USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 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 33 THR OG1 : rot -75:sc= 1.92 USER MOD Set 1.2: A 35 SER OG : rot -53:sc= 1.04 USER MOD Set 1.3: A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-1.4) USER MOD Single : A 22 SER OG : rot 76:sc= 0.992 USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0347) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -4.52! C(o=-4.5!,f=-7.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0726 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -165:sc= -3.65! (180deg=-4.41!) USER MOD Single : A 71 ASN : amide:sc= -0.114 K(o=-0.11,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -6.040 -26.553 -17.288 1.00 0.00 N ATOM 46 CA GLN A 5 -7.116 -27.049 -16.385 1.00 0.00 C ATOM 47 C GLN A 5 -7.043 -26.308 -15.048 1.00 0.00 C ATOM 48 O GLN A 5 -5.987 -25.885 -14.621 1.00 0.00 O ATOM 49 CB GLN A 5 -6.933 -28.549 -16.148 1.00 0.00 C ATOM 50 CG GLN A 5 -7.046 -29.293 -17.479 1.00 0.00 C ATOM 51 CD GLN A 5 -6.834 -30.791 -17.246 1.00 0.00 C ATOM 52 OE1 GLN A 5 -6.323 -31.191 -16.219 1.00 0.00 O ATOM 53 NE2 GLN A 5 -7.209 -31.641 -18.162 1.00 0.00 N ATOM 0 HA GLN A 5 -8.087 -26.870 -16.846 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.961 -28.740 -15.694 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.688 -28.913 -15.451 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.026 -29.118 -17.923 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.305 -28.915 -18.183 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.638 -31.305 -19.024 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.073 -32.641 -18.016 1.00 0.00 H new ATOM 62 N LYS A 6 -8.155 -26.147 -14.384 1.00 0.00 N ATOM 63 CA LYS A 6 -8.146 -25.433 -13.078 1.00 0.00 C ATOM 64 C LYS A 6 -8.968 -26.223 -12.057 1.00 0.00 C ATOM 65 O LYS A 6 -9.955 -26.847 -12.390 1.00 0.00 O ATOM 66 CB LYS A 6 -8.754 -24.041 -13.253 1.00 0.00 C ATOM 67 CG LYS A 6 -10.242 -24.173 -13.584 1.00 0.00 C ATOM 68 CD LYS A 6 -10.826 -22.790 -13.876 1.00 0.00 C ATOM 69 CE LYS A 6 -12.351 -22.879 -13.925 1.00 0.00 C ATOM 70 NZ LYS A 6 -12.861 -22.070 -15.068 1.00 0.00 N ATOM 0 H LYS A 6 -9.069 -26.480 -14.691 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.119 -25.340 -12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.624 -23.458 -12.341 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.239 -23.505 -14.050 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.377 -24.826 -14.447 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.771 -24.634 -12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.517 -22.083 -13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.443 -22.415 -14.825 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.662 -23.918 -14.034 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.777 -22.515 -12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.899 -22.131 -15.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.576 -21.077 -14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.464 -22.436 -15.957 1.00 0.00 H new ATOM 84 N ILE A 7 -8.569 -26.199 -10.815 1.00 0.00 N ATOM 85 CA ILE A 7 -9.328 -26.948 -9.773 1.00 0.00 C ATOM 86 C ILE A 7 -9.890 -25.963 -8.746 1.00 0.00 C ATOM 87 O ILE A 7 -9.272 -24.968 -8.423 1.00 0.00 O ATOM 88 CB ILE A 7 -8.396 -27.939 -9.074 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.790 -28.889 -10.109 1.00 0.00 C ATOM 90 CG2 ILE A 7 -9.188 -28.744 -8.043 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.737 -29.771 -9.437 1.00 0.00 C ATOM 0 H ILE A 7 -7.750 -25.693 -10.476 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.148 -27.492 -10.242 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.597 -27.393 -8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.571 -29.509 -10.551 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.338 -28.319 -10.921 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.524 -29.450 -7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.617 -28.067 -7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.988 -29.289 -8.544 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.305 -30.448 -10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.951 -29.143 -9.016 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.203 -30.351 -8.641 1.00 0.00 H new ATOM 103 N ARG A 8 -11.058 -26.230 -8.230 1.00 0.00 N ATOM 104 CA ARG A 8 -11.658 -25.306 -7.226 1.00 0.00 C ATOM 105 C ARG A 8 -11.823 -26.038 -5.892 1.00 0.00 C ATOM 106 O ARG A 8 -12.272 -27.166 -5.844 1.00 0.00 O ATOM 107 CB ARG A 8 -13.027 -24.833 -7.720 1.00 0.00 C ATOM 108 CG ARG A 8 -12.853 -24.025 -9.008 1.00 0.00 C ATOM 109 CD ARG A 8 -14.215 -23.508 -9.473 1.00 0.00 C ATOM 110 NE ARG A 8 -14.678 -22.431 -8.553 1.00 0.00 N ATOM 111 CZ ARG A 8 -14.753 -21.198 -8.976 1.00 0.00 C ATOM 112 NH1 ARG A 8 -13.768 -20.682 -9.659 1.00 0.00 N ATOM 113 NH2 ARG A 8 -15.813 -20.482 -8.718 1.00 0.00 N ATOM 0 H ARG A 8 -11.623 -27.048 -8.460 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.004 -24.445 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.676 -25.690 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.510 -24.222 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.174 -23.190 -8.837 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.404 -24.647 -9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.142 -23.125 -10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.939 -24.323 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.936 -22.657 -7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.940 -21.242 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.826 -19.719 -9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.584 -20.885 -8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.871 -19.519 -9.049 1.00 0.00 H new ATOM 127 N ILE A 9 -11.468 -25.404 -4.809 1.00 0.00 N ATOM 128 CA ILE A 9 -11.605 -26.062 -3.479 1.00 0.00 C ATOM 129 C ILE A 9 -12.528 -25.223 -2.592 1.00 0.00 C ATOM 130 O ILE A 9 -12.351 -24.030 -2.450 1.00 0.00 O ATOM 131 CB ILE A 9 -10.229 -26.177 -2.821 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.283 -26.944 -3.747 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.360 -26.926 -1.493 1.00 0.00 C ATOM 134 CD1 ILE A 9 -7.869 -26.925 -3.162 1.00 0.00 C ATOM 0 H ILE A 9 -11.088 -24.457 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.028 -27.058 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.829 -25.180 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.626 -27.972 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.284 -26.493 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.380 -27.008 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.034 -26.380 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.760 -27.923 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.195 -27.471 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.528 -25.894 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.876 -27.396 -2.179 1.00 0.00 H new ATOM 146 N LYS A 10 -13.512 -25.836 -1.994 1.00 0.00 N ATOM 147 CA LYS A 10 -14.445 -25.071 -1.119 1.00 0.00 C ATOM 148 C LYS A 10 -14.112 -25.342 0.350 1.00 0.00 C ATOM 149 O LYS A 10 -13.935 -26.473 0.757 1.00 0.00 O ATOM 150 CB LYS A 10 -15.882 -25.505 -1.406 1.00 0.00 C ATOM 151 CG LYS A 10 -16.307 -24.986 -2.781 1.00 0.00 C ATOM 152 CD LYS A 10 -17.754 -25.400 -3.059 1.00 0.00 C ATOM 153 CE LYS A 10 -18.109 -25.068 -4.510 1.00 0.00 C ATOM 154 NZ LYS A 10 -18.429 -23.617 -4.623 1.00 0.00 N ATOM 0 H LYS A 10 -13.710 -26.833 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.339 -24.005 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.958 -26.592 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.550 -25.118 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.215 -23.900 -2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.649 -25.386 -3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.879 -26.467 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.429 -24.880 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.276 -25.320 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.961 -25.666 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.670 -23.390 -5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.237 -23.391 -4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.604 -23.056 -4.331 1.00 0.00 H new ATOM 168 N LEU A 11 -14.029 -24.313 1.147 1.00 0.00 N ATOM 169 CA LEU A 11 -13.710 -24.509 2.589 1.00 0.00 C ATOM 170 C LEU A 11 -14.963 -24.242 3.426 1.00 0.00 C ATOM 171 O LEU A 11 -15.696 -23.304 3.183 1.00 0.00 O ATOM 172 CB LEU A 11 -12.603 -23.539 3.003 1.00 0.00 C ATOM 173 CG LEU A 11 -11.359 -23.792 2.149 1.00 0.00 C ATOM 174 CD1 LEU A 11 -11.588 -23.244 0.740 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.155 -23.088 2.781 1.00 0.00 C ATOM 0 H LEU A 11 -14.168 -23.344 0.862 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.374 -25.533 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.940 -22.510 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.366 -23.670 4.059 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.167 -24.864 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.702 -23.424 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.445 -23.744 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.780 -22.172 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.268 -23.268 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.347 -22.016 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.992 -23.478 3.786 1.00 0.00 H new ATOM 187 N LYS A 12 -15.217 -25.060 4.411 1.00 0.00 N ATOM 188 CA LYS A 12 -16.423 -24.851 5.261 1.00 0.00 C ATOM 189 C LYS A 12 -16.008 -24.784 6.731 1.00 0.00 C ATOM 190 O LYS A 12 -15.190 -25.556 7.191 1.00 0.00 O ATOM 191 CB LYS A 12 -17.396 -26.016 5.060 1.00 0.00 C ATOM 192 CG LYS A 12 -17.774 -26.116 3.581 1.00 0.00 C ATOM 193 CD LYS A 12 -18.867 -27.173 3.405 1.00 0.00 C ATOM 194 CE LYS A 12 -19.219 -27.302 1.921 1.00 0.00 C ATOM 195 NZ LYS A 12 -19.305 -28.744 1.555 1.00 0.00 N ATOM 0 H LYS A 12 -14.642 -25.864 4.664 1.00 0.00 H new ATOM 0 HA LYS A 12 -16.908 -23.917 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -16.938 -26.948 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.290 -25.866 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.125 -25.150 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.899 -26.380 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.526 -28.133 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.752 -26.895 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.168 -26.807 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.463 -26.806 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.544 -28.833 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -18.389 -29.203 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.042 -29.204 2.127 1.00 0.00 H new ATOM 209 N ALA A 13 -16.564 -23.866 7.475 1.00 0.00 N ATOM 210 CA ALA A 13 -16.200 -23.751 8.916 1.00 0.00 C ATOM 211 C ALA A 13 -17.179 -22.809 9.619 1.00 0.00 C ATOM 212 O ALA A 13 -17.580 -21.797 9.078 1.00 0.00 O ATOM 213 CB ALA A 13 -14.780 -23.196 9.042 1.00 0.00 C ATOM 0 H ALA A 13 -17.255 -23.191 7.147 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.248 -24.736 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.514 -23.112 10.096 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.081 -23.868 8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.731 -22.212 8.576 1.00 0.00 H new ATOM 219 N TYR A 14 -17.566 -23.133 10.822 1.00 0.00 N ATOM 220 CA TYR A 14 -18.518 -22.259 11.561 1.00 0.00 C ATOM 221 C TYR A 14 -17.955 -20.837 11.641 1.00 0.00 C ATOM 222 O TYR A 14 -18.637 -19.874 11.351 1.00 0.00 O ATOM 223 CB TYR A 14 -18.711 -22.806 12.975 1.00 0.00 C ATOM 224 CG TYR A 14 -19.957 -22.206 13.578 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.216 -22.635 13.146 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.853 -21.221 14.566 1.00 0.00 C ATOM 227 CE1 TYR A 14 -22.374 -22.078 13.702 1.00 0.00 C ATOM 228 CE2 TYR A 14 -21.010 -20.664 15.124 1.00 0.00 C ATOM 229 CZ TYR A 14 -22.271 -21.092 14.691 1.00 0.00 C ATOM 230 OH TYR A 14 -23.411 -20.543 15.240 1.00 0.00 O ATOM 0 H TYR A 14 -17.263 -23.967 11.325 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.475 -22.241 11.039 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.793 -23.893 12.948 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -17.844 -22.567 13.591 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.295 -23.396 12.384 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.880 -20.890 14.898 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.346 -22.409 13.368 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -20.930 -19.905 15.888 1.00 0.00 H new ATOM 0 HH TYR A 14 -23.161 -19.875 15.912 1.00 0.00 H new ATOM 240 N ASP A 15 -16.718 -20.699 12.033 1.00 0.00 N ATOM 241 CA ASP A 15 -16.118 -19.339 12.133 1.00 0.00 C ATOM 242 C ASP A 15 -15.306 -19.039 10.873 1.00 0.00 C ATOM 243 O ASP A 15 -14.515 -19.846 10.426 1.00 0.00 O ATOM 244 CB ASP A 15 -15.203 -19.276 13.357 1.00 0.00 C ATOM 245 CG ASP A 15 -16.043 -19.379 14.631 1.00 0.00 C ATOM 246 OD1 ASP A 15 -17.247 -19.203 14.537 1.00 0.00 O ATOM 247 OD2 ASP A 15 -15.470 -19.633 15.677 1.00 0.00 O ATOM 0 H ASP A 15 -16.098 -21.468 12.288 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.913 -18.600 12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.476 -20.087 13.322 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.640 -18.343 13.355 1.00 0.00 H new ATOM 252 N HIS A 16 -15.494 -17.883 10.297 1.00 0.00 N ATOM 253 CA HIS A 16 -14.731 -17.531 9.067 1.00 0.00 C ATOM 254 C HIS A 16 -13.261 -17.317 9.426 1.00 0.00 C ATOM 255 O HIS A 16 -12.376 -17.536 8.623 1.00 0.00 O ATOM 256 CB HIS A 16 -15.302 -16.247 8.462 1.00 0.00 C ATOM 257 CG HIS A 16 -14.968 -15.082 9.353 1.00 0.00 C ATOM 258 ND1 HIS A 16 -15.627 -14.854 10.551 1.00 0.00 N ATOM 259 CD2 HIS A 16 -14.048 -14.070 9.233 1.00 0.00 C ATOM 260 CE1 HIS A 16 -15.098 -13.745 11.100 1.00 0.00 C ATOM 261 NE2 HIS A 16 -14.132 -13.227 10.337 1.00 0.00 N ATOM 0 H HIS A 16 -16.143 -17.168 10.625 1.00 0.00 H new ATOM 0 HA HIS A 16 -14.814 -18.341 8.342 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.890 -16.087 7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -16.383 -16.334 8.349 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.363 -13.947 8.407 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.416 -13.325 12.043 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.575 -12.393 10.523 1.00 0.00 H new ATOM 269 N GLU A 17 -12.992 -16.889 10.629 1.00 0.00 N ATOM 270 CA GLU A 17 -11.577 -16.662 11.041 1.00 0.00 C ATOM 271 C GLU A 17 -10.784 -17.957 10.865 1.00 0.00 C ATOM 272 O GLU A 17 -9.690 -17.960 10.335 1.00 0.00 O ATOM 273 CB GLU A 17 -11.536 -16.233 12.509 1.00 0.00 C ATOM 274 CG GLU A 17 -10.103 -15.859 12.891 1.00 0.00 C ATOM 275 CD GLU A 17 -10.047 -15.510 14.379 1.00 0.00 C ATOM 276 OE1 GLU A 17 -11.077 -15.598 15.028 1.00 0.00 O ATOM 277 OE2 GLU A 17 -8.975 -15.161 14.846 1.00 0.00 O ATOM 0 H GLU A 17 -13.690 -16.687 11.344 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.138 -15.879 10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.200 -15.384 12.669 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.894 -17.042 13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.429 -16.688 12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.766 -15.011 12.295 1.00 0.00 H new ATOM 284 N LEU A 18 -11.325 -19.060 11.306 1.00 0.00 N ATOM 285 CA LEU A 18 -10.602 -20.354 11.162 1.00 0.00 C ATOM 286 C LEU A 18 -10.536 -20.737 9.682 1.00 0.00 C ATOM 287 O LEU A 18 -9.508 -21.148 9.182 1.00 0.00 O ATOM 288 CB LEU A 18 -11.345 -21.441 11.939 1.00 0.00 C ATOM 289 CG LEU A 18 -11.111 -21.245 13.438 1.00 0.00 C ATOM 290 CD1 LEU A 18 -11.667 -19.885 13.867 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.822 -22.355 14.215 1.00 0.00 C ATOM 0 H LEU A 18 -12.237 -19.120 11.760 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.591 -20.253 11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.411 -21.397 11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.996 -22.427 11.631 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.042 -21.283 13.647 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.501 -19.744 14.935 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.161 -19.094 13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.736 -19.847 13.658 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.655 -22.216 15.283 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.891 -22.318 14.007 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.427 -23.324 13.910 1.00 0.00 H new ATOM 303 N LEU A 19 -11.626 -20.605 8.978 1.00 0.00 N ATOM 304 CA LEU A 19 -11.625 -20.959 7.531 1.00 0.00 C ATOM 305 C LEU A 19 -10.644 -20.053 6.786 1.00 0.00 C ATOM 306 O LEU A 19 -9.856 -20.504 5.979 1.00 0.00 O ATOM 307 CB LEU A 19 -13.030 -20.768 6.959 1.00 0.00 C ATOM 308 CG LEU A 19 -13.111 -21.415 5.575 1.00 0.00 C ATOM 309 CD1 LEU A 19 -14.562 -21.793 5.273 1.00 0.00 C ATOM 310 CD2 LEU A 19 -12.611 -20.426 4.520 1.00 0.00 C ATOM 0 H LEU A 19 -12.517 -20.267 9.342 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.322 -21.999 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.769 -21.215 7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.264 -19.706 6.890 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.491 -22.311 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.620 -22.254 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.918 -22.497 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.183 -20.897 5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.668 -20.886 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.231 -19.530 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.577 -20.157 4.735 1.00 0.00 H new ATOM 322 N ASP A 20 -10.685 -18.775 7.051 1.00 0.00 N ATOM 323 CA ASP A 20 -9.753 -17.841 6.360 1.00 0.00 C ATOM 324 C ASP A 20 -8.310 -18.277 6.620 1.00 0.00 C ATOM 325 O ASP A 20 -7.487 -18.297 5.725 1.00 0.00 O ATOM 326 CB ASP A 20 -9.962 -16.424 6.896 1.00 0.00 C ATOM 327 CG ASP A 20 -9.248 -15.423 5.984 1.00 0.00 C ATOM 328 OD1 ASP A 20 -8.728 -15.848 4.965 1.00 0.00 O ATOM 329 OD2 ASP A 20 -9.234 -14.251 6.321 1.00 0.00 O ATOM 0 H ASP A 20 -11.324 -18.338 7.716 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.950 -17.857 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.027 -16.195 6.943 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.575 -16.347 7.912 1.00 0.00 H new ATOM 334 N GLU A 21 -7.996 -18.627 7.836 1.00 0.00 N ATOM 335 CA GLU A 21 -6.607 -19.063 8.152 1.00 0.00 C ATOM 336 C GLU A 21 -6.300 -20.361 7.402 1.00 0.00 C ATOM 337 O GLU A 21 -5.224 -20.541 6.868 1.00 0.00 O ATOM 338 CB GLU A 21 -6.476 -19.299 9.658 1.00 0.00 C ATOM 339 CG GLU A 21 -5.026 -19.657 9.994 1.00 0.00 C ATOM 340 CD GLU A 21 -4.915 -19.985 11.484 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.936 -19.972 12.151 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.810 -20.245 11.932 1.00 0.00 O ATOM 0 H GLU A 21 -8.642 -18.630 8.626 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.903 -18.290 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.777 -18.405 10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.142 -20.103 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.703 -20.510 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.367 -18.826 9.743 1.00 0.00 H new ATOM 349 N SER A 22 -7.238 -21.267 7.359 1.00 0.00 N ATOM 350 CA SER A 22 -7.000 -22.552 6.643 1.00 0.00 C ATOM 351 C SER A 22 -6.776 -22.271 5.155 1.00 0.00 C ATOM 352 O SER A 22 -5.872 -22.803 4.542 1.00 0.00 O ATOM 353 CB SER A 22 -8.216 -23.464 6.812 1.00 0.00 C ATOM 354 OG SER A 22 -8.530 -23.582 8.192 1.00 0.00 O ATOM 0 H SER A 22 -8.158 -21.173 7.788 1.00 0.00 H new ATOM 0 HA SER A 22 -6.119 -23.042 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.068 -23.057 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.008 -24.447 6.390 1.00 0.00 H new ATOM 0 HG SER A 22 -8.971 -22.762 8.498 1.00 0.00 H new ATOM 360 N ALA A 23 -7.592 -21.436 4.572 1.00 0.00 N ATOM 361 CA ALA A 23 -7.425 -21.120 3.126 1.00 0.00 C ATOM 362 C ALA A 23 -6.044 -20.502 2.896 1.00 0.00 C ATOM 363 O ALA A 23 -5.368 -20.810 1.935 1.00 0.00 O ATOM 364 CB ALA A 23 -8.507 -20.128 2.692 1.00 0.00 C ATOM 0 H ALA A 23 -8.366 -20.960 5.034 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.516 -22.035 2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.385 -19.897 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.491 -20.568 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.417 -19.212 3.276 1.00 0.00 H new ATOM 370 N LYS A 24 -5.620 -19.635 3.773 1.00 0.00 N ATOM 371 CA LYS A 24 -4.282 -18.999 3.606 1.00 0.00 C ATOM 372 C LYS A 24 -3.198 -20.078 3.650 1.00 0.00 C ATOM 373 O LYS A 24 -2.281 -20.082 2.853 1.00 0.00 O ATOM 374 CB LYS A 24 -4.050 -17.995 4.736 1.00 0.00 C ATOM 375 CG LYS A 24 -2.719 -17.275 4.514 1.00 0.00 C ATOM 376 CD LYS A 24 -2.445 -16.334 5.689 1.00 0.00 C ATOM 377 CE LYS A 24 -1.183 -15.518 5.405 1.00 0.00 C ATOM 378 NZ LYS A 24 -1.510 -14.408 4.466 1.00 0.00 N ATOM 0 H LYS A 24 -6.142 -19.339 4.598 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.241 -18.481 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.865 -17.272 4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.042 -18.509 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.912 -18.001 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.750 -16.711 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.295 -15.668 5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.321 -16.908 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.780 -15.116 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.413 -16.158 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.746 -14.308 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.402 -14.620 3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.610 -13.521 4.999 1.00 0.00 H new ATOM 392 N LYS A 25 -3.295 -20.993 4.575 1.00 0.00 N ATOM 393 CA LYS A 25 -2.271 -22.071 4.669 1.00 0.00 C ATOM 394 C LYS A 25 -2.263 -22.879 3.369 1.00 0.00 C ATOM 395 O LYS A 25 -1.221 -23.232 2.854 1.00 0.00 O ATOM 396 CB LYS A 25 -2.608 -22.993 5.841 1.00 0.00 C ATOM 397 CG LYS A 25 -1.494 -24.029 6.013 1.00 0.00 C ATOM 398 CD LYS A 25 -1.865 -24.996 7.138 1.00 0.00 C ATOM 399 CE LYS A 25 -0.673 -25.907 7.441 1.00 0.00 C ATOM 400 NZ LYS A 25 0.034 -25.412 8.655 1.00 0.00 N ATOM 0 H LYS A 25 -4.040 -21.041 5.270 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.288 -21.627 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.721 -22.410 6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.560 -23.493 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.346 -24.577 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.552 -23.531 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.148 -24.440 8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.729 -25.594 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.014 -26.930 7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.010 -25.925 6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.844 -26.031 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.372 -24.443 8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.620 -25.417 9.464 1.00 0.00 H new ATOM 414 N ILE A 26 -3.417 -23.174 2.836 1.00 0.00 N ATOM 415 CA ILE A 26 -3.474 -23.958 1.571 1.00 0.00 C ATOM 416 C ILE A 26 -2.899 -23.122 0.426 1.00 0.00 C ATOM 417 O ILE A 26 -2.199 -23.623 -0.431 1.00 0.00 O ATOM 418 CB ILE A 26 -4.930 -24.316 1.259 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.512 -25.137 2.411 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.988 -25.136 -0.031 1.00 0.00 C ATOM 421 CD1 ILE A 26 -7.006 -25.362 2.172 1.00 0.00 C ATOM 0 H ILE A 26 -4.322 -22.906 3.222 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.890 -24.871 1.683 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.510 -23.402 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.996 -26.094 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.358 -24.617 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.024 -25.391 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.574 -24.552 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.408 -26.050 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.422 -25.947 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.515 -24.400 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.148 -25.900 1.235 1.00 0.00 H new ATOM 433 N VAL A 27 -3.188 -21.849 0.406 1.00 0.00 N ATOM 434 CA VAL A 27 -2.657 -20.982 -0.684 1.00 0.00 C ATOM 435 C VAL A 27 -1.127 -20.978 -0.633 1.00 0.00 C ATOM 436 O VAL A 27 -0.464 -21.058 -1.648 1.00 0.00 O ATOM 437 CB VAL A 27 -3.177 -19.555 -0.497 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.496 -18.628 -1.508 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.690 -19.530 -0.722 1.00 0.00 C ATOM 0 H VAL A 27 -3.768 -21.373 1.097 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.987 -21.367 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.954 -19.217 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.866 -17.611 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.418 -18.646 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.719 -18.966 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.061 -18.514 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.913 -19.868 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.176 -20.190 -0.004 1.00 0.00 H new ATOM 449 N GLU A 28 -0.563 -20.885 0.540 1.00 0.00 N ATOM 450 CA GLU A 28 0.923 -20.876 0.653 1.00 0.00 C ATOM 451 C GLU A 28 1.478 -22.222 0.184 1.00 0.00 C ATOM 452 O GLU A 28 2.514 -22.290 -0.447 1.00 0.00 O ATOM 453 CB GLU A 28 1.321 -20.640 2.111 1.00 0.00 C ATOM 454 CG GLU A 28 0.882 -19.239 2.540 1.00 0.00 C ATOM 455 CD GLU A 28 1.571 -18.196 1.659 1.00 0.00 C ATOM 456 OE1 GLU A 28 2.549 -18.544 1.017 1.00 0.00 O ATOM 457 OE2 GLU A 28 1.112 -17.065 1.642 1.00 0.00 O ATOM 0 H GLU A 28 -1.066 -20.815 1.424 1.00 0.00 H new ATOM 0 HA GLU A 28 1.331 -20.079 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.857 -21.390 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.400 -20.746 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.201 -19.144 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.136 -19.071 3.587 1.00 0.00 H new ATOM 464 N VAL A 29 0.797 -23.293 0.486 1.00 0.00 N ATOM 465 CA VAL A 29 1.289 -24.633 0.057 1.00 0.00 C ATOM 466 C VAL A 29 1.056 -24.803 -1.446 1.00 0.00 C ATOM 467 O VAL A 29 1.886 -25.335 -2.156 1.00 0.00 O ATOM 468 CB VAL A 29 0.529 -25.722 0.818 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.116 -27.091 0.469 1.00 0.00 C ATOM 470 CG2 VAL A 29 0.661 -25.479 2.322 1.00 0.00 C ATOM 0 H VAL A 29 -0.078 -23.299 1.011 1.00 0.00 H new ATOM 0 HA VAL A 29 2.354 -24.716 0.271 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.524 -25.695 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.575 -27.867 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.023 -27.264 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.169 -27.118 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.120 -26.254 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.714 -25.506 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.244 -24.503 2.571 1.00 0.00 H new ATOM 480 N ALA A 30 -0.068 -24.356 -1.936 1.00 0.00 N ATOM 481 CA ALA A 30 -0.351 -24.493 -3.393 1.00 0.00 C ATOM 482 C ALA A 30 0.608 -23.603 -4.185 1.00 0.00 C ATOM 483 O ALA A 30 1.175 -24.014 -5.178 1.00 0.00 O ATOM 484 CB ALA A 30 -1.793 -24.065 -3.674 1.00 0.00 C ATOM 0 H ALA A 30 -0.802 -23.903 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.214 -25.532 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.001 -24.165 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.477 -24.699 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.929 -23.026 -3.373 1.00 0.00 H new ATOM 490 N LYS A 31 0.795 -22.386 -3.755 1.00 0.00 N ATOM 491 CA LYS A 31 1.718 -21.470 -4.483 1.00 0.00 C ATOM 492 C LYS A 31 3.126 -22.068 -4.497 1.00 0.00 C ATOM 493 O LYS A 31 3.846 -21.961 -5.469 1.00 0.00 O ATOM 494 CB LYS A 31 1.747 -20.112 -3.781 1.00 0.00 C ATOM 495 CG LYS A 31 2.472 -19.096 -4.665 1.00 0.00 C ATOM 496 CD LYS A 31 2.572 -17.758 -3.928 1.00 0.00 C ATOM 497 CE LYS A 31 3.190 -16.710 -4.856 1.00 0.00 C ATOM 498 NZ LYS A 31 2.491 -15.408 -4.667 1.00 0.00 N ATOM 0 H LYS A 31 0.348 -21.986 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 31 1.369 -21.342 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.731 -19.774 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.252 -20.199 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.468 -19.461 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.935 -18.967 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.583 -17.434 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.181 -17.869 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.253 -16.599 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.107 -17.033 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.910 -14.694 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.482 -15.520 -4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.593 -15.100 -3.679 1.00 0.00 H new ATOM 512 N SER A 32 3.524 -22.698 -3.425 1.00 0.00 N ATOM 513 CA SER A 32 4.885 -23.302 -3.377 1.00 0.00 C ATOM 514 C SER A 32 5.027 -24.332 -4.499 1.00 0.00 C ATOM 515 O SER A 32 6.100 -24.546 -5.027 1.00 0.00 O ATOM 516 CB SER A 32 5.092 -23.988 -2.025 1.00 0.00 C ATOM 517 OG SER A 32 6.437 -24.432 -1.921 1.00 0.00 O ATOM 0 H SER A 32 2.965 -22.820 -2.581 1.00 0.00 H new ATOM 0 HA SER A 32 5.633 -22.520 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.863 -23.296 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.410 -24.833 -1.925 1.00 0.00 H new ATOM 0 HG SER A 32 6.571 -24.870 -1.055 1.00 0.00 H new ATOM 523 N THR A 33 3.951 -24.972 -4.868 1.00 0.00 N ATOM 524 CA THR A 33 4.026 -25.989 -5.955 1.00 0.00 C ATOM 525 C THR A 33 4.104 -25.282 -7.310 1.00 0.00 C ATOM 526 O THR A 33 3.790 -24.114 -7.431 1.00 0.00 O ATOM 527 CB THR A 33 2.777 -26.872 -5.913 1.00 0.00 C ATOM 528 OG1 THR A 33 1.651 -26.119 -6.339 1.00 0.00 O ATOM 529 CG2 THR A 33 2.550 -27.371 -4.485 1.00 0.00 C ATOM 0 H THR A 33 3.024 -24.835 -4.464 1.00 0.00 H new ATOM 0 HA THR A 33 4.913 -26.606 -5.815 1.00 0.00 H new ATOM 0 HB THR A 33 2.914 -27.726 -6.576 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.382 -25.501 -5.627 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.660 -28.000 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.414 -27.950 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.414 -26.519 -3.819 1.00 0.00 H new ATOM 537 N ASN A 34 4.522 -25.980 -8.330 1.00 0.00 N ATOM 538 CA ASN A 34 4.620 -25.348 -9.676 1.00 0.00 C ATOM 539 C ASN A 34 3.261 -24.762 -10.064 1.00 0.00 C ATOM 540 O ASN A 34 3.177 -23.724 -10.690 1.00 0.00 O ATOM 541 CB ASN A 34 5.034 -26.402 -10.705 1.00 0.00 C ATOM 542 CG ASN A 34 5.300 -25.724 -12.052 1.00 0.00 C ATOM 543 OD1 ASN A 34 4.488 -25.799 -12.952 1.00 0.00 O ATOM 544 ND2 ASN A 34 6.410 -25.062 -12.227 1.00 0.00 N ATOM 0 H ASN A 34 4.800 -26.961 -8.290 1.00 0.00 H new ATOM 0 HA ASN A 34 5.365 -24.553 -9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.928 -26.925 -10.366 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.248 -27.150 -10.811 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.597 -24.607 -13.120 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.091 -25.000 -11.470 1.00 0.00 H new ATOM 551 N SER A 35 2.195 -25.420 -9.697 1.00 0.00 N ATOM 552 CA SER A 35 0.843 -24.902 -10.045 1.00 0.00 C ATOM 553 C SER A 35 0.606 -23.570 -9.331 1.00 0.00 C ATOM 554 O SER A 35 1.239 -23.264 -8.340 1.00 0.00 O ATOM 555 CB SER A 35 -0.218 -25.912 -9.605 1.00 0.00 C ATOM 556 OG SER A 35 -0.361 -25.862 -8.193 1.00 0.00 O ATOM 0 H SER A 35 2.203 -26.294 -9.171 1.00 0.00 H new ATOM 0 HA SER A 35 0.778 -24.752 -11.123 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.170 -25.688 -10.086 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.069 -26.916 -9.917 1.00 0.00 H new ATOM 0 HG SER A 35 0.517 -25.967 -7.771 1.00 0.00 H new ATOM 562 N LYS A 36 -0.303 -22.776 -9.826 1.00 0.00 N ATOM 563 CA LYS A 36 -0.583 -21.464 -9.175 1.00 0.00 C ATOM 564 C LYS A 36 -1.981 -21.493 -8.555 1.00 0.00 C ATOM 565 O LYS A 36 -2.884 -22.126 -9.066 1.00 0.00 O ATOM 566 CB LYS A 36 -0.511 -20.349 -10.219 1.00 0.00 C ATOM 567 CG LYS A 36 0.904 -20.279 -10.797 1.00 0.00 C ATOM 568 CD LYS A 36 1.001 -19.101 -11.767 1.00 0.00 C ATOM 569 CE LYS A 36 2.379 -19.100 -12.434 1.00 0.00 C ATOM 570 NZ LYS A 36 3.386 -18.533 -11.493 1.00 0.00 N ATOM 0 H LYS A 36 -0.864 -22.978 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 36 0.157 -21.279 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.231 -20.535 -11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.777 -19.394 -9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.631 -20.163 -9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.144 -21.209 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.219 -19.174 -12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.843 -18.163 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.659 -20.115 -12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.351 -18.511 -13.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.322 -18.532 -11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.120 -17.558 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.419 -19.112 -10.630 1.00 0.00 H new ATOM 584 N VAL A 37 -2.168 -20.814 -7.457 1.00 0.00 N ATOM 585 CA VAL A 37 -3.509 -20.805 -6.808 1.00 0.00 C ATOM 586 C VAL A 37 -4.043 -19.372 -6.761 1.00 0.00 C ATOM 587 O VAL A 37 -3.295 -18.424 -6.633 1.00 0.00 O ATOM 588 CB VAL A 37 -3.390 -21.353 -5.383 1.00 0.00 C ATOM 589 CG1 VAL A 37 -2.308 -20.578 -4.628 1.00 0.00 C ATOM 590 CG2 VAL A 37 -4.730 -21.194 -4.661 1.00 0.00 C ATOM 0 H VAL A 37 -1.451 -20.266 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.194 -21.429 -7.381 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.122 -22.409 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.223 -20.967 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.353 -20.692 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.576 -19.522 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.645 -21.584 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.000 -20.139 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.501 -21.746 -5.199 1.00 0.00 H new ATOM 600 N SER A 38 -5.333 -19.207 -6.864 1.00 0.00 N ATOM 601 CA SER A 38 -5.914 -17.836 -6.827 1.00 0.00 C ATOM 602 C SER A 38 -6.978 -17.760 -5.731 1.00 0.00 C ATOM 603 O SER A 38 -7.723 -18.695 -5.509 1.00 0.00 O ATOM 604 CB SER A 38 -6.552 -17.515 -8.179 1.00 0.00 C ATOM 605 OG SER A 38 -6.922 -16.145 -8.215 1.00 0.00 O ATOM 0 H SER A 38 -6.010 -19.963 -6.972 1.00 0.00 H new ATOM 0 HA SER A 38 -5.125 -17.114 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.852 -17.735 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.428 -18.144 -8.338 1.00 0.00 H new ATOM 0 HG SER A 38 -7.329 -15.939 -9.082 1.00 0.00 H new ATOM 611 N GLY A 39 -7.057 -16.655 -5.042 1.00 0.00 N ATOM 612 CA GLY A 39 -8.074 -16.520 -3.961 1.00 0.00 C ATOM 613 C GLY A 39 -7.385 -16.090 -2.663 1.00 0.00 C ATOM 614 O GLY A 39 -6.369 -15.425 -2.681 1.00 0.00 O ATOM 0 H GLY A 39 -6.461 -15.839 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.828 -15.786 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.592 -17.468 -3.814 1.00 0.00 H new ATOM 618 N PRO A 40 -7.956 -16.484 -1.516 1.00 0.00 N ATOM 619 CA PRO A 40 -9.185 -17.289 -1.476 1.00 0.00 C ATOM 620 C PRO A 40 -10.407 -16.483 -1.925 1.00 0.00 C ATOM 621 O PRO A 40 -10.497 -15.294 -1.696 1.00 0.00 O ATOM 622 CB PRO A 40 -9.319 -17.662 0.000 1.00 0.00 C ATOM 623 CG PRO A 40 -8.583 -16.589 0.728 1.00 0.00 C ATOM 624 CD PRO A 40 -7.450 -16.174 -0.168 1.00 0.00 C ATOM 0 HA PRO A 40 -9.134 -18.149 -2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.365 -17.703 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.890 -18.644 0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.238 -15.745 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.209 -16.954 1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.218 -15.115 -0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.537 -16.725 0.056 1.00 0.00 H new ATOM 632 N ILE A 41 -11.350 -17.123 -2.561 1.00 0.00 N ATOM 633 CA ILE A 41 -12.565 -16.394 -3.022 1.00 0.00 C ATOM 634 C ILE A 41 -13.671 -16.533 -1.972 1.00 0.00 C ATOM 635 O ILE A 41 -14.019 -17.624 -1.567 1.00 0.00 O ATOM 636 CB ILE A 41 -13.043 -16.988 -4.348 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.876 -17.036 -5.337 1.00 0.00 C ATOM 638 CG2 ILE A 41 -14.164 -16.119 -4.921 1.00 0.00 C ATOM 639 CD1 ILE A 41 -12.018 -18.267 -6.233 1.00 0.00 C ATOM 0 H ILE A 41 -11.331 -18.119 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.326 -15.340 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.417 -17.998 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.862 -16.131 -5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.929 -17.073 -4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.505 -16.542 -5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.995 -16.087 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.791 -15.109 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.187 -18.302 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.011 -19.167 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.958 -18.211 -6.782 1.00 0.00 H new ATOM 651 N PRO A 42 -14.229 -15.399 -1.527 1.00 0.00 N ATOM 652 CA PRO A 42 -15.298 -15.385 -0.521 1.00 0.00 C ATOM 653 C PRO A 42 -16.616 -15.928 -1.084 1.00 0.00 C ATOM 654 O PRO A 42 -16.969 -15.674 -2.218 1.00 0.00 O ATOM 655 CB PRO A 42 -15.449 -13.902 -0.179 1.00 0.00 C ATOM 656 CG PRO A 42 -14.952 -13.185 -1.389 1.00 0.00 C ATOM 657 CD PRO A 42 -13.862 -14.042 -1.968 1.00 0.00 C ATOM 0 HA PRO A 42 -15.059 -16.013 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.487 -13.648 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.868 -13.638 0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.755 -13.037 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.573 -12.197 -1.127 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.826 -13.968 -3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.880 -13.750 -1.596 1.00 0.00 H new ATOM 665 N LEU A 43 -17.343 -16.674 -0.299 1.00 0.00 N ATOM 666 CA LEU A 43 -18.635 -17.233 -0.788 1.00 0.00 C ATOM 667 C LEU A 43 -19.753 -16.863 0.189 1.00 0.00 C ATOM 668 O LEU A 43 -19.511 -16.301 1.238 1.00 0.00 O ATOM 669 CB LEU A 43 -18.526 -18.756 -0.885 1.00 0.00 C ATOM 670 CG LEU A 43 -18.471 -19.172 -2.357 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.011 -19.263 -2.806 1.00 0.00 C ATOM 672 CD2 LEU A 43 -19.142 -20.536 -2.527 1.00 0.00 C ATOM 0 H LEU A 43 -17.098 -16.921 0.660 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.861 -16.821 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.632 -19.101 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.380 -19.224 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.993 -18.432 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -16.970 -19.559 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.532 -18.292 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.489 -20.003 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -19.103 -20.833 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -18.620 -21.276 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -20.182 -20.472 -2.206 1.00 0.00 H new ATOM 684 N PRO A 44 -21.004 -17.191 -0.169 1.00 0.00 N ATOM 685 CA PRO A 44 -22.170 -16.897 0.673 1.00 0.00 C ATOM 686 C PRO A 44 -22.184 -17.754 1.942 1.00 0.00 C ATOM 687 O PRO A 44 -21.862 -18.925 1.915 1.00 0.00 O ATOM 688 CB PRO A 44 -23.357 -17.263 -0.219 1.00 0.00 C ATOM 689 CG PRO A 44 -22.809 -18.264 -1.179 1.00 0.00 C ATOM 690 CD PRO A 44 -21.379 -17.871 -1.420 1.00 0.00 C ATOM 0 HA PRO A 44 -22.179 -15.861 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.178 -17.681 0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.748 -16.388 -0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.872 -19.272 -0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.376 -18.262 -2.110 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.749 -18.740 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.282 -17.211 -2.282 1.00 0.00 H new ATOM 698 N THR A 45 -22.551 -17.177 3.054 1.00 0.00 N ATOM 699 CA THR A 45 -22.582 -17.958 4.323 1.00 0.00 C ATOM 700 C THR A 45 -23.935 -18.659 4.461 1.00 0.00 C ATOM 701 O THR A 45 -24.916 -18.263 3.862 1.00 0.00 O ATOM 702 CB THR A 45 -22.375 -17.011 5.508 1.00 0.00 C ATOM 703 OG1 THR A 45 -23.544 -16.226 5.694 1.00 0.00 O ATOM 704 CG2 THR A 45 -21.181 -16.096 5.229 1.00 0.00 C ATOM 0 H THR A 45 -22.830 -16.200 3.138 1.00 0.00 H new ATOM 0 HA THR A 45 -21.788 -18.704 4.309 1.00 0.00 H new ATOM 0 HB THR A 45 -22.181 -17.592 6.409 1.00 0.00 H new ATOM 0 HG1 THR A 45 -23.414 -15.620 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 45 -21.034 -15.422 6.073 1.00 0.00 H new ATOM 0 HG22 THR A 45 -20.285 -16.700 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.372 -15.513 4.328 1.00 0.00 H new ATOM 762 N VAL A 49 -22.698 -20.086 8.767 1.00 0.00 N ATOM 763 CA VAL A 49 -21.495 -20.836 8.313 1.00 0.00 C ATOM 764 C VAL A 49 -20.808 -20.062 7.186 1.00 0.00 C ATOM 765 O VAL A 49 -21.450 -19.559 6.285 1.00 0.00 O ATOM 766 CB VAL A 49 -21.915 -22.216 7.802 1.00 0.00 C ATOM 767 CG1 VAL A 49 -20.673 -23.002 7.375 1.00 0.00 C ATOM 768 CG2 VAL A 49 -22.640 -22.973 8.914 1.00 0.00 C ATOM 0 HA VAL A 49 -20.804 -20.954 9.148 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.582 -22.099 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -20.972 -23.985 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.156 -22.463 6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.005 -23.119 8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -22.939 -23.956 8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -21.974 -23.090 9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.525 -22.414 9.218 1.00 0.00 H new ATOM 778 N HIS A 50 -19.507 -19.963 7.227 1.00 0.00 N ATOM 779 CA HIS A 50 -18.783 -19.220 6.157 1.00 0.00 C ATOM 780 C HIS A 50 -18.109 -20.216 5.211 1.00 0.00 C ATOM 781 O HIS A 50 -17.649 -21.263 5.621 1.00 0.00 O ATOM 782 CB HIS A 50 -17.723 -18.320 6.790 1.00 0.00 C ATOM 783 CG HIS A 50 -18.387 -17.331 7.708 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.010 -16.189 7.235 1.00 0.00 N ATOM 785 CD2 HIS A 50 -18.534 -17.301 9.072 1.00 0.00 C ATOM 786 CE1 HIS A 50 -19.500 -15.523 8.298 1.00 0.00 C ATOM 787 NE2 HIS A 50 -19.236 -16.159 9.442 1.00 0.00 N ATOM 0 H HIS A 50 -18.915 -20.364 7.954 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.490 -18.609 5.596 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.004 -18.922 7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.166 -17.795 6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.161 -18.050 9.754 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.040 -14.590 8.233 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -19.494 -15.869 10.385 1.00 0.00 H new ATOM 795 N LYS A 51 -18.048 -19.898 3.947 1.00 0.00 N ATOM 796 CA LYS A 51 -17.404 -20.827 2.976 1.00 0.00 C ATOM 797 C LYS A 51 -16.536 -20.027 2.004 1.00 0.00 C ATOM 798 O LYS A 51 -16.879 -18.931 1.605 1.00 0.00 O ATOM 799 CB LYS A 51 -18.485 -21.577 2.195 1.00 0.00 C ATOM 800 CG LYS A 51 -19.348 -22.384 3.168 1.00 0.00 C ATOM 801 CD LYS A 51 -20.240 -23.347 2.382 1.00 0.00 C ATOM 802 CE LYS A 51 -21.225 -22.548 1.527 1.00 0.00 C ATOM 803 NZ LYS A 51 -22.446 -22.246 2.327 1.00 0.00 N ATOM 0 H LYS A 51 -18.416 -19.036 3.545 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.782 -21.542 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.105 -20.872 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.026 -22.241 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.713 -22.940 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.961 -21.713 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.629 -23.989 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.782 -23.999 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.761 -21.622 1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.492 -23.115 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.116 -21.703 1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.892 -23.136 2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.183 -21.689 3.165 1.00 0.00 H new ATOM 817 N ARG A 52 -15.411 -20.565 1.618 1.00 0.00 N ATOM 818 CA ARG A 52 -14.521 -19.835 0.673 1.00 0.00 C ATOM 819 C ARG A 52 -14.161 -20.753 -0.498 1.00 0.00 C ATOM 820 O ARG A 52 -14.152 -21.961 -0.373 1.00 0.00 O ATOM 821 CB ARG A 52 -13.243 -19.410 1.399 1.00 0.00 C ATOM 822 CG ARG A 52 -13.595 -18.420 2.511 1.00 0.00 C ATOM 823 CD ARG A 52 -12.310 -17.904 3.160 1.00 0.00 C ATOM 824 NE ARG A 52 -11.725 -16.824 2.317 1.00 0.00 N ATOM 825 CZ ARG A 52 -12.400 -15.729 2.098 1.00 0.00 C ATOM 826 NH1 ARG A 52 -13.440 -15.444 2.835 1.00 0.00 N ATOM 827 NH2 ARG A 52 -12.036 -14.918 1.142 1.00 0.00 N ATOM 0 H ARG A 52 -15.070 -21.479 1.917 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.036 -18.950 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.743 -20.283 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.548 -18.952 0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.169 -17.588 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.223 -18.904 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.522 -17.525 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.595 -18.719 3.273 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.797 -16.941 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.725 -16.077 3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.967 -14.588 2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.224 -15.140 0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.564 -14.062 0.971 1.00 0.00 H new ATOM 841 N LEU A 53 -13.866 -20.188 -1.637 1.00 0.00 N ATOM 842 CA LEU A 53 -13.508 -21.028 -2.814 1.00 0.00 C ATOM 843 C LEU A 53 -12.135 -20.609 -3.342 1.00 0.00 C ATOM 844 O LEU A 53 -11.885 -19.449 -3.598 1.00 0.00 O ATOM 845 CB LEU A 53 -14.560 -20.839 -3.911 1.00 0.00 C ATOM 846 CG LEU A 53 -14.325 -21.853 -5.036 1.00 0.00 C ATOM 847 CD1 LEU A 53 -13.091 -21.445 -5.843 1.00 0.00 C ATOM 848 CD2 LEU A 53 -14.105 -23.243 -4.436 1.00 0.00 C ATOM 0 H LEU A 53 -13.858 -19.182 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.476 -22.077 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.559 -20.968 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.508 -19.825 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.196 -21.875 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.924 -22.167 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.248 -20.456 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.220 -21.421 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.938 -23.963 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.235 -23.222 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.985 -23.535 -3.863 1.00 0.00 H new ATOM 860 N ILE A 54 -11.242 -21.547 -3.507 1.00 0.00 N ATOM 861 CA ILE A 54 -9.885 -21.202 -4.019 1.00 0.00 C ATOM 862 C ILE A 54 -9.713 -21.775 -5.427 1.00 0.00 C ATOM 863 O ILE A 54 -9.941 -22.944 -5.664 1.00 0.00 O ATOM 864 CB ILE A 54 -8.824 -21.797 -3.092 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.048 -21.292 -1.666 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.434 -21.373 -3.570 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.072 -21.991 -0.717 1.00 0.00 C ATOM 0 H ILE A 54 -11.393 -22.536 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.772 -20.118 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.899 -22.884 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.902 -20.213 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.075 -21.487 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.677 -21.797 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.273 -21.734 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.360 -20.286 -3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.232 -21.631 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.239 -23.068 -0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.049 -21.773 -1.022 1.00 0.00 H new ATOM 879 N ASP A 55 -9.310 -20.961 -6.364 1.00 0.00 N ATOM 880 CA ASP A 55 -9.124 -21.461 -7.754 1.00 0.00 C ATOM 881 C ASP A 55 -7.671 -21.898 -7.950 1.00 0.00 C ATOM 882 O ASP A 55 -6.754 -21.283 -7.441 1.00 0.00 O ATOM 883 CB ASP A 55 -9.458 -20.345 -8.746 1.00 0.00 C ATOM 884 CG ASP A 55 -10.949 -20.010 -8.655 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.676 -20.794 -8.068 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.336 -18.976 -9.174 1.00 0.00 O ATOM 0 H ASP A 55 -9.102 -19.972 -6.226 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.785 -22.311 -7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.861 -19.459 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.206 -20.657 -9.759 1.00 0.00 H new ATOM 891 N ILE A 56 -7.453 -22.955 -8.682 1.00 0.00 N ATOM 892 CA ILE A 56 -6.059 -23.430 -8.909 1.00 0.00 C ATOM 893 C ILE A 56 -5.755 -23.419 -10.409 1.00 0.00 C ATOM 894 O ILE A 56 -6.526 -23.905 -11.212 1.00 0.00 O ATOM 895 CB ILE A 56 -5.912 -24.855 -8.370 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.247 -24.874 -6.878 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.472 -25.330 -8.575 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.141 -26.306 -6.350 1.00 0.00 C ATOM 0 H ILE A 56 -8.180 -23.511 -9.133 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.361 -22.771 -8.391 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.594 -25.517 -8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.564 -24.222 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.254 -24.489 -6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.366 -26.345 -8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.232 -25.317 -9.638 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.791 -24.667 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.380 -26.320 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.842 -26.945 -6.888 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.126 -26.675 -6.499 1.00 0.00 H new ATOM 910 N ILE A 57 -4.636 -22.868 -10.792 1.00 0.00 N ATOM 911 CA ILE A 57 -4.283 -22.827 -12.240 1.00 0.00 C ATOM 912 C ILE A 57 -3.115 -23.777 -12.507 1.00 0.00 C ATOM 913 O ILE A 57 -2.176 -23.855 -11.740 1.00 0.00 O ATOM 914 CB ILE A 57 -3.881 -21.402 -12.625 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.017 -20.438 -12.277 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.604 -21.341 -14.129 1.00 0.00 C ATOM 917 CD1 ILE A 57 -4.561 -18.999 -12.530 1.00 0.00 C ATOM 0 H ILE A 57 -3.951 -22.445 -10.166 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.144 -23.135 -12.834 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.983 -21.117 -12.076 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.897 -20.663 -12.880 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.306 -20.561 -11.233 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.317 -20.326 -14.405 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.795 -22.027 -14.378 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.503 -21.626 -14.676 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.370 -18.312 -12.282 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.694 -18.778 -11.908 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.294 -18.881 -13.580 1.00 0.00 H new ATOM 929 N ASP A 58 -3.165 -24.502 -13.591 1.00 0.00 N ATOM 930 CA ASP A 58 -2.056 -25.446 -13.907 1.00 0.00 C ATOM 931 C ASP A 58 -1.729 -26.281 -12.668 1.00 0.00 C ATOM 932 O ASP A 58 -0.629 -26.245 -12.156 1.00 0.00 O ATOM 933 CB ASP A 58 -0.816 -24.656 -14.330 1.00 0.00 C ATOM 934 CG ASP A 58 0.266 -25.624 -14.811 1.00 0.00 C ATOM 935 OD1 ASP A 58 0.017 -26.330 -15.775 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.326 -25.643 -14.207 1.00 0.00 O ATOM 0 H ASP A 58 -3.925 -24.481 -14.271 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.361 -26.105 -14.720 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.072 -23.956 -15.125 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.445 -24.066 -13.492 1.00 0.00 H new ATOM 941 N PRO A 59 -2.714 -27.050 -12.179 1.00 0.00 N ATOM 942 CA PRO A 59 -2.542 -27.902 -10.995 1.00 0.00 C ATOM 943 C PRO A 59 -1.622 -29.092 -11.281 1.00 0.00 C ATOM 944 O PRO A 59 -1.634 -29.653 -12.358 1.00 0.00 O ATOM 945 CB PRO A 59 -3.959 -28.395 -10.702 1.00 0.00 C ATOM 946 CG PRO A 59 -4.663 -28.321 -12.015 1.00 0.00 C ATOM 947 CD PRO A 59 -4.072 -27.147 -12.743 1.00 0.00 C ATOM 0 HA PRO A 59 -2.083 -27.364 -10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.952 -29.413 -10.313 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.449 -27.772 -9.954 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.525 -29.241 -12.583 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.736 -28.192 -11.874 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.050 -27.311 -13.820 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.646 -26.236 -12.571 1.00 0.00 H new ATOM 955 N SER A 60 -0.825 -29.480 -10.324 1.00 0.00 N ATOM 956 CA SER A 60 0.095 -30.632 -10.542 1.00 0.00 C ATOM 957 C SER A 60 -0.117 -31.670 -9.436 1.00 0.00 C ATOM 958 O SER A 60 -0.794 -31.419 -8.458 1.00 0.00 O ATOM 959 CB SER A 60 1.544 -30.142 -10.510 1.00 0.00 C ATOM 960 OG SER A 60 1.570 -28.733 -10.689 1.00 0.00 O ATOM 0 H SER A 60 -0.771 -29.050 -9.401 1.00 0.00 H new ATOM 0 HA SER A 60 -0.114 -31.085 -11.511 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.008 -30.408 -9.560 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.122 -30.630 -11.295 1.00 0.00 H new ATOM 0 HG SER A 60 2.498 -28.418 -10.667 1.00 0.00 H new ATOM 966 N PRO A 61 0.478 -32.860 -9.600 1.00 0.00 N ATOM 967 CA PRO A 61 0.360 -33.948 -8.621 1.00 0.00 C ATOM 968 C PRO A 61 1.078 -33.612 -7.311 1.00 0.00 C ATOM 969 O PRO A 61 0.743 -34.120 -6.260 1.00 0.00 O ATOM 970 CB PRO A 61 1.047 -35.126 -9.312 1.00 0.00 C ATOM 971 CG PRO A 61 1.991 -34.494 -10.278 1.00 0.00 C ATOM 972 CD PRO A 61 1.316 -33.238 -10.751 1.00 0.00 C ATOM 0 HA PRO A 61 -0.677 -34.145 -8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.575 -35.754 -8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.325 -35.763 -9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.945 -34.269 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.201 -35.163 -11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.038 -32.460 -10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.718 -33.413 -11.646 1.00 0.00 H new ATOM 980 N LYS A 62 2.062 -32.756 -7.367 1.00 0.00 N ATOM 981 CA LYS A 62 2.795 -32.387 -6.126 1.00 0.00 C ATOM 982 C LYS A 62 1.851 -31.634 -5.186 1.00 0.00 C ATOM 983 O LYS A 62 2.057 -31.586 -3.989 1.00 0.00 O ATOM 984 CB LYS A 62 3.984 -31.491 -6.481 1.00 0.00 C ATOM 985 CG LYS A 62 4.970 -32.273 -7.350 1.00 0.00 C ATOM 986 CD LYS A 62 6.212 -31.419 -7.608 1.00 0.00 C ATOM 987 CE LYS A 62 7.147 -32.154 -8.572 1.00 0.00 C ATOM 988 NZ LYS A 62 8.516 -31.572 -8.477 1.00 0.00 N ATOM 0 H LYS A 62 2.388 -32.298 -8.218 1.00 0.00 H new ATOM 0 HA LYS A 62 3.157 -33.290 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.639 -30.604 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.478 -31.146 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.251 -33.202 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.501 -32.546 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.923 -30.456 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.727 -31.215 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.174 -33.216 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.774 -32.069 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.152 -32.071 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.483 -30.563 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.870 -31.675 -7.505 1.00 0.00 H new ATOM 1002 N THR A 63 0.814 -31.047 -5.720 1.00 0.00 N ATOM 1003 CA THR A 63 -0.144 -30.300 -4.857 1.00 0.00 C ATOM 1004 C THR A 63 -0.949 -31.294 -4.017 1.00 0.00 C ATOM 1005 O THR A 63 -1.186 -31.082 -2.845 1.00 0.00 O ATOM 1006 CB THR A 63 -1.095 -29.486 -5.736 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.340 -28.639 -6.591 1.00 0.00 O ATOM 1008 CG2 THR A 63 -2.011 -28.638 -4.852 1.00 0.00 C ATOM 0 H THR A 63 0.590 -31.053 -6.715 1.00 0.00 H new ATOM 0 HA THR A 63 0.405 -29.627 -4.199 1.00 0.00 H new ATOM 0 HB THR A 63 -1.701 -30.162 -6.338 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.948 -28.118 -7.156 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.688 -28.059 -5.480 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.591 -29.290 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.408 -27.961 -4.247 1.00 0.00 H new ATOM 1016 N ILE A 64 -1.368 -32.380 -4.609 1.00 0.00 N ATOM 1017 CA ILE A 64 -2.154 -33.388 -3.845 1.00 0.00 C ATOM 1018 C ILE A 64 -1.267 -34.012 -2.766 1.00 0.00 C ATOM 1019 O ILE A 64 -1.689 -34.225 -1.647 1.00 0.00 O ATOM 1020 CB ILE A 64 -2.645 -34.480 -4.797 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -3.507 -33.851 -5.894 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -3.476 -35.501 -4.018 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.822 -34.902 -6.961 1.00 0.00 C ATOM 0 H ILE A 64 -1.200 -32.612 -5.588 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.011 -32.903 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.788 -34.979 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.432 -33.462 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.984 -33.007 -6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.826 -36.279 -4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.862 -35.950 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.333 -35.003 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.436 -34.454 -7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.892 -35.269 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.362 -35.732 -6.506 1.00 0.00 H new ATOM 1035 N ASP A 65 -0.038 -34.307 -3.094 1.00 0.00 N ATOM 1036 CA ASP A 65 0.876 -34.915 -2.087 1.00 0.00 C ATOM 1037 C ASP A 65 1.008 -33.975 -0.888 1.00 0.00 C ATOM 1038 O ASP A 65 1.032 -34.403 0.249 1.00 0.00 O ATOM 1039 CB ASP A 65 2.254 -35.136 -2.716 1.00 0.00 C ATOM 1040 CG ASP A 65 2.152 -36.209 -3.802 1.00 0.00 C ATOM 1041 OD1 ASP A 65 1.126 -36.866 -3.865 1.00 0.00 O ATOM 1042 OD2 ASP A 65 3.103 -36.355 -4.553 1.00 0.00 O ATOM 0 H ASP A 65 0.372 -34.153 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 65 0.470 -35.871 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.624 -34.204 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.969 -35.443 -1.953 1.00 0.00 H new ATOM 1047 N ALA A 66 1.092 -32.696 -1.132 1.00 0.00 N ATOM 1048 CA ALA A 66 1.221 -31.729 -0.005 1.00 0.00 C ATOM 1049 C ALA A 66 -0.061 -31.744 0.829 1.00 0.00 C ATOM 1050 O ALA A 66 -0.025 -31.697 2.043 1.00 0.00 O ATOM 1051 CB ALA A 66 1.451 -30.323 -0.563 1.00 0.00 C ATOM 0 H ALA A 66 1.077 -32.279 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 66 2.066 -32.013 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.545 -29.616 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.365 -30.312 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.607 -30.038 -1.191 1.00 0.00 H new ATOM 1057 N LEU A 67 -1.196 -31.811 0.188 1.00 0.00 N ATOM 1058 CA LEU A 67 -2.479 -31.830 0.945 1.00 0.00 C ATOM 1059 C LEU A 67 -2.517 -33.060 1.853 1.00 0.00 C ATOM 1060 O LEU A 67 -2.958 -32.997 2.983 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.651 -31.885 -0.038 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.969 -31.868 0.739 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -5.458 -30.426 0.884 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -6.016 -32.689 -0.018 1.00 0.00 C ATOM 0 H LEU A 67 -1.290 -31.853 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.556 -30.928 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.608 -31.036 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.587 -32.787 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.814 -32.299 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.397 -30.414 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.712 -29.841 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.614 -29.994 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.956 -32.678 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.171 -32.258 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.668 -33.717 -0.121 1.00 0.00 H new ATOM 1076 N MET A 68 -2.057 -34.181 1.368 1.00 0.00 N ATOM 1077 CA MET A 68 -2.066 -35.414 2.204 1.00 0.00 C ATOM 1078 C MET A 68 -1.073 -35.255 3.357 1.00 0.00 C ATOM 1079 O MET A 68 -1.279 -35.762 4.442 1.00 0.00 O ATOM 1080 CB MET A 68 -1.664 -36.615 1.346 1.00 0.00 C ATOM 1081 CG MET A 68 -2.780 -36.925 0.347 1.00 0.00 C ATOM 1082 SD MET A 68 -2.372 -38.434 -0.565 1.00 0.00 S ATOM 1083 CE MET A 68 -0.820 -37.848 -1.290 1.00 0.00 C ATOM 0 H MET A 68 -1.675 -34.296 0.429 1.00 0.00 H new ATOM 0 HA MET A 68 -3.067 -35.574 2.606 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.736 -36.402 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.478 -37.482 1.980 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.728 -37.049 0.871 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.905 -36.092 -0.345 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.523 -38.513 -2.101 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.959 -36.840 -1.680 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.043 -37.838 -0.526 1.00 0.00 H new ATOM 1093 N ARG A 69 0.005 -34.554 3.131 1.00 0.00 N ATOM 1094 CA ARG A 69 1.010 -34.362 4.213 1.00 0.00 C ATOM 1095 C ARG A 69 0.465 -33.374 5.246 1.00 0.00 C ATOM 1096 O ARG A 69 0.794 -33.437 6.413 1.00 0.00 O ATOM 1097 CB ARG A 69 2.306 -33.811 3.614 1.00 0.00 C ATOM 1098 CG ARG A 69 2.921 -34.857 2.682 1.00 0.00 C ATOM 1099 CD ARG A 69 4.243 -34.327 2.122 1.00 0.00 C ATOM 1100 NE ARG A 69 4.711 -35.220 1.024 1.00 0.00 N ATOM 1101 CZ ARG A 69 5.531 -36.200 1.286 1.00 0.00 C ATOM 1102 NH1 ARG A 69 5.491 -36.793 2.448 1.00 0.00 N ATOM 1103 NH2 ARG A 69 6.393 -36.587 0.385 1.00 0.00 N ATOM 0 H ARG A 69 0.232 -34.106 2.243 1.00 0.00 H new ATOM 0 HA ARG A 69 1.211 -35.318 4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.103 -32.892 3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.008 -33.558 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.090 -35.788 3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.233 -35.083 1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.111 -33.312 1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.992 -34.281 2.912 1.00 0.00 H new ATOM 0 HE ARG A 69 4.390 -35.065 0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.818 -36.490 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.133 -37.559 2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.425 -36.123 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.035 -37.353 0.589 1.00 0.00 H new ATOM 1117 N ILE A 70 -0.367 -32.461 4.825 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.932 -31.469 5.783 1.00 0.00 C ATOM 1119 C ILE A 70 -2.407 -31.787 6.036 1.00 0.00 C ATOM 1120 O ILE A 70 -3.163 -32.042 5.120 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.807 -30.063 5.194 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.656 -29.783 4.849 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.296 -29.036 6.217 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.758 -28.446 4.112 1.00 0.00 C ATOM 0 H ILE A 70 -0.680 -32.359 3.860 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.383 -31.519 6.723 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.413 -29.992 4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.257 -29.756 5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.054 -30.585 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.207 -28.034 5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.339 -29.235 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.691 -29.106 7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.801 -28.245 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.170 -28.490 3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.376 -27.649 4.750 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.823 -31.775 7.273 1.00 0.00 N ATOM 1137 CA ASN A 71 -4.249 -32.076 7.584 1.00 0.00 C ATOM 1138 C ASN A 71 -4.935 -30.812 8.107 1.00 0.00 C ATOM 1139 O ASN A 71 -4.482 -30.195 9.051 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.318 -33.173 8.648 1.00 0.00 C ATOM 1141 CG ASN A 71 -5.761 -33.666 8.779 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -6.641 -33.197 8.084 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -6.043 -34.598 9.647 1.00 0.00 N ATOM 0 H ASN A 71 -2.237 -31.570 8.082 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.755 -32.415 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.663 -34.001 8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.965 -32.789 9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.002 -34.933 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.305 -34.992 10.230 1.00 0.00 H new ATOM 1150 N LEU A 72 -6.023 -30.421 7.504 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.736 -29.199 7.969 1.00 0.00 C ATOM 1152 C LEU A 72 -7.145 -29.374 9.433 1.00 0.00 C ATOM 1153 O LEU A 72 -7.374 -30.473 9.895 1.00 0.00 O ATOM 1154 CB LEU A 72 -7.985 -28.978 7.113 1.00 0.00 C ATOM 1155 CG LEU A 72 -8.710 -30.311 6.915 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -10.219 -30.095 7.056 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -8.402 -30.858 5.521 1.00 0.00 C ATOM 0 H LEU A 72 -6.450 -30.896 6.708 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.076 -28.336 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.647 -28.260 7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.707 -28.556 6.147 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.372 -31.024 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.737 -31.044 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.439 -29.705 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.556 -29.382 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.919 -31.807 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.740 -30.146 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.328 -31.011 5.419 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.237 -28.259 10.174 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.618 -28.278 11.592 1.00 0.00 C ATOM 1171 C PRO A 73 -9.091 -28.655 11.780 1.00 0.00 C ATOM 1172 O PRO A 73 -9.919 -28.408 10.926 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.386 -26.836 12.043 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.505 -26.028 10.795 1.00 0.00 C ATOM 1175 CD PRO A 73 -6.977 -26.894 9.686 1.00 0.00 C ATOM 0 HA PRO A 73 -7.048 -29.014 12.160 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.123 -26.529 12.786 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.404 -26.717 12.500 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.542 -25.747 10.610 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.933 -25.103 10.873 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.489 -26.699 8.744 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.914 -26.724 9.513 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.421 -29.252 12.893 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.838 -29.645 13.136 1.00 0.00 C ATOM 1185 C ALA A 74 -11.735 -28.411 13.028 1.00 0.00 C ATOM 1186 O ALA A 74 -11.322 -27.303 13.310 1.00 0.00 O ATOM 1187 CB ALA A 74 -10.966 -30.249 14.535 1.00 0.00 C ATOM 0 H ALA A 74 -8.771 -29.484 13.644 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.144 -30.382 12.393 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.002 -30.537 14.714 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.327 -31.129 14.611 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.661 -29.513 15.278 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.962 -28.592 12.621 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.884 -27.429 12.494 1.00 0.00 C ATOM 1195 C GLY A 75 -13.890 -26.933 11.046 1.00 0.00 C ATOM 1196 O GLY A 75 -14.622 -26.029 10.692 1.00 0.00 O ATOM 0 H GLY A 75 -13.365 -29.495 12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.892 -27.717 12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.569 -26.628 13.162 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.079 -27.514 10.205 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.041 -27.073 8.782 1.00 0.00 C ATOM 1202 C VAL A 76 -13.260 -28.280 7.867 1.00 0.00 C ATOM 1203 O VAL A 76 -12.876 -29.390 8.184 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.679 -26.444 8.479 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -11.673 -25.907 7.047 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.419 -25.297 9.456 1.00 0.00 C ATOM 0 H VAL A 76 -12.442 -28.274 10.441 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.827 -26.338 8.609 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.898 -27.197 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.703 -25.459 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.858 -26.725 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.453 -25.154 6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.449 -24.849 9.241 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.199 -24.543 9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.423 -25.680 10.476 1.00 0.00 H new ATOM 1216 N ASP A 77 -13.873 -28.075 6.734 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.115 -29.210 5.801 1.00 0.00 C ATOM 1218 C ASP A 77 -13.711 -28.801 4.383 1.00 0.00 C ATOM 1219 O ASP A 77 -13.719 -27.637 4.036 1.00 0.00 O ATOM 1220 CB ASP A 77 -15.601 -29.578 5.820 1.00 0.00 C ATOM 1221 CG ASP A 77 -15.845 -30.765 4.889 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -14.877 -31.401 4.504 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -16.997 -31.021 4.576 1.00 0.00 O ATOM 0 H ASP A 77 -14.217 -27.170 6.414 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.522 -30.070 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -15.911 -29.828 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.202 -28.725 5.504 1.00 0.00 H new