.511 -13.198 2.629 1.00 0.00 C ATOM 285 NZ LYS A 20 5.242 -13.629 1.229 1.00 0.00 N ATOM 0 H LYS A 20 5.159 -8.418 1.572 1.00 0.00 H new ATOM 0 HA LYS A 20 5.368 -8.607 4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.090 -10.118 2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.255 -10.223 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.903 -11.622 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.553 -10.511 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.653 -12.234 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.526 -11.424 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.568 -12.976 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.246 -13.980 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.798 -14.481 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.230 -13.840 1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.510 -12.867 0.574 1.00 0.00 H new ATOM 299 N ARG A 21 7.617 -7.338 2.543 1.00 0.00 N ATOM 300 CA ARG A 21 8.822 -6.462 2.535 1.00 0.00 C ATOM 301 C ARG A 21 8.406 -5.012 2.752 1.00 0.00 C ATOM 302 O ARG A 21 7.256 -4.660 2.589 1.00 0.00 O ATOM 303 CB ARG A 21 9.434 -6.642 1.145 1.00 0.00 C ATOM 304 CG ARG A 21 9.600 -8.135 0.848 1.00 0.00 C ATOM 305 CD ARG A 21 11.062 -8.537 1.051 1.00 0.00 C ATOM 306 NE ARG A 21 11.169 -8.880 2.496 1.00 0.00 N ATOM 307 CZ ARG A 21 11.088 -10.124 2.879 1.00 0.00 C ATOM 308 NH1 ARG A 21 11.802 -11.038 2.282 1.00 0.00 N ATOM 309 NH2 ARG A 21 10.293 -10.454 3.861 1.00 0.00 N ATOM 0 H ARG A 21 7.264 -7.594 1.621 1.00 0.00 H new ATOM 0 HA ARG A 21 9.529 -6.717 3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.795 -6.180 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.401 -6.141 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.956 -8.721 1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.292 -8.349 -0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.329 -9.387 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.736 -7.722 0.788 1.00 0.00 H new ATOM 0 HE ARG A 21 11.306 -8.142 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.424 -10.780 1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.739 -12.011 2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.736 -9.739 4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.229 -11.427 4.161 1.00 0.00 H new ATOM 323 N PRO A 22 9.363 -4.222 3.114 1.00 0.00 N ATOM 324 CA PRO A 22 9.111 -2.786 3.359 1.00 0.00 C ATOM 325 C PRO A 22 8.848 -2.049 2.050 1.00 0.00 C ATOM 326 O PRO A 22 9.504 -2.265 1.051 1.00 0.00 O ATOM 327 CB PRO A 22 10.393 -2.303 4.017 1.00 0.00 C ATOM 328 CG PRO A 22 11.446 -3.273 3.579 1.00 0.00 C ATOM 329 CD PRO A 22 10.762 -4.588 3.330 1.00 0.00 C ATOM 0 HA PRO A 22 8.231 -2.608 3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.638 -1.288 3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.298 -2.288 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.942 -2.920 2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.215 -3.378 4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.180 -5.098 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.872 -5.262 4.179 1.00 0.00 H new ATOM 337 N LEU A 23 7.878 -1.186 2.059 1.00 0.00 N ATOM 338 CA LEU A 23 7.535 -0.424 0.830 1.00 0.00 C ATOM 339 C LEU A 23 7.482 1.077 1.116 1.00 0.00 C ATOM 340 O LEU A 23 6.845 1.512 2.054 1.00 0.00 O ATOM 341 CB LEU A 23 6.163 -0.944 0.428 1.00 0.00 C ATOM 342 CG LEU A 23 6.309 -1.780 -0.832 1.00 0.00 C ATOM 343 CD1 LEU A 23 5.011 -2.547 -1.095 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.610 -0.855 -2.014 1.00 0.00 C ATOM 0 H LEU A 23 7.301 -0.973 2.873 1.00 0.00 H new ATOM 0 HA LEU A 23 8.276 -0.558 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.736 -1.543 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.480 -0.113 0.253 1.00 0.00 H new ATOM 0 HG LEU A 23 7.124 -2.493 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.119 -3.146 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.798 -3.202 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.191 -1.841 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.716 -1.448 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.792 -0.145 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.536 -0.312 -1.825 1.00 0.00 H new ATOM 356 N PRO A 24 8.159 1.820 0.284 1.00 0.00 N ATOM 357 CA PRO A 24 8.199 3.292 0.434 1.00 0.00 C ATOM 358 C PRO A 24 6.884 3.913 -0.045 1.00 0.00 C ATOM 359 O PRO A 24 5.975 3.225 -0.466 1.00 0.00 O ATOM 360 CB PRO A 24 9.355 3.712 -0.469 1.00 0.00 C ATOM 361 CG PRO A 24 9.471 2.624 -1.490 1.00 0.00 C ATOM 362 CD PRO A 24 8.947 1.358 -0.861 1.00 0.00 C ATOM 0 HA PRO A 24 8.331 3.614 1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.157 4.675 -0.940 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.279 3.819 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.899 2.874 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.508 2.498 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.335 0.790 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.760 0.704 -0.546 1.00 0.00 H new ATOM 370 N GLN A 25 6.781 5.210 0.020 1.00 0.00 N ATOM 371 CA GLN A 25 5.535 5.891 -0.423 1.00 0.00 C ATOM 372 C GLN A 25 5.831 6.855 -1.572 1.00 0.00 C ATOM 373 O GLN A 25 5.027 7.037 -2.466 1.00 0.00 O ATOM 374 CB GLN A 25 5.057 6.660 0.808 1.00 0.00 C ATOM 375 CG GLN A 25 3.776 7.423 0.470 1.00 0.00 C ATOM 376 CD GLN A 25 4.135 8.779 -0.142 1.00 0.00 C ATOM 377 OE1 GLN A 25 3.615 9.150 -1.175 1.00 0.00 O ATOM 378 NE2 GLN A 25 5.011 9.539 0.457 1.00 0.00 N ATOM 0 H GLN A 25 7.513 5.832 0.364 1.00 0.00 H new ATOM 0 HA GLN A 25 4.787 5.187 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.875 5.970 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.830 7.354 1.138 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.170 6.846 -0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.177 7.565 1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.448 9.228 1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.259 10.444 0.058 1.00 0.00 H new ATOM 387 N VAL A 26 6.975 7.479 -1.554 1.00 0.00 N ATOM 388 CA VAL A 26 7.322 8.433 -2.637 1.00 0.00 C ATOM 389 C VAL A 26 7.378 7.715 -3.988 1.00 0.00 C ATOM 390 O VAL A 26 7.465 8.337 -5.028 1.00 0.00 O ATOM 391 CB VAL A 26 8.698 8.975 -2.262 1.00 0.00 C ATOM 392 CG1 VAL A 26 8.886 10.333 -2.916 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.808 9.135 -0.742 1.00 0.00 C ATOM 0 H VAL A 26 7.686 7.367 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 26 6.582 9.227 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 26 9.463 8.278 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.867 10.730 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.814 10.229 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.113 11.016 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.794 9.522 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.044 9.830 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.664 8.167 -0.263 1.00 0.00 H new ATOM 403 N LEU A 27 7.332 6.411 -3.984 1.00 0.00 N ATOM 404 CA LEU A 27 7.387 5.661 -5.270 1.00 0.00 C ATOM 405 C LEU A 27 5.976 5.288 -5.733 1.00 0.00 C ATOM 406 O LEU A 27 5.715 5.150 -6.911 1.00 0.00 O ATOM 407 CB LEU A 27 8.201 4.405 -4.964 1.00 0.00 C ATOM 408 CG LEU A 27 9.017 4.011 -6.196 1.00 0.00 C ATOM 409 CD1 LEU A 27 10.422 4.607 -6.092 1.00 0.00 C ATOM 410 CD2 LEU A 27 9.115 2.486 -6.275 1.00 0.00 C ATOM 0 H LEU A 27 7.259 5.833 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 27 7.834 6.252 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.864 4.586 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.537 3.589 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 27 8.527 4.392 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.003 4.326 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.353 5.693 -6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.913 4.227 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.696 2.204 -7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.604 2.106 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.114 2.061 -6.350 1.00 0.00 H new ATOM 422 N LEU A 28 5.063 5.120 -4.815 1.00 0.00 N ATOM 423 CA LEU A 28 3.676 4.751 -5.206 1.00 0.00 C ATOM 424 C LEU A 28 2.821 6.007 -5.390 1.00 0.00 C ATOM 425 O LEU A 28 3.193 7.088 -4.977 1.00 0.00 O ATOM 426 CB LEU A 28 3.150 3.913 -4.042 1.00 0.00 C ATOM 427 CG LEU A 28 4.198 2.873 -3.639 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.883 2.348 -2.238 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.170 1.711 -4.634 1.00 0.00 C ATOM 0 H LEU A 28 5.219 5.223 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 28 3.645 4.208 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.918 4.557 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.223 3.417 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 28 5.186 3.333 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.629 1.607 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.900 3.174 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.895 1.888 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.916 0.969 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.181 1.252 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.393 2.083 -5.634 1.00 0.00 H new ATOM 441 N SER A 29 1.677 5.878 -6.012 1.00 0.00 N ATOM 442 CA SER A 29 0.810 7.072 -6.221 1.00 0.00 C ATOM 443 C SER A 29 -0.243 7.186 -5.115 1.00 0.00 C ATOM 444 O SER A 29 -0.214 8.093 -4.307 1.00 0.00 O ATOM 445 CB SER A 29 0.134 6.841 -7.571 1.00 0.00 C ATOM 446 OG SER A 29 -0.569 8.017 -7.950 1.00 0.00 O ATOM 0 H SER A 29 1.309 5.002 -6.382 1.00 0.00 H new ATOM 0 HA SER A 29 1.387 7.996 -6.198 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.879 6.589 -8.326 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.553 5.997 -7.507 1.00 0.00 H new ATOM 0 HG SER A 29 -1.003 7.874 -8.817 1.00 0.00 H new ATOM 452 N SER A 30 -1.179 6.282 -5.085 1.00 0.00 N ATOM 453 CA SER A 30 -2.247 6.343 -4.043 1.00 0.00 C ATOM 454 C SER A 30 -2.581 4.940 -3.533 1.00 0.00 C ATOM 455 O SER A 30 -1.805 4.016 -3.664 1.00 0.00 O ATOM 456 CB SER A 30 -3.455 6.948 -4.757 1.00 0.00 C ATOM 457 OG SER A 30 -3.787 6.143 -5.880 1.00 0.00 O ATOM 0 H SER A 30 -1.254 5.501 -5.737 1.00 0.00 H new ATOM 0 HA SER A 30 -1.941 6.929 -3.176 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.303 7.008 -4.075 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.231 7.965 -5.078 1.00 0.00 H new ATOM 0 HG SER A 30 -4.563 6.527 -6.340 1.00 0.00 H new ATOM 463 N TRP A 31 -3.735 4.782 -2.947 1.00 0.00 N ATOM 464 CA TRP A 31 -4.142 3.449 -2.418 1.00 0.00 C ATOM 465 C TRP A 31 -5.655 3.412 -2.240 1.00 0.00 C ATOM 466 O TRP A 31 -6.348 4.361 -2.538 1.00 0.00 O ATOM 467 CB TRP A 31 -3.476 3.342 -1.050 1.00 0.00 C ATOM 468 CG TRP A 31 -4.052 4.386 -0.156 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.764 5.700 -0.233 1.00 0.00 C ATOM 470 CD2 TRP A 31 -5.015 4.238 0.928 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.472 6.374 0.744 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.263 5.515 1.485 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.687 3.132 1.481 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -6.147 5.690 2.550 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.579 3.305 2.553 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.808 4.581 3.085 1.00 0.00 C ATOM 0 H TRP A 31 -4.420 5.525 -2.811 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.855 2.637 -3.087 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.638 2.351 -0.627 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.398 3.476 -1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.089 6.153 -0.944 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.418 7.381 0.899 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.516 2.144 1.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.319 6.675 2.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.091 2.450 2.969 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.495 4.707 3.908 1.00 0.00 H new ATOM 487 N TYR A 32 -6.172 2.338 -1.726 1.00 0.00 N ATOM 488 CA TYR A 32 -7.642 2.266 -1.497 1.00 0.00 C ATOM 489 C TYR A 32 -7.989 1.027 -0.670 1.00 0.00 C ATOM 490 O TYR A 32 -7.478 -0.049 -0.905 1.00 0.00 O ATOM 491 CB TYR A 32 -8.281 2.244 -2.888 1.00 0.00 C ATOM 492 CG TYR A 32 -8.178 0.874 -3.505 1.00 0.00 C ATOM 493 CD1 TYR A 32 -8.896 -0.194 -2.963 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.375 0.681 -4.631 1.00 0.00 C ATOM 495 CE1 TYR A 32 -8.810 -1.462 -3.546 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.288 -0.586 -5.219 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.006 -1.659 -4.675 1.00 0.00 C ATOM 498 OH TYR A 32 -7.922 -2.909 -5.253 1.00 0.00 O ATOM 0 H TYR A 32 -5.646 1.508 -1.454 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.017 3.115 -0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.328 2.537 -2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.789 2.974 -3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.518 -0.041 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.821 1.509 -5.048 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.363 -2.289 -3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.668 -0.736 -6.091 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.323 -2.872 -6.028 1.00 0.00 H new ATOM 508 N PRO A 33 -8.837 1.244 0.297 1.00 0.00 N ATOM 509 CA PRO A 33 -9.261 0.156 1.214 1.00 0.00 C ATOM 510 C PRO A 33 -10.120 -0.875 0.478 1.00 0.00 C ATOM 511 O PRO A 33 -10.748 -0.578 -0.519 1.00 0.00 O ATOM 512 CB PRO A 33 -10.066 0.888 2.283 1.00 0.00 C ATOM 513 CG PRO A 33 -10.547 2.125 1.610 1.00 0.00 C ATOM 514 CD PRO A 33 -9.483 2.517 0.626 1.00 0.00 C ATOM 0 HA PRO A 33 -8.424 -0.406 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.899 0.280 2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.450 1.123 3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.496 1.947 1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.716 2.921 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.909 2.991 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.777 3.225 1.059 1.00 0.00 H new ATOM 522 N THR A 34 -10.148 -2.087 0.962 1.00 0.00 N ATOM 523 CA THR A 34 -10.960 -3.142 0.289 1.00 0.00 C ATOM 524 C THR A 34 -12.172 -3.511 1.151 1.00 0.00 C ATOM 525 O THR A 34 -12.580 -2.764 2.018 1.00 0.00 O ATOM 526 CB THR A 34 -10.024 -4.346 0.148 1.00 0.00 C ATOM 527 OG1 THR A 34 -10.194 -5.208 1.266 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.568 -3.874 0.085 1.00 0.00 C ATOM 0 H THR A 34 -9.644 -2.393 1.794 1.00 0.00 H new ATOM 0 HA THR A 34 -11.342 -2.807 -0.676 1.00 0.00 H new ATOM 0 HB THR A 34 -10.265 -4.881 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.979 -4.722 2.089 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.910 -4.737 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.436 -3.215 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.321 -3.333 0.999 1.00 0.00 H new ATOM 536 N SER A 35 -12.748 -4.658 0.916 1.00 0.00 N ATOM 537 CA SER A 35 -13.932 -5.078 1.719 1.00 0.00 C ATOM 538 C SER A 35 -13.482 -5.859 2.956 1.00 0.00 C ATOM 539 O SER A 35 -12.451 -5.582 3.536 1.00 0.00 O ATOM 540 CB SER A 35 -14.745 -5.974 0.785 1.00 0.00 C ATOM 541 OG SER A 35 -15.970 -6.320 1.419 1.00 0.00 O ATOM 0 H SER A 35 -12.450 -5.323 0.202 1.00 0.00 H new ATOM 0 HA SER A 35 -14.513 -4.227 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.941 -5.457 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.180 -6.874 0.542 1.00 0.00 H new ATOM 0 HG SER A 35 -16.496 -6.893 0.823 1.00 0.00 H new ATOM 547 N GLN A 36 -14.248 -6.834 3.364 1.00 0.00 N ATOM 548 CA GLN A 36 -13.864 -7.632 4.563 1.00 0.00 C ATOM 549 C GLN A 36 -14.265 -9.097 4.374 1.00 0.00 C ATOM 550 O GLN A 36 -14.791 -9.727 5.270 1.00 0.00 O ATOM 551 CB GLN A 36 -14.643 -7.007 5.721 1.00 0.00 C ATOM 552 CG GLN A 36 -13.876 -7.224 7.027 1.00 0.00 C ATOM 553 CD GLN A 36 -14.236 -6.118 8.020 1.00 0.00 C ATOM 554 OE1 GLN A 36 -14.710 -5.068 7.633 1.00 0.00 O ATOM 555 NE2 GLN A 36 -14.028 -6.309 9.294 1.00 0.00 N ATOM 0 H GLN A 36 -15.123 -7.112 2.919 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.789 -7.618 4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.786 -5.941 5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.634 -7.455 5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.122 -8.199 7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.803 -7.221 6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.630 -7.190 9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.263 -5.577 9.964 1.00 0.00 H new ATOM 564 N LEU A 37 -14.022 -9.644 3.214 1.00 0.00 N ATOM 565 CA LEU A 37 -14.392 -11.069 2.971 1.00 0.00 C ATOM 566 C LEU A 37 -13.220 -11.824 2.339 1.00 0.00 C ATOM 567 O LEU A 37 -13.011 -12.992 2.596 1.00 0.00 O ATOM 568 CB LEU A 37 -15.577 -11.011 2.006 1.00 0.00 C ATOM 569 CG LEU A 37 -16.739 -11.826 2.576 1.00 0.00 C ATOM 570 CD1 LEU A 37 -18.050 -11.069 2.361 1.00 0.00 C ATOM 571 CD2 LEU A 37 -16.811 -13.179 1.862 1.00 0.00 C ATOM 0 H LEU A 37 -13.584 -9.168 2.425 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.642 -11.592 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.885 -9.977 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.286 -11.404 1.032 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.581 -11.983 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.877 -11.651 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.001 -10.105 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.208 -10.911 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.639 -13.761 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.968 -13.020 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.878 -13.721 2.015 1.00 0.00 H new ATOM 583 N CYS A 38 -12.457 -11.165 1.514 1.00 0.00 N ATOM 584 CA CYS A 38 -11.298 -11.844 0.864 1.00 0.00 C ATOM 585 C CYS A 38 -10.461 -12.583 1.913 1.00 0.00 C ATOM 586 O CYS A 38 -10.619 -12.383 3.101 1.00 0.00 O ATOM 587 CB CYS A 38 -10.485 -10.718 0.227 1.00 0.00 C ATOM 588 SG CYS A 38 -11.063 -10.440 -1.465 1.00 0.00 S ATOM 0 H CYS A 38 -12.584 -10.185 1.260 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.613 -12.585 0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.588 -9.804 0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.426 -10.977 0.223 1.00 0.00 H new ATOM 593 N SER A 39 -9.570 -13.435 1.483 1.00 0.00 N ATOM 594 CA SER A 39 -8.724 -14.181 2.458 1.00 0.00 C ATOM 595 C SER A 39 -8.164 -13.219 3.506 1.00 0.00 C ATOM 596 O SER A 39 -8.028 -13.555 4.666 1.00 0.00 O ATOM 597 CB SER A 39 -7.593 -14.783 1.624 1.00 0.00 C ATOM 598 OG SER A 39 -7.897 -16.141 1.333 1.00 0.00 O ATOM 0 H SER A 39 -9.392 -13.646 0.501 1.00 0.00 H new ATOM 0 HA SER A 39 -9.285 -14.947 2.993 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.468 -14.220 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.650 -14.717 2.167 1.00 0.00 H new ATOM 0 HG SER A 39 -7.175 -16.530 0.797 1.00 0.00 H new ATOM 604 N LYS A 40 -7.843 -12.022 3.105 1.00 0.00 N ATOM 605 CA LYS A 40 -7.295 -11.028 4.073 1.00 0.00 C ATOM 606 C LYS A 40 -7.367 -9.623 3.476 1.00 0.00 C ATOM 607 O LYS A 40 -6.398 -9.117 2.946 1.00 0.00 O ATOM 608 CB LYS A 40 -5.843 -11.448 4.301 1.00 0.00 C ATOM 609 CG LYS A 40 -5.564 -11.524 5.803 1.00 0.00 C ATOM 610 CD LYS A 40 -5.493 -12.991 6.235 1.00 0.00 C ATOM 611 CE LYS A 40 -4.040 -13.467 6.190 1.00 0.00 C ATOM 612 NZ LYS A 40 -3.963 -14.355 4.995 1.00 0.00 N ATOM 0 H LYS A 40 -7.936 -11.686 2.146 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.857 -11.005 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.656 -12.416 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.168 -10.733 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.626 -11.019 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.349 -11.008 6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.893 -13.104 7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.108 -13.605 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.352 -12.626 6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.772 -14.005 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.057 -14.866 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.746 -15.039 5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.032 -13.781 4.131 1.00 0.00 H new ATOM 626 N PRO A 41 -8.528 -9.046 3.589 1.00 0.00 N ATOM 627 CA PRO A 41 -8.766 -7.682 3.061 1.00 0.00 C ATOM 628 C PRO A 41 -8.055 -6.638 3.925 1.00 0.00 C ATOM 629 O PRO A 41 -7.791 -6.859 5.090 1.00 0.00 O ATOM 630 CB PRO A 41 -10.277 -7.523 3.153 1.00 0.00 C ATOM 631 CG PRO A 41 -10.693 -8.466 4.231 1.00 0.00 C ATOM 632 CD PRO A 41 -9.720 -9.612 4.217 1.00 0.00 C ATOM 0 HA PRO A 41 -8.387 -7.544 2.048 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.553 -6.497 3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.759 -7.767 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.688 -7.968 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.709 -8.822 4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.510 -9.971 5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.107 -10.459 3.651 1.00 0.00 H new ATOM 640 N GLY A 42 -7.745 -5.502 3.363 1.00 0.00 N ATOM 641 CA GLY A 42 -7.053 -4.445 4.153 1.00 0.00 C ATOM 642 C GLY A 42 -6.852 -3.208 3.279 1.00 0.00 C ATOM 643 O GLY A 42 -7.796 -2.631 2.776 1.00 0.00 O ATOM 0 H GLY A 42 -7.941 -5.260 2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.642 -4.190 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.091 -4.813 4.509 1.00 0.00 H new ATOM 647 N VAL A 43 -5.628 -2.796 3.088 1.00 0.00 N ATOM 648 CA VAL A 43 -5.374 -1.598 2.242 1.00 0.00 C ATOM 649 C VAL A 43 -4.447 -1.955 1.082 1.00 0.00 C ATOM 650 O VAL A 43 -3.424 -2.585 1.260 1.00 0.00 O ATOM 651 CB VAL A 43 -4.708 -0.581 3.174 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.741 0.299 2.376 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.780 0.310 3.796 1.00 0.00 C ATOM 0 H VAL A 43 -4.796 -3.237 3.480 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.290 -1.204 1.803 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.162 -1.114 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.270 1.020 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.974 -0.326 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.290 0.829 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.310 1.035 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.319 0.836 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.478 -0.304 4.365 1.00 0.00 H new ATOM 663 N ILE A 44 -4.790 -1.542 -0.103 1.00 0.00 N ATOM 664 CA ILE A 44 -3.920 -1.841 -1.272 1.00 0.00 C ATOM 665 C ILE A 44 -3.352 -0.533 -1.821 1.00 0.00 C ATOM 666 O ILE A 44 -4.036 0.469 -1.886 1.00 0.00 O ATOM 667 CB ILE A 44 -4.821 -2.543 -2.302 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.312 -2.263 -3.725 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.264 -2.051 -2.169 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.714 -0.852 -4.168 1.00 0.00 C ATOM 0 H ILE A 44 -5.635 -1.010 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.073 -2.477 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.792 -3.616 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.227 -2.366 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.723 -2.999 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.890 -2.557 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.632 -2.270 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.299 -0.975 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.346 -0.669 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.800 -0.762 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.282 -0.120 -3.486 1.00 0.00 H new ATOM 682 N PHE A 45 -2.107 -0.526 -2.201 1.00 0.00 N ATOM 683 CA PHE A 45 -1.504 0.724 -2.724 1.00 0.00 C ATOM 684 C PHE A 45 -1.257 0.611 -4.229 1.00 0.00 C ATOM 685 O PHE A 45 -0.825 -0.411 -4.723 1.00 0.00 O ATOM 686 CB PHE A 45 -0.170 0.844 -1.990 1.00 0.00 C ATOM 687 CG PHE A 45 -0.404 1.083 -0.519 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.672 2.375 -0.058 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.346 0.014 0.384 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.883 2.600 1.307 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.558 0.239 1.747 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.826 1.530 2.209 1.00 0.00 C ATOM 0 H PHE A 45 -1.483 -1.332 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.151 1.587 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.413 -0.066 -2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.412 1.664 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.716 3.199 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.138 -0.984 0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.090 3.598 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.515 -0.585 2.443 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.989 1.703 3.262 1.00 0.00 H new ATOM 702 N LEU A 46 -1.510 1.661 -4.959 1.00 0.00 N ATOM 703 CA LEU A 46 -1.272 1.623 -6.426 1.00 0.00 C ATOM 704 C LEU A 46 -0.076 2.514 -6.769 1.00 0.00 C ATOM 705 O LEU A 46 -0.003 3.657 -6.357 1.00 0.00 O ATOM 706 CB LEU A 46 -2.550 2.174 -7.057 1.00 0.00 C ATOM 707 CG LEU A 46 -3.127 1.144 -8.029 1.00 0.00 C ATOM 708 CD1 LEU A 46 -1.999 0.572 -8.890 1.00 0.00 C ATOM 709 CD2 LEU A 46 -3.789 0.012 -7.241 1.00 0.00 C ATOM 0 H LEU A 46 -1.872 2.545 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.049 0.619 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.280 2.406 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.336 3.105 -7.582 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.869 1.623 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.408 -0.163 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.526 1.377 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.259 0.093 -8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.200 -0.722 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.048 -0.468 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.591 0.418 -6.625 1.00 0.00 H new ATOM 721 N THR A 47 0.862 2.002 -7.512 1.00 0.00 N ATOM 722 CA THR A 47 2.056 2.818 -7.872 1.00 0.00 C ATOM 723 C THR A 47 1.636 4.045 -8.677 1.00 0.00 C ATOM 724 O THR A 47 0.538 4.544 -8.541 1.00 0.00 O ATOM 725 CB THR A 47 2.924 1.896 -8.730 1.00 0.00 C ATOM 726 OG1 THR A 47 2.254 1.620 -9.956 1.00 0.00 O ATOM 727 CG2 THR A 47 3.178 0.587 -7.979 1.00 0.00 C ATOM 0 H THR A 47 0.855 1.053 -7.887 1.00 0.00 H new ATOM 0 HA THR A 47 2.586 3.179 -6.990 1.00 0.00 H new ATOM 0 HB THR A 47 3.876 2.384 -8.938 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.915 1.470 -10.664 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.797 -0.069 -8.591 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.692 0.799 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.227 0.098 -7.769 1.00 0.00 H new ATOM 735 N LYS A 48 2.504 4.519 -9.522 1.00 0.00 N ATOM 736 CA LYS A 48 2.171 5.699 -10.366 1.00 0.00 C ATOM 737 C LYS A 48 1.985 5.228 -11.807 1.00 0.00 C ATOM 738 O LYS A 48 1.948 6.011 -12.736 1.00 0.00 O ATOM 739 CB LYS A 48 3.378 6.631 -10.249 1.00 0.00 C ATOM 740 CG LYS A 48 3.224 7.518 -9.012 1.00 0.00 C ATOM 741 CD LYS A 48 4.607 7.887 -8.472 1.00 0.00 C ATOM 742 CE LYS A 48 4.607 9.349 -8.021 1.00 0.00 C ATOM 743 NZ LYS A 48 5.885 9.910 -8.540 1.00 0.00 N ATOM 0 H LYS A 48 3.439 4.137 -9.666 1.00 0.00 H new ATOM 0 HA LYS A 48 1.256 6.204 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.296 6.047 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.461 7.248 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.668 8.421 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.651 6.996 -8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.867 7.238 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.363 7.733 -9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.748 9.886 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.553 9.428 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.959 10.912 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.685 9.383 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.905 9.828 -9.577 1.00 0.00 H new ATOM 757 N ARG A 49 1.874 3.940 -11.990 1.00 0.00 N ATOM 758 CA ARG A 49 1.699 3.377 -13.355 1.00 0.00 C ATOM 759 C ARG A 49 0.496 2.431 -13.389 1.00 0.00 C ATOM 760 O ARG A 49 -0.606 2.821 -13.724 1.00 0.00 O ATOM 761 CB ARG A 49 2.991 2.604 -13.614 1.00 0.00 C ATOM 762 CG ARG A 49 4.013 3.522 -14.285 1.00 0.00 C ATOM 763 CD ARG A 49 4.767 2.741 -15.365 1.00 0.00 C ATOM 764 NE ARG A 49 4.033 3.029 -16.628 1.00 0.00 N ATOM 765 CZ ARG A 49 4.666 3.542 -17.648 1.00 0.00 C ATOM 766 NH1 ARG A 49 5.552 4.482 -17.460 1.00 0.00 N ATOM 767 NH2 ARG A 49 4.412 3.118 -18.855 1.00 0.00 N ATOM 0 H ARG A 49 1.898 3.248 -11.241 1.00 0.00 H new ATOM 0 HA ARG A 49 1.516 4.147 -14.105 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.392 2.221 -12.675 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.789 1.742 -14.250 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.510 4.382 -14.727 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.713 3.908 -13.544 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.807 3.061 -15.431 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.775 1.673 -15.147 1.00 0.00 H new ATOM 0 HE ARG A 49 3.036 2.826 -16.696 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.749 4.815 -16.516 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.047 4.883 -18.257 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.718 2.385 -19.003 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.907 3.519 -19.651 1.00 0.00 H new ATOM 781 N GLY A 50 0.701 1.189 -13.046 1.00 0.00 N ATOM 782 CA GLY A 50 -0.425 0.213 -13.056 1.00 0.00 C ATOM 783 C GLY A 50 -0.113 -0.939 -12.099 1.00 0.00 C ATOM 784 O GLY A 50 -0.712 -1.993 -12.167 1.00 0.00 O ATOM 0 H GLY A 50 1.602 0.807 -12.759 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.350 0.706 -12.758 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.579 -0.170 -14.065 1.00 0.00 H new ATOM 788 N ARG A 51 0.818 -0.744 -11.205 1.00 0.00 N ATOM 789 CA ARG A 51 1.165 -1.827 -10.241 1.00 0.00 C ATOM 790 C ARG A 51 0.388 -1.628 -8.937 1.00 0.00 C ATOM 791 O ARG A 51 0.306 -0.535 -8.415 1.00 0.00 O ATOM 792 CB ARG A 51 2.667 -1.675 -9.999 1.00 0.00 C ATOM 793 CG ARG A 51 3.432 -2.625 -10.922 1.00 0.00 C ATOM 794 CD ARG A 51 4.936 -2.451 -10.699 1.00 0.00 C ATOM 795 NE ARG A 51 5.194 -1.003 -10.931 1.00 0.00 N ATOM 796 CZ ARG A 51 5.521 -0.581 -12.122 1.00 0.00 C ATOM 797 NH1 ARG A 51 6.667 -0.926 -12.644 1.00 0.00 N ATOM 798 NH2 ARG A 51 4.703 0.185 -12.790 1.00 0.00 N ATOM 0 H ARG A 51 1.353 0.118 -11.100 1.00 0.00 H new ATOM 0 HA ARG A 51 0.914 -2.818 -10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.974 -0.646 -10.185 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.902 -1.895 -8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.141 -3.656 -10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.181 -2.419 -11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.222 -2.746 -9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.511 -3.070 -11.387 1.00 0.00 H new ATOM 0 HE ARG A 51 5.115 -0.341 -10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.306 -1.525 -12.121 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.923 -0.597 -13.575 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.808 0.454 -12.381 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.959 0.515 -13.721 1.00 0.00 H new ATOM 812 N GLN A 52 -0.191 -2.671 -8.410 1.00 0.00 N ATOM 813 CA GLN A 52 -0.964 -2.529 -7.151 1.00 0.00 C ATOM 814 C GLN A 52 -0.229 -3.205 -5.992 1.00 0.00 C ATOM 815 O GLN A 52 0.650 -4.021 -6.188 1.00 0.00 O ATOM 816 CB GLN A 52 -2.284 -3.239 -7.426 1.00 0.00 C ATOM 817 CG GLN A 52 -2.827 -2.821 -8.797 1.00 0.00 C ATOM 818 CD GLN A 52 -3.390 -4.046 -9.518 1.00 0.00 C ATOM 819 OE1 GLN A 52 -4.563 -4.345 -9.407 1.00 0.00 O ATOM 820 NE2 GLN A 52 -2.599 -4.774 -10.259 1.00 0.00 N ATOM 0 H GLN A 52 -0.161 -3.614 -8.799 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.104 -1.486 -6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.139 -4.319 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.008 -2.994 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.605 -2.067 -8.677 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.033 -2.369 -9.392 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.615 -4.524 -10.353 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.965 -5.593 -10.744 1.00 0.00 H new ATOM 829 N VAL A 53 -0.587 -2.866 -4.788 1.00 0.00 N ATOM 830 CA VAL A 53 0.073 -3.474 -3.604 1.00 0.00 C ATOM 831 C VAL A 53 -0.961 -3.719 -2.501 1.00 0.00 C ATOM 832 O VAL A 53 -1.957 -3.038 -2.415 1.00 0.00 O ATOM 833 CB VAL A 53 1.102 -2.432 -3.162 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.288 -2.510 -1.650 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.441 -2.715 -3.849 1.00 0.00 C ATOM 0 H VAL A 53 -1.316 -2.187 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 53 0.535 -4.437 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 53 0.751 -1.437 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.021 -1.768 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.337 -2.313 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.639 -3.505 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.175 -1.973 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.789 -3.710 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.313 -2.664 -4.930 1.00 0.00 H new ATOM 845 N CYS A 54 -0.734 -4.689 -1.662 1.00 0.00 N ATOM 846 CA CYS A 54 -1.707 -4.975 -0.569 1.00 0.00 C ATOM 847 C CYS A 54 -0.976 -5.088 0.767 1.00 0.00 C ATOM 848 O CYS A 54 -0.146 -5.952 0.948 1.00 0.00 O ATOM 849 CB CYS A 54 -2.325 -6.316 -0.950 1.00 0.00 C ATOM 850 SG CYS A 54 -3.657 -6.723 0.207 1.00 0.00 S ATOM 0 H CYS A 54 0.084 -5.298 -1.685 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.455 -4.190 -0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.714 -6.272 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.564 -7.096 -0.933 1.00 0.00 H new ATOM 855 N ALA A 55 -1.272 -4.230 1.707 1.00 0.00 N ATOM 856 CA ALA A 55 -0.577 -4.316 3.021 1.00 0.00 C ATOM 857 C ALA A 55 -1.561 -4.042 4.162 1.00 0.00 C ATOM 858 O ALA A 55 -2.603 -3.444 3.969 1.00 0.00 O ATOM 859 CB ALA A 55 0.502 -3.238 2.967 1.00 0.00 C ATOM 0 H ALA A 55 -1.959 -3.481 1.622 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.155 -5.305 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.062 -3.236 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.180 -3.443 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.036 -2.264 2.821 1.00 0.00 H new ATOM 865 N ASP A 56 -1.238 -4.478 5.348 1.00 0.00 N ATOM 866 CA ASP A 56 -2.150 -4.245 6.504 1.00 0.00 C ATOM 867 C ASP A 56 -2.026 -2.800 6.990 1.00 0.00 C ATOM 868 O ASP A 56 -0.959 -2.346 7.354 1.00 0.00 O ATOM 869 CB ASP A 56 -1.676 -5.219 7.584 1.00 0.00 C ATOM 870 CG ASP A 56 -2.776 -5.393 8.633 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.662 -4.556 8.678 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.713 -6.361 9.373 1.00 0.00 O ATOM 0 H ASP A 56 -0.381 -4.986 5.567 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.197 -4.403 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.429 -6.182 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.767 -4.843 8.054 1.00 0.00 H new ATOM 877 N LYS A 57 -3.108 -2.071 6.996 1.00 0.00 N ATOM 878 CA LYS A 57 -3.050 -0.651 7.455 1.00 0.00 C ATOM 879 C LYS A 57 -2.467 -0.570 8.870 1.00 0.00 C ATOM 880 O LYS A 57 -2.099 0.490 9.338 1.00 0.00 O ATOM 881 CB LYS A 57 -4.499 -0.157 7.445 1.00 0.00 C ATOM 882 CG LYS A 57 -5.436 -1.276 7.904 1.00 0.00 C ATOM 883 CD LYS A 57 -6.200 -1.825 6.697 1.00 0.00 C ATOM 884 CE LYS A 57 -7.689 -1.502 6.842 1.00 0.00 C ATOM 885 NZ LYS A 57 -8.180 -2.424 7.904 1.00 0.00 N ATOM 0 H LYS A 57 -4.030 -2.395 6.704 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.412 -0.044 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.602 0.707 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.774 0.170 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.864 -2.073 8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.135 -0.897 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.810 -1.388 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.057 -2.903 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.842 -0.460 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.221 -1.661 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.181 -2.649 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.620 -3.300 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.082 -1.967 8.833 1.00 0.00 H new ATOM 899 N SER A 58 -2.380 -1.677 9.556 1.00 0.00 N ATOM 900 CA SER A 58 -1.822 -1.654 10.938 1.00 0.00 C ATOM 901 C SER A 58 -0.291 -1.633 10.895 1.00 0.00 C ATOM 902 O SER A 58 0.370 -1.816 11.899 1.00 0.00 O ATOM 903 CB SER A 58 -2.321 -2.945 11.585 1.00 0.00 C ATOM 904 OG SER A 58 -2.085 -4.033 10.703 1.00 0.00 O ATOM 0 H SER A 58 -2.671 -2.595 9.220 1.00 0.00 H new ATOM 0 HA SER A 58 -2.134 -0.770 11.493 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.809 -3.112 12.533 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.385 -2.866 11.807 1.00 0.00 H new ATOM 0 HG SER A 58 -2.253 -4.877 11.172 1.00 0.00 H new ATOM 910 N LYS A 59 0.278 -1.409 9.742 1.00 0.00 N ATOM 911 CA LYS A 59 1.765 -1.375 9.640 1.00 0.00 C ATOM 912 C LYS A 59 2.265 0.070 9.660 1.00 0.00 C ATOM 913 O LYS A 59 1.897 0.879 8.834 1.00 0.00 O ATOM 914 CB LYS A 59 2.085 -2.037 8.301 1.00 0.00 C ATOM 915 CG LYS A 59 2.403 -3.517 8.527 1.00 0.00 C ATOM 916 CD LYS A 59 3.903 -3.685 8.779 1.00 0.00 C ATOM 917 CE LYS A 59 4.173 -3.700 10.286 1.00 0.00 C ATOM 918 NZ LYS A 59 5.652 -3.826 10.412 1.00 0.00 N ATOM 0 H LYS A 59 -0.221 -1.248 8.867 1.00 0.00 H new ATOM 0 HA LYS A 59 2.248 -1.887 10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.239 -1.935 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.933 -1.539 7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.836 -3.896 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.102 -4.101 7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.256 -4.612 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.454 -2.871 8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.813 -2.787 10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.663 -4.533 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.914 -3.843 11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.965 -4.707 9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.110 -3.016 9.948 1.00 0.00 H new ATOM 932 N ASP A 60 3.099 0.393 10.604 1.00 0.00 N ATOM 933 CA ASP A 60 3.630 1.781 10.698 1.00 0.00 C ATOM 934 C ASP A 60 3.965 2.332 9.307 1.00 0.00 C ATOM 935 O ASP A 60 3.429 3.338 8.885 1.00 0.00 O ATOM 936 CB ASP A 60 4.897 1.650 11.541 1.00 0.00 C ATOM 937 CG ASP A 60 4.547 1.824 13.020 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.708 2.658 13.317 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.125 1.120 13.832 1.00 0.00 O ATOM 0 H ASP A 60 3.439 -0.248 11.321 1.00 0.00 H new ATOM 0 HA ASP A 60 2.907 2.470 11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.356 0.675 11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.627 2.401 11.238 1.00 0.00 H new ATOM 944 N TRP A 61 4.852 1.691 8.597 1.00 0.00 N ATOM 945 CA TRP A 61 5.222 2.193 7.241 1.00 0.00 C ATOM 946 C TRP A 61 3.976 2.347 6.367 1.00 0.00 C ATOM 947 O TRP A 61 3.847 3.293 5.614 1.00 0.00 O ATOM 948 CB TRP A 61 6.170 1.137 6.668 1.00 0.00 C ATOM 949 CG TRP A 61 5.404 -0.049 6.176 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.045 -1.102 6.937 1.00 0.00 C ATOM 951 CD2 TRP A 61 4.915 -0.330 4.832 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.374 -2.020 6.147 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.267 -1.587 4.841 1.00 0.00 C ATOM 954 CE3 TRP A 61 4.971 0.375 3.620 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.698 -2.125 3.684 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.397 -0.163 2.456 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.763 -1.413 2.489 1.00 0.00 C ATOM 0 H TRP A 61 5.336 0.844 8.895 1.00 0.00 H new ATOM 0 HA TRP A 61 5.692 3.176 7.281 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.750 1.566 5.851 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.881 0.825 7.433 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.248 -1.212 7.992 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.004 -2.907 6.488 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.459 1.338 3.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.210 -3.088 3.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.444 0.390 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.326 -1.823 1.590 1.00 0.00 H new ATOM 968 N VAL A 62 3.053 1.434 6.466 1.00 0.00 N ATOM 969 CA VAL A 62 1.819 1.540 5.647 1.00 0.00 C ATOM 970 C VAL A 62 0.976 2.729 6.118 1.00 0.00 C ATOM 971 O VAL A 62 0.657 3.614 5.350 1.00 0.00 O ATOM 972 CB VAL A 62 1.095 0.218 5.880 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.406 0.437 5.786 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.516 -0.786 4.809 1.00 0.00 C ATOM 0 H VAL A 62 3.101 0.620 7.079 1.00 0.00 H new ATOM 0 HA VAL A 62 2.022 1.709 4.589 1.00 0.00 H new ATOM 0 HB VAL A 62 1.351 -0.163 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.923 -0.508 5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.716 1.158 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.657 0.818 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.000 -1.732 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.257 -0.398 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.593 -0.946 4.864 1.00 0.00 H new ATOM 984 N LYS A 63 0.613 2.765 7.370 1.00 0.00 N ATOM 985 CA LYS A 63 -0.197 3.901 7.869 1.00 0.00 C ATOM 986 C LYS A 63 0.331 5.205 7.273 1.00 0.00 C ATOM 987 O LYS A 63 -0.414 5.997 6.731 1.00 0.00 O ATOM 988 CB LYS A 63 -0.004 3.868 9.382 1.00 0.00 C ATOM 989 CG LYS A 63 -1.260 4.401 10.059 1.00 0.00 C ATOM 990 CD LYS A 63 -1.041 4.463 11.572 1.00 0.00 C ATOM 991 CE LYS A 63 -2.116 3.633 12.277 1.00 0.00 C ATOM 992 NZ LYS A 63 -1.365 2.740 13.203 1.00 0.00 N ATOM 0 H LYS A 63 0.844 2.056 8.065 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.250 3.834 7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.197 2.849 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.859 4.471 9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.499 5.393 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.109 3.757 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.051 4.083 11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.082 5.497 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.813 4.270 12.821 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.703 3.057 11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.034 2.138 13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.714 2.141 12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.821 3.317 13.877 1.00 0.00 H new ATOM 1006 N LYS A 64 1.615 5.425 7.344 1.00 0.00 N ATOM 1007 CA LYS A 64 2.180 6.668 6.752 1.00 0.00 C ATOM 1008 C LYS A 64 1.775 6.739 5.281 1.00 0.00 C ATOM 1009 O LYS A 64 1.374 7.771 4.781 1.00 0.00 O ATOM 1010 CB LYS A 64 3.696 6.528 6.891 1.00 0.00 C ATOM 1011 CG LYS A 64 4.389 7.468 5.902 1.00 0.00 C ATOM 1012 CD LYS A 64 5.826 7.721 6.359 1.00 0.00 C ATOM 1013 CE LYS A 64 5.828 8.758 7.485 1.00 0.00 C ATOM 1014 NZ LYS A 64 6.606 9.908 6.946 1.00 0.00 N ATOM 0 H LYS A 64 2.293 4.802 7.783 1.00 0.00 H new ATOM 0 HA LYS A 64 1.823 7.575 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.002 6.766 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.996 5.497 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.386 7.030 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.845 8.411 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.278 6.791 6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.428 8.076 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.813 9.056 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.288 8.359 8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.652 10.662 7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.569 9.595 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.140 10.271 6.090 1.00 0.00 H new ATOM 1028 N LEU A 65 1.865 5.634 4.589 1.00 0.00 N ATOM 1029 CA LEU A 65 1.472 5.620 3.153 1.00 0.00 C ATOM 1030 C LEU A 65 0.024 6.090 3.014 1.00 0.00 C ATOM 1031 O LEU A 65 -0.267 7.052 2.336 1.00 0.00 O ATOM 1032 CB LEU A 65 1.614 4.158 2.721 1.00 0.00 C ATOM 1033 CG LEU A 65 3.071 3.880 2.350 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.404 2.421 2.653 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.280 4.139 0.858 1.00 0.00 C ATOM 0 H LEU A 65 2.194 4.742 4.958 1.00 0.00 H new ATOM 0 HA LEU A 65 2.084 6.281 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.300 3.496 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.965 3.954 1.870 1.00 0.00 H new ATOM 0 HG LEU A 65 3.720 4.536 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.443 2.222 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.257 2.227 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.751 1.770 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.319 3.940 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.628 3.484 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.042 5.178 0.632 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.887 5.421 3.662 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.318 5.831 3.575 1.00 0.00 C HETATM 1049 C MSE A 66 -2.470 7.301 3.979 1.00 0.00 C HETATM 1050 O MSE A 66 -3.467 7.934 3.692 1.00 0.00 O HETATM 1051 CB MSE A 66 -3.047 4.928 4.571 1.00 0.00 C HETATM 1052 CG MSE A 66 -3.418 3.608 3.889 1.00 0.00 C HETATM 1053 SE MSE A 66 -4.992 2.889 5.008 1.00 0.00 SE HETATM 1054 CE MSE A 66 -4.298 3.493 6.854 1.00 0.00 C HETATM 0 H MSE A 66 -0.704 4.607 4.249 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.716 5.733 2.565 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -2.412 4.736 5.436 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -3.945 5.425 4.938 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -3.706 3.764 2.849 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -2.580 2.911 3.886 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -5.011 3.200 7.625 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -3.335 3.022 7.053 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -4.181 4.577 6.862 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.489 7.847 4.645 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.576 9.273 5.072 1.00 0.00 C ATOM 1066 C GLN A 67 -1.165 10.201 3.925 1.00 0.00 C ATOM 1067 O GLN A 67 -1.866 11.132 3.586 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.595 9.395 6.238 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.829 10.719 6.966 1.00 0.00 C ATOM 1070 CD GLN A 67 -1.666 10.471 8.223 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -2.377 9.489 8.309 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -1.611 11.325 9.208 1.00 0.00 N ATOM 0 H GLN A 67 -0.630 7.367 4.912 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.589 9.556 5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.727 8.561 6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.430 9.346 5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.125 11.171 7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.341 11.422 6.309 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.014 12.149 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.165 11.168 10.050 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.030 9.956 3.327 1.00 0.00 N ATOM 1082 CA GLN A 68 0.424 10.827 2.205 1.00 0.00 C ATOM 1083 C GLN A 68 -0.296 10.450 0.909 1.00 0.00 C ATOM 1084 O GLN A 68 -0.449 11.256 0.012 1.00 0.00 O ATOM 1085 CB GLN A 68 1.922 10.554 2.077 1.00 0.00 C ATOM 1086 CG GLN A 68 2.699 11.530 2.963 1.00 0.00 C ATOM 1087 CD GLN A 68 3.941 12.017 2.215 1.00 0.00 C ATOM 1088 OE1 GLN A 68 5.112 11.543 2.542 1.00 0.00 O flip ATOM 1089 NE2 GLN A 68 3.846 12.839 1.325 1.00 0.00 N flip ATOM 0 H GLN A 68 0.601 9.192 3.567 1.00 0.00 H new ATOM 0 HA GLN A 68 0.210 11.879 2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.141 9.527 2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.234 10.662 1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.067 12.377 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.989 11.042 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.931 13.210 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.681 13.158 0.834 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.733 9.227 0.802 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.436 8.788 -0.434 1.00 0.00 C ATOM 1100 C LEU A 69 -2.942 9.036 -0.301 1.00 0.00 C ATOM 1101 O LEU A 69 -3.509 8.858 0.758 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.152 7.290 -0.541 1.00 0.00 C ATOM 1103 CG LEU A 69 0.302 6.997 -0.168 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.426 5.542 0.281 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.199 7.218 -1.381 1.00 0.00 C ATOM 0 H LEU A 69 -0.633 8.510 1.520 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.098 9.332 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.822 6.738 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.350 6.947 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 69 0.606 7.664 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.462 5.330 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.213 5.373 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.118 4.883 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.234 7.008 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.892 6.551 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.113 8.253 -1.713 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.537 9.443 -1.389 1.00 0.00 N ATOM 1118 CA PRO A 70 -4.986 9.724 -1.408 1.00 0.00 C ATOM 1119 C PRO A 70 -5.778 8.451 -1.728 1.00 0.00 C ATOM 1120 O PRO A 70 -5.768 7.971 -2.844 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.123 10.740 -2.536 1.00 0.00 C ATOM 1122 CG PRO A 70 -3.949 10.503 -3.445 1.00 0.00 C ATOM 1123 CD PRO A 70 -2.923 9.683 -2.693 1.00 0.00 C ATOM 0 HA PRO A 70 -5.369 10.085 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.064 10.607 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.118 11.759 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.267 9.979 -4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.517 11.452 -3.763 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.706 8.747 -3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.979 10.219 -2.595 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.467 7.905 -0.764 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.260 6.668 -1.029 1.00 0.00 C ATOM 1133 C VAL A 71 -8.017 6.811 -2.352 1.00 0.00 C ATOM 1134 O VAL A 71 -8.979 7.547 -2.451 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.241 6.566 0.135 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -8.997 7.885 0.265 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.237 5.436 -0.132 1.00 0.00 C ATOM 0 H VAL A 71 -6.516 8.258 0.192 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.631 5.781 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.697 6.358 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.701 7.821 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.289 8.693 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.542 8.085 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.937 5.364 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.785 5.644 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.699 4.494 -0.236 1.00 0.00 H new ATOM 1147 N THR A 72 -7.585 6.118 -3.367 1.00 0.00 N ATOM 1148 CA THR A 72 -8.271 6.211 -4.691 1.00 0.00 C ATOM 1149 C THR A 72 -9.778 5.984 -4.536 1.00 0.00 C ATOM 1150 O THR A 72 -10.339 6.128 -3.468 1.00 0.00 O ATOM 1151 CB THR A 72 -7.643 5.102 -5.548 1.00 0.00 C ATOM 1152 OG1 THR A 72 -7.539 5.550 -6.893 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.505 3.836 -5.499 1.00 0.00 C ATOM 0 H THR A 72 -6.783 5.488 -3.339 1.00 0.00 H new ATOM 0 HA THR A 72 -8.149 7.195 -5.144 1.00 0.00 H new ATOM 0 HB THR A 72 -6.653 4.869 -5.155 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.768 5.123 -7.321 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.046 3.060 -6.111 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.582 3.488 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.501 4.059 -5.882 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.432 5.621 -5.602 1.00 0.00 N ATOM 1162 CA ALA A 73 -11.903 5.377 -5.531 1.00 0.00 C ATOM 1163 C ALA A 73 -12.400 4.764 -6.842 1.00 0.00 C ATOM 1164 O ALA A 73 -13.382 5.199 -7.409 1.00 0.00 O ATOM 1165 CB ALA A 73 -12.523 6.757 -5.315 1.00 0.00 C ATOM 0 H ALA A 73 -10.013 5.482 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.169 4.682 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.607 6.663 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.141 7.186 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.263 7.407 -6.150 1.00 0.00 H new ATOM 1171 N ARG A 74 -11.728 3.756 -7.329 1.00 0.00 N ATOM 1172 CA ARG A 74 -12.162 3.116 -8.604 1.00 0.00 C ATOM 1173 C ARG A 74 -13.078 1.925 -8.313 1.00 0.00 C ATOM 1174 CB ARG A 74 -10.868 2.648 -9.270 1.00 0.00 C ATOM 1175 CG ARG A 74 -9.905 3.829 -9.404 1.00 0.00 C ATOM 1176 CD ARG A 74 -8.494 3.385 -9.014 1.00 0.00 C ATOM 1177 NE ARG A 74 -7.592 4.103 -9.955 1.00 0.00 N ATOM 1178 CZ ARG A 74 -6.973 3.445 -10.897 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -6.440 2.283 -10.638 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -6.889 3.949 -12.098 1.00 0.00 N ATOM 0 H ARG A 74 -10.898 3.348 -6.899 1.00 0.00 H new ATOM 0 HA ARG A 74 -12.724 3.800 -9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.408 1.856 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.084 2.228 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.910 4.201 -10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.229 4.650 -8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.271 3.643 -7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.381 2.305 -9.105 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.457 5.110 -9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.507 1.889 -9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.956 1.768 -11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.307 4.857 -12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.405 3.435 -12.834 1.00 0.00 H new TER 1194 ARG A 74