USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=13 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 45 THR OG1 : rot -110:sc= 0.341! USER MOD Set 1.2: A 50 HIS : no HD1:sc= -6.58! C(o=-6.2!,f=-17!) USER MOD Set 2.1: A 33 THR OG1 : rot -77:sc= 2.31 USER MOD Set 2.2: A 35 SER OG : rot -54:sc= 1.23 USER MOD Set 2.3: A 63 THR OG1 : rot -69:sc= 0.156 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.0107 (180deg=-0.479) 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= -0.371 K(o=-0.37,f=-1.7) USER MOD Single : A 22 SER OG : rot -120:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00317) 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= -0.0556 K(o=-0.056,f=-2.1!) USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00313) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -1.31 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -166:sc= -3.39! (180deg=-4.18!) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -6.342 -26.602 -17.251 1.00 0.00 N ATOM 46 CA GLN A 5 -7.327 -27.152 -16.277 1.00 0.00 C ATOM 47 C GLN A 5 -7.155 -26.451 -14.928 1.00 0.00 C ATOM 48 O GLN A 5 -6.057 -26.125 -14.522 1.00 0.00 O ATOM 49 CB GLN A 5 -7.090 -28.654 -16.106 1.00 0.00 C ATOM 50 CG GLN A 5 -7.360 -29.366 -17.432 1.00 0.00 C ATOM 51 CD GLN A 5 -7.098 -30.864 -17.270 1.00 0.00 C ATOM 52 OE1 GLN A 5 -6.449 -31.281 -16.331 1.00 0.00 O ATOM 53 NE2 GLN A 5 -7.580 -31.698 -18.151 1.00 0.00 N ATOM 0 HA GLN A 5 -8.338 -26.984 -16.647 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.065 -28.837 -15.785 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.743 -29.050 -15.328 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.391 -29.198 -17.744 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.720 -28.957 -18.214 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.125 -31.349 -18.939 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.412 -32.699 -18.051 1.00 0.00 H new ATOM 62 N LYS A 6 -8.232 -26.217 -14.229 1.00 0.00 N ATOM 63 CA LYS A 6 -8.130 -25.538 -12.907 1.00 0.00 C ATOM 64 C LYS A 6 -8.923 -26.329 -11.865 1.00 0.00 C ATOM 65 O LYS A 6 -9.890 -26.991 -12.179 1.00 0.00 O ATOM 66 CB LYS A 6 -8.701 -24.122 -13.015 1.00 0.00 C ATOM 67 CG LYS A 6 -10.197 -24.199 -13.328 1.00 0.00 C ATOM 68 CD LYS A 6 -10.730 -22.794 -13.618 1.00 0.00 C ATOM 69 CE LYS A 6 -12.260 -22.815 -13.596 1.00 0.00 C ATOM 70 NZ LYS A 6 -12.755 -23.883 -14.509 1.00 0.00 N ATOM 0 H LYS A 6 -9.178 -26.467 -14.517 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.084 -25.486 -12.605 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.541 -23.581 -12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.183 -23.568 -13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.367 -24.848 -14.187 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.734 -24.637 -12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.354 -22.090 -12.875 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.374 -22.452 -14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.617 -22.994 -12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.652 -21.846 -13.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.746 -23.692 -14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.175 -23.899 -15.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.691 -24.805 -14.032 1.00 0.00 H new ATOM 84 N ILE A 7 -8.520 -26.264 -10.625 1.00 0.00 N ATOM 85 CA ILE A 7 -9.251 -27.012 -9.564 1.00 0.00 C ATOM 86 C ILE A 7 -9.805 -26.025 -8.535 1.00 0.00 C ATOM 87 O ILE A 7 -9.154 -25.068 -8.167 1.00 0.00 O ATOM 88 CB ILE A 7 -8.293 -27.986 -8.874 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.762 -28.991 -9.898 1.00 0.00 C ATOM 90 CG2 ILE A 7 -9.036 -28.732 -7.765 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.707 -29.882 -9.238 1.00 0.00 C ATOM 0 H ILE A 7 -7.716 -25.725 -10.301 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.074 -27.569 -10.013 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.459 -27.432 -8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.579 -29.601 -10.283 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.329 -28.465 -10.749 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.354 -29.426 -7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.414 -28.016 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.870 -29.286 -8.195 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.328 -30.598 -9.967 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.885 -29.265 -8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.155 -30.418 -8.402 1.00 0.00 H new ATOM 103 N ARG A 8 -11.002 -26.250 -8.067 1.00 0.00 N ATOM 104 CA ARG A 8 -11.596 -25.324 -7.062 1.00 0.00 C ATOM 105 C ARG A 8 -11.884 -26.089 -5.769 1.00 0.00 C ATOM 106 O ARG A 8 -12.411 -27.183 -5.788 1.00 0.00 O ATOM 107 CB ARG A 8 -12.900 -24.743 -7.611 1.00 0.00 C ATOM 108 CG ARG A 8 -12.598 -23.894 -8.848 1.00 0.00 C ATOM 109 CD ARG A 8 -13.882 -23.208 -9.321 1.00 0.00 C ATOM 110 NE ARG A 8 -13.645 -22.569 -10.646 1.00 0.00 N ATOM 111 CZ ARG A 8 -14.621 -22.472 -11.507 1.00 0.00 C ATOM 112 NH1 ARG A 8 -14.951 -23.503 -12.237 1.00 0.00 N ATOM 113 NH2 ARG A 8 -15.265 -21.345 -11.639 1.00 0.00 N ATOM 0 H ARG A 8 -11.594 -27.035 -8.337 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.895 -24.515 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.589 -25.547 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.389 -24.135 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.839 -23.147 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.194 -24.521 -9.643 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.690 -23.936 -9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.195 -22.458 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.720 -22.208 -10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.446 -24.383 -12.134 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.714 -23.428 -12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.006 -20.540 -11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.028 -21.269 -12.312 1.00 0.00 H new ATOM 127 N ILE A 9 -11.541 -25.521 -4.645 1.00 0.00 N ATOM 128 CA ILE A 9 -11.796 -26.216 -3.351 1.00 0.00 C ATOM 129 C ILE A 9 -12.716 -25.355 -2.484 1.00 0.00 C ATOM 130 O ILE A 9 -12.542 -24.157 -2.377 1.00 0.00 O ATOM 131 CB ILE A 9 -10.469 -26.439 -2.623 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.524 -27.243 -3.519 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.722 -27.212 -1.327 1.00 0.00 C ATOM 134 CD1 ILE A 9 -8.159 -27.369 -2.837 1.00 0.00 C ATOM 0 H ILE A 9 -11.096 -24.607 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.272 -27.178 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.017 -25.475 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.940 -28.232 -3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.416 -26.751 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.777 -27.371 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.395 -26.641 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.174 -28.176 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.485 -27.942 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.743 -26.376 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.276 -27.880 -1.881 1.00 0.00 H new ATOM 146 N LYS A 10 -13.695 -25.955 -1.863 1.00 0.00 N ATOM 147 CA LYS A 10 -14.624 -25.169 -1.004 1.00 0.00 C ATOM 148 C LYS A 10 -14.414 -25.556 0.461 1.00 0.00 C ATOM 149 O LYS A 10 -14.390 -26.720 0.808 1.00 0.00 O ATOM 150 CB LYS A 10 -16.068 -25.467 -1.410 1.00 0.00 C ATOM 151 CG LYS A 10 -16.383 -24.758 -2.729 1.00 0.00 C ATOM 152 CD LYS A 10 -17.858 -24.960 -3.079 1.00 0.00 C ATOM 153 CE LYS A 10 -18.098 -24.543 -4.532 1.00 0.00 C ATOM 154 NZ LYS A 10 -19.560 -24.363 -4.761 1.00 0.00 N ATOM 0 H LYS A 10 -13.891 -26.955 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.424 -24.105 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.212 -26.542 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.753 -25.131 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.161 -23.694 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.752 -25.153 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.137 -26.004 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.486 -24.370 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.568 -23.615 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.703 -25.300 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.724 -24.080 -5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -20.054 -25.258 -4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.923 -23.625 -4.124 1.00 0.00 H new ATOM 168 N LEU A 11 -14.262 -24.589 1.323 1.00 0.00 N ATOM 169 CA LEU A 11 -14.053 -24.901 2.764 1.00 0.00 C ATOM 170 C LEU A 11 -15.265 -24.434 3.572 1.00 0.00 C ATOM 171 O LEU A 11 -15.785 -23.357 3.362 1.00 0.00 O ATOM 172 CB LEU A 11 -12.801 -24.178 3.264 1.00 0.00 C ATOM 173 CG LEU A 11 -11.653 -24.402 2.279 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.340 -23.933 2.909 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.553 -25.892 1.943 1.00 0.00 C ATOM 0 H LEU A 11 -14.274 -23.596 1.091 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.929 -25.977 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.002 -23.112 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.524 -24.548 4.251 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.841 -23.835 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.522 -24.093 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.410 -22.872 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.151 -24.500 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.735 -26.053 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.365 -26.459 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.488 -26.227 1.494 1.00 0.00 H new ATOM 187 N LYS A 12 -15.717 -25.236 4.498 1.00 0.00 N ATOM 188 CA LYS A 12 -16.894 -24.837 5.321 1.00 0.00 C ATOM 189 C LYS A 12 -16.505 -24.847 6.801 1.00 0.00 C ATOM 190 O LYS A 12 -15.751 -25.689 7.247 1.00 0.00 O ATOM 191 CB LYS A 12 -18.040 -25.823 5.089 1.00 0.00 C ATOM 192 CG LYS A 12 -18.309 -25.951 3.589 1.00 0.00 C ATOM 193 CD LYS A 12 -19.559 -26.804 3.366 1.00 0.00 C ATOM 194 CE LYS A 12 -19.847 -26.906 1.866 1.00 0.00 C ATOM 195 NZ LYS A 12 -20.033 -28.337 1.493 1.00 0.00 N ATOM 0 H LYS A 12 -15.322 -26.150 4.720 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.215 -23.836 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.786 -26.797 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.938 -25.480 5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.446 -24.964 3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.452 -26.406 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.413 -27.799 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.411 -26.361 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.741 -26.335 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.024 -26.474 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.229 -28.408 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.168 -28.869 1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.832 -28.734 2.027 1.00 0.00 H new ATOM 209 N ALA A 13 -17.011 -23.918 7.566 1.00 0.00 N ATOM 210 CA ALA A 13 -16.666 -23.879 9.014 1.00 0.00 C ATOM 211 C ALA A 13 -17.554 -22.859 9.728 1.00 0.00 C ATOM 212 O ALA A 13 -17.950 -21.860 9.159 1.00 0.00 O ATOM 213 CB ALA A 13 -15.197 -23.480 9.178 1.00 0.00 C ATOM 0 H ALA A 13 -17.647 -23.186 7.251 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.827 -24.865 9.450 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.944 -23.451 10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.563 -24.209 8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.036 -22.495 8.740 1.00 0.00 H new ATOM 219 N TYR A 14 -17.871 -23.103 10.969 1.00 0.00 N ATOM 220 CA TYR A 14 -18.732 -22.150 11.723 1.00 0.00 C ATOM 221 C TYR A 14 -18.084 -20.763 11.725 1.00 0.00 C ATOM 222 O TYR A 14 -18.723 -19.769 11.443 1.00 0.00 O ATOM 223 CB TYR A 14 -18.885 -22.640 13.164 1.00 0.00 C ATOM 224 CG TYR A 14 -20.089 -21.986 13.794 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.376 -22.399 13.432 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.919 -20.967 14.738 1.00 0.00 C ATOM 227 CE1 TYR A 14 -22.495 -21.793 14.016 1.00 0.00 C ATOM 228 CE2 TYR A 14 -21.037 -20.361 15.322 1.00 0.00 C ATOM 229 CZ TYR A 14 -22.325 -20.774 14.961 1.00 0.00 C ATOM 230 OH TYR A 14 -23.428 -20.176 15.536 1.00 0.00 O ATOM 0 H TYR A 14 -17.570 -23.924 11.495 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.711 -22.091 11.248 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.997 -23.724 13.180 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -17.988 -22.403 13.737 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.506 -23.185 12.703 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.925 -20.648 15.016 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.489 -22.111 13.738 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -20.906 -19.575 16.051 1.00 0.00 H new ATOM 0 HH TYR A 14 -23.134 -19.490 16.171 1.00 0.00 H new ATOM 240 N ASP A 15 -16.822 -20.690 12.043 1.00 0.00 N ATOM 241 CA ASP A 15 -16.134 -19.368 12.067 1.00 0.00 C ATOM 242 C ASP A 15 -15.549 -19.069 10.686 1.00 0.00 C ATOM 243 O ASP A 15 -14.833 -19.868 10.118 1.00 0.00 O ATOM 244 CB ASP A 15 -15.009 -19.400 13.100 1.00 0.00 C ATOM 245 CG ASP A 15 -15.605 -19.521 14.504 1.00 0.00 C ATOM 246 OD1 ASP A 15 -16.805 -19.342 14.633 1.00 0.00 O ATOM 247 OD2 ASP A 15 -14.852 -19.792 15.425 1.00 0.00 O ATOM 0 H ASP A 15 -16.236 -21.489 12.288 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.851 -18.591 12.332 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.344 -20.241 12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.408 -18.494 13.026 1.00 0.00 H new ATOM 252 N HIS A 16 -15.847 -17.921 10.142 1.00 0.00 N ATOM 253 CA HIS A 16 -15.304 -17.571 8.800 1.00 0.00 C ATOM 254 C HIS A 16 -13.824 -17.203 8.933 1.00 0.00 C ATOM 255 O HIS A 16 -13.025 -17.479 8.060 1.00 0.00 O ATOM 256 CB HIS A 16 -16.076 -16.380 8.229 1.00 0.00 C ATOM 257 CG HIS A 16 -15.802 -15.158 9.062 1.00 0.00 C ATOM 258 ND1 HIS A 16 -16.447 -14.924 10.266 1.00 0.00 N ATOM 259 CD2 HIS A 16 -14.955 -14.094 8.878 1.00 0.00 C ATOM 260 CE1 HIS A 16 -15.983 -13.760 10.755 1.00 0.00 C ATOM 261 NE2 HIS A 16 -15.070 -13.212 9.947 1.00 0.00 N ATOM 0 H HIS A 16 -16.442 -17.211 10.569 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.410 -18.425 8.131 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -15.779 -16.202 7.195 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -17.144 -16.596 8.221 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.298 -13.962 8.031 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.308 -13.322 11.687 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.566 -12.336 10.085 1.00 0.00 H new ATOM 269 N GLU A 17 -13.453 -16.586 10.022 1.00 0.00 N ATOM 270 CA GLU A 17 -12.027 -16.205 10.214 1.00 0.00 C ATOM 271 C GLU A 17 -11.151 -17.458 10.135 1.00 0.00 C ATOM 272 O GLU A 17 -10.091 -17.450 9.543 1.00 0.00 O ATOM 273 CB GLU A 17 -11.854 -15.547 11.585 1.00 0.00 C ATOM 274 CG GLU A 17 -10.425 -15.016 11.718 1.00 0.00 C ATOM 275 CD GLU A 17 -10.233 -14.414 13.112 1.00 0.00 C ATOM 276 OE1 GLU A 17 -11.179 -14.443 13.884 1.00 0.00 O ATOM 277 OE2 GLU A 17 -9.145 -13.934 13.385 1.00 0.00 O ATOM 0 H GLU A 17 -14.077 -16.330 10.787 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.730 -15.503 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.569 -14.732 11.702 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.061 -16.269 12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.709 -15.822 11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.233 -14.262 10.955 1.00 0.00 H new ATOM 284 N LEU A 18 -11.591 -18.535 10.726 1.00 0.00 N ATOM 285 CA LEU A 18 -10.785 -19.788 10.683 1.00 0.00 C ATOM 286 C LEU A 18 -10.647 -20.252 9.232 1.00 0.00 C ATOM 287 O LEU A 18 -9.583 -20.646 8.794 1.00 0.00 O ATOM 288 CB LEU A 18 -11.486 -20.873 11.502 1.00 0.00 C ATOM 289 CG LEU A 18 -10.557 -22.079 11.651 1.00 0.00 C ATOM 290 CD1 LEU A 18 -9.476 -21.766 12.688 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.369 -23.292 12.110 1.00 0.00 C ATOM 0 H LEU A 18 -12.472 -18.602 11.236 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.796 -19.601 11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.756 -20.485 12.484 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.412 -21.172 11.012 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.087 -22.297 10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.814 -22.625 12.794 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.898 -20.901 12.362 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.945 -21.548 13.648 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.709 -24.153 12.217 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.839 -23.074 13.069 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.139 -23.515 11.371 1.00 0.00 H new ATOM 303 N LEU A 19 -11.714 -20.208 8.481 1.00 0.00 N ATOM 304 CA LEU A 19 -11.642 -20.646 7.059 1.00 0.00 C ATOM 305 C LEU A 19 -10.527 -19.877 6.346 1.00 0.00 C ATOM 306 O LEU A 19 -9.785 -20.430 5.557 1.00 0.00 O ATOM 307 CB LEU A 19 -12.978 -20.360 6.370 1.00 0.00 C ATOM 308 CG LEU A 19 -14.063 -21.256 6.971 1.00 0.00 C ATOM 309 CD1 LEU A 19 -15.368 -21.067 6.195 1.00 0.00 C ATOM 310 CD2 LEU A 19 -13.624 -22.720 6.881 1.00 0.00 C ATOM 0 H LEU A 19 -12.631 -19.888 8.791 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.432 -21.715 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.247 -19.311 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.893 -20.542 5.299 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.219 -20.987 8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.141 -21.705 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.681 -20.025 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.212 -21.336 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.397 -23.359 7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.468 -22.990 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.694 -22.856 7.433 1.00 0.00 H new ATOM 322 N ASP A 20 -10.401 -18.608 6.618 1.00 0.00 N ATOM 323 CA ASP A 20 -9.333 -17.806 5.959 1.00 0.00 C ATOM 324 C ASP A 20 -7.962 -18.330 6.391 1.00 0.00 C ATOM 325 O ASP A 20 -7.026 -18.359 5.617 1.00 0.00 O ATOM 326 CB ASP A 20 -9.470 -16.338 6.366 1.00 0.00 C ATOM 327 CG ASP A 20 -8.529 -15.483 5.517 1.00 0.00 C ATOM 328 OD1 ASP A 20 -7.928 -16.024 4.604 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.425 -14.298 5.793 1.00 0.00 O ATOM 0 H ASP A 20 -10.992 -18.091 7.269 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.431 -17.892 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.500 -16.007 6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.232 -16.219 7.423 1.00 0.00 H new ATOM 334 N GLU A 21 -7.836 -18.744 7.622 1.00 0.00 N ATOM 335 CA GLU A 21 -6.527 -19.265 8.102 1.00 0.00 C ATOM 336 C GLU A 21 -6.245 -20.617 7.443 1.00 0.00 C ATOM 337 O GLU A 21 -5.126 -20.918 7.075 1.00 0.00 O ATOM 338 CB GLU A 21 -6.572 -19.439 9.621 1.00 0.00 C ATOM 339 CG GLU A 21 -6.713 -18.069 10.287 1.00 0.00 C ATOM 340 CD GLU A 21 -5.507 -17.200 9.927 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.519 -17.752 9.471 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.591 -15.997 10.113 1.00 0.00 O ATOM 0 H GLU A 21 -8.584 -18.744 8.316 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.738 -18.560 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.409 -20.079 9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.664 -19.932 9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.633 -17.586 9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.782 -18.184 11.369 1.00 0.00 H new ATOM 349 N SER A 22 -7.250 -21.433 7.288 1.00 0.00 N ATOM 350 CA SER A 22 -7.039 -22.764 6.652 1.00 0.00 C ATOM 351 C SER A 22 -6.736 -22.574 5.165 1.00 0.00 C ATOM 352 O SER A 22 -5.869 -23.219 4.610 1.00 0.00 O ATOM 353 CB SER A 22 -8.302 -23.612 6.811 1.00 0.00 C ATOM 354 OG SER A 22 -8.056 -24.924 6.326 1.00 0.00 O ATOM 0 H SER A 22 -8.209 -21.236 7.574 1.00 0.00 H new ATOM 0 HA SER A 22 -6.201 -23.268 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.598 -23.650 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.128 -23.159 6.263 1.00 0.00 H new ATOM 0 HG SER A 22 -8.675 -25.123 5.593 1.00 0.00 H new ATOM 360 N ALA A 23 -7.444 -21.691 4.514 1.00 0.00 N ATOM 361 CA ALA A 23 -7.195 -21.459 3.064 1.00 0.00 C ATOM 362 C ALA A 23 -5.825 -20.803 2.880 1.00 0.00 C ATOM 363 O ALA A 23 -5.102 -21.101 1.951 1.00 0.00 O ATOM 364 CB ALA A 23 -8.281 -20.541 2.500 1.00 0.00 C ATOM 0 H ALA A 23 -8.184 -21.121 4.924 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.215 -22.412 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.099 -20.371 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.257 -21.009 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.262 -19.588 3.028 1.00 0.00 H new ATOM 370 N LYS A 24 -5.464 -19.910 3.760 1.00 0.00 N ATOM 371 CA LYS A 24 -4.142 -19.235 3.638 1.00 0.00 C ATOM 372 C LYS A 24 -3.026 -20.277 3.728 1.00 0.00 C ATOM 373 O LYS A 24 -2.107 -20.287 2.934 1.00 0.00 O ATOM 374 CB LYS A 24 -3.982 -18.217 4.769 1.00 0.00 C ATOM 375 CG LYS A 24 -2.705 -17.404 4.548 1.00 0.00 C ATOM 376 CD LYS A 24 -2.524 -16.416 5.703 1.00 0.00 C ATOM 377 CE LYS A 24 -1.340 -15.495 5.405 1.00 0.00 C ATOM 378 NZ LYS A 24 -0.395 -15.512 6.558 1.00 0.00 N ATOM 0 H LYS A 24 -6.028 -19.619 4.558 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.084 -18.723 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.847 -17.554 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.938 -18.729 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.844 -18.069 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.762 -16.867 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.431 -15.827 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.353 -16.956 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.830 -15.822 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.692 -14.479 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.410 -14.886 6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.885 -15.181 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.050 -16.481 6.710 1.00 0.00 H new ATOM 392 N LYS A 25 -3.099 -21.155 4.691 1.00 0.00 N ATOM 393 CA LYS A 25 -2.043 -22.197 4.832 1.00 0.00 C ATOM 394 C LYS A 25 -2.031 -23.084 3.584 1.00 0.00 C ATOM 395 O LYS A 25 -0.988 -23.412 3.054 1.00 0.00 O ATOM 396 CB LYS A 25 -2.334 -23.055 6.063 1.00 0.00 C ATOM 397 CG LYS A 25 -2.203 -22.199 7.325 1.00 0.00 C ATOM 398 CD LYS A 25 -2.353 -23.088 8.562 1.00 0.00 C ATOM 399 CE LYS A 25 -2.340 -22.217 9.819 1.00 0.00 C ATOM 400 NZ LYS A 25 -0.939 -21.811 10.127 1.00 0.00 N ATOM 0 H LYS A 25 -3.844 -21.196 5.386 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.072 -21.716 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.338 -23.474 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.640 -23.894 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.235 -21.698 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.965 -21.420 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.284 -23.652 8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.542 -23.815 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.961 -21.334 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.764 -22.766 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.925 -21.247 11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.351 -22.660 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.562 -21.243 9.342 1.00 0.00 H new ATOM 414 N ILE A 26 -3.183 -23.473 3.111 1.00 0.00 N ATOM 415 CA ILE A 26 -3.238 -24.339 1.900 1.00 0.00 C ATOM 416 C ILE A 26 -2.754 -23.546 0.685 1.00 0.00 C ATOM 417 O ILE A 26 -2.051 -24.059 -0.163 1.00 0.00 O ATOM 418 CB ILE A 26 -4.677 -24.800 1.668 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.168 -25.577 2.893 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.731 -25.705 0.437 1.00 0.00 C ATOM 421 CD1 ILE A 26 -6.650 -25.916 2.720 1.00 0.00 C ATOM 0 H ILE A 26 -4.089 -23.228 3.511 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.597 -25.209 2.045 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.315 -23.931 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.586 -26.491 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.022 -24.984 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.757 -26.034 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.382 -25.153 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.093 -26.574 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.001 -26.469 3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.225 -24.995 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.782 -26.526 1.826 1.00 0.00 H new ATOM 433 N VAL A 27 -3.123 -22.297 0.593 1.00 0.00 N ATOM 434 CA VAL A 27 -2.683 -21.474 -0.568 1.00 0.00 C ATOM 435 C VAL A 27 -1.159 -21.347 -0.555 1.00 0.00 C ATOM 436 O VAL A 27 -0.508 -21.461 -1.574 1.00 0.00 O ATOM 437 CB VAL A 27 -3.311 -20.082 -0.472 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.741 -19.188 -1.577 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.828 -20.194 -0.639 1.00 0.00 C ATOM 0 H VAL A 27 -3.710 -21.812 1.272 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.000 -21.953 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.084 -19.647 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.188 -18.196 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.660 -19.108 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.968 -19.623 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.276 -19.203 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.056 -20.629 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.235 -20.831 0.147 1.00 0.00 H new ATOM 449 N GLU A 28 -0.585 -21.114 0.594 1.00 0.00 N ATOM 450 CA GLU A 28 0.898 -20.980 0.672 1.00 0.00 C ATOM 451 C GLU A 28 1.552 -22.298 0.248 1.00 0.00 C ATOM 452 O GLU A 28 2.562 -22.310 -0.427 1.00 0.00 O ATOM 453 CB GLU A 28 1.303 -20.649 2.109 1.00 0.00 C ATOM 454 CG GLU A 28 0.766 -19.268 2.486 1.00 0.00 C ATOM 455 CD GLU A 28 1.249 -18.898 3.890 1.00 0.00 C ATOM 456 OE1 GLU A 28 1.829 -19.753 4.539 1.00 0.00 O ATOM 457 OE2 GLU A 28 1.033 -17.766 4.291 1.00 0.00 O ATOM 0 H GLU A 28 -1.078 -21.011 1.481 1.00 0.00 H new ATOM 0 HA GLU A 28 1.227 -20.181 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.910 -21.402 2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.389 -20.667 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.106 -18.525 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.324 -19.268 2.453 1.00 0.00 H new ATOM 464 N VAL A 29 0.985 -23.406 0.638 1.00 0.00 N ATOM 465 CA VAL A 29 1.577 -24.719 0.258 1.00 0.00 C ATOM 466 C VAL A 29 1.282 -25.005 -1.217 1.00 0.00 C ATOM 467 O VAL A 29 2.103 -25.546 -1.931 1.00 0.00 O ATOM 468 CB VAL A 29 0.968 -25.824 1.122 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.660 -27.153 0.816 1.00 0.00 C ATOM 470 CG2 VAL A 29 1.160 -25.478 2.600 1.00 0.00 C ATOM 0 H VAL A 29 0.138 -23.459 1.203 1.00 0.00 H new ATOM 0 HA VAL A 29 2.655 -24.689 0.414 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.096 -25.911 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.225 -27.940 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.524 -27.400 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.725 -27.068 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.726 -26.265 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.224 -25.391 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.666 -24.531 2.819 1.00 0.00 H new ATOM 480 N ALA A 30 0.115 -24.646 -1.679 1.00 0.00 N ATOM 481 CA ALA A 30 -0.230 -24.898 -3.107 1.00 0.00 C ATOM 482 C ALA A 30 0.621 -23.997 -4.005 1.00 0.00 C ATOM 483 O ALA A 30 1.212 -24.446 -4.967 1.00 0.00 O ATOM 484 CB ALA A 30 -1.711 -24.591 -3.335 1.00 0.00 C ATOM 0 H ALA A 30 -0.613 -24.190 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.033 -25.942 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.964 -24.775 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.318 -25.232 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.908 -23.547 -3.093 1.00 0.00 H new ATOM 490 N LYS A 31 0.688 -22.731 -3.699 1.00 0.00 N ATOM 491 CA LYS A 31 1.499 -21.804 -4.537 1.00 0.00 C ATOM 492 C LYS A 31 2.954 -22.280 -4.563 1.00 0.00 C ATOM 493 O LYS A 31 3.611 -22.241 -5.584 1.00 0.00 O ATOM 494 CB LYS A 31 1.436 -20.393 -3.947 1.00 0.00 C ATOM 495 CG LYS A 31 0.050 -19.797 -4.199 1.00 0.00 C ATOM 496 CD LYS A 31 0.067 -18.305 -3.857 1.00 0.00 C ATOM 497 CE LYS A 31 -1.321 -17.709 -4.104 1.00 0.00 C ATOM 498 NZ LYS A 31 -1.450 -16.426 -3.357 1.00 0.00 N ATOM 0 H LYS A 31 0.216 -22.298 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 31 1.101 -21.792 -5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.641 -20.425 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.202 -19.763 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.235 -19.939 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.695 -20.312 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.355 -18.163 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.809 -17.790 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.471 -17.538 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.092 -18.409 -3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.393 -16.020 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.324 -16.602 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.723 -15.759 -3.685 1.00 0.00 H new ATOM 512 N SER A 32 3.461 -22.730 -3.448 1.00 0.00 N ATOM 513 CA SER A 32 4.872 -23.207 -3.409 1.00 0.00 C ATOM 514 C SER A 32 5.108 -24.199 -4.552 1.00 0.00 C ATOM 515 O SER A 32 6.206 -24.334 -5.052 1.00 0.00 O ATOM 516 CB SER A 32 5.141 -23.898 -2.071 1.00 0.00 C ATOM 517 OG SER A 32 6.517 -24.238 -1.981 1.00 0.00 O ATOM 0 H SER A 32 2.959 -22.788 -2.562 1.00 0.00 H new ATOM 0 HA SER A 32 5.545 -22.357 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.864 -23.240 -1.248 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.528 -24.795 -1.983 1.00 0.00 H new ATOM 0 HG SER A 32 6.689 -24.679 -1.123 1.00 0.00 H new ATOM 523 N THR A 33 4.085 -24.894 -4.966 1.00 0.00 N ATOM 524 CA THR A 33 4.252 -25.875 -6.075 1.00 0.00 C ATOM 525 C THR A 33 4.286 -25.133 -7.413 1.00 0.00 C ATOM 526 O THR A 33 3.934 -23.974 -7.499 1.00 0.00 O ATOM 527 CB THR A 33 3.079 -26.859 -6.067 1.00 0.00 C ATOM 528 OG1 THR A 33 1.902 -26.193 -6.500 1.00 0.00 O ATOM 529 CG2 THR A 33 2.872 -27.398 -4.651 1.00 0.00 C ATOM 0 H THR A 33 3.141 -24.825 -4.585 1.00 0.00 H new ATOM 0 HA THR A 33 5.186 -26.421 -5.939 1.00 0.00 H new ATOM 0 HB THR A 33 3.296 -27.689 -6.740 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.554 -25.638 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.037 -28.098 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.776 -27.909 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.655 -26.571 -3.975 1.00 0.00 H new ATOM 537 N ASN A 34 4.708 -25.792 -8.458 1.00 0.00 N ATOM 538 CA ASN A 34 4.764 -25.123 -9.787 1.00 0.00 C ATOM 539 C ASN A 34 3.371 -24.609 -10.158 1.00 0.00 C ATOM 540 O ASN A 34 3.227 -23.595 -10.811 1.00 0.00 O ATOM 541 CB ASN A 34 5.236 -26.125 -10.843 1.00 0.00 C ATOM 542 CG ASN A 34 5.575 -25.382 -12.136 1.00 0.00 C ATOM 543 OD1 ASN A 34 5.779 -24.185 -12.127 1.00 0.00 O ATOM 544 ND2 ASN A 34 5.645 -26.046 -13.258 1.00 0.00 N ATOM 0 H ASN A 34 5.016 -26.764 -8.448 1.00 0.00 H new ATOM 0 HA ASN A 34 5.461 -24.286 -9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.111 -26.665 -10.482 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.459 -26.866 -11.030 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.871 -25.559 -14.125 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.474 -27.052 -13.267 1.00 0.00 H new ATOM 551 N SER A 35 2.345 -25.300 -9.744 1.00 0.00 N ATOM 552 CA SER A 35 0.962 -24.849 -10.072 1.00 0.00 C ATOM 553 C SER A 35 0.689 -23.510 -9.385 1.00 0.00 C ATOM 554 O SER A 35 1.323 -23.161 -8.409 1.00 0.00 O ATOM 555 CB SER A 35 -0.044 -25.891 -9.579 1.00 0.00 C ATOM 556 OG SER A 35 -0.136 -25.828 -8.164 1.00 0.00 O ATOM 0 H SER A 35 2.404 -26.157 -9.193 1.00 0.00 H new ATOM 0 HA SER A 35 0.862 -24.731 -11.151 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.021 -25.709 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.267 -26.888 -9.890 1.00 0.00 H new ATOM 0 HG SER A 35 0.758 -25.918 -7.774 1.00 0.00 H new ATOM 562 N LYS A 36 -0.252 -22.756 -9.886 1.00 0.00 N ATOM 563 CA LYS A 36 -0.566 -21.441 -9.261 1.00 0.00 C ATOM 564 C LYS A 36 -1.898 -21.533 -8.517 1.00 0.00 C ATOM 565 O LYS A 36 -2.760 -22.318 -8.861 1.00 0.00 O ATOM 566 CB LYS A 36 -0.662 -20.369 -10.348 1.00 0.00 C ATOM 567 CG LYS A 36 0.694 -20.220 -11.041 1.00 0.00 C ATOM 568 CD LYS A 36 0.623 -19.082 -12.061 1.00 0.00 C ATOM 569 CE LYS A 36 1.933 -19.022 -12.850 1.00 0.00 C ATOM 570 NZ LYS A 36 1.909 -20.048 -13.931 1.00 0.00 N ATOM 0 H LYS A 36 -0.816 -22.995 -10.701 1.00 0.00 H new ATOM 0 HA LYS A 36 0.224 -21.176 -8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.426 -20.642 -11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.965 -19.418 -9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.470 -20.014 -10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.965 -21.152 -11.538 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.216 -19.239 -12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.448 -18.134 -11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.066 -18.029 -13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.779 -19.198 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.785 -19.985 -14.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.835 -20.996 -13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.091 -19.880 -14.551 1.00 0.00 H new ATOM 584 N VAL A 37 -2.077 -20.737 -7.498 1.00 0.00 N ATOM 585 CA VAL A 37 -3.355 -20.779 -6.734 1.00 0.00 C ATOM 586 C VAL A 37 -3.970 -19.379 -6.693 1.00 0.00 C ATOM 587 O VAL A 37 -3.274 -18.388 -6.603 1.00 0.00 O ATOM 588 CB VAL A 37 -3.081 -21.259 -5.308 1.00 0.00 C ATOM 589 CG1 VAL A 37 -4.403 -21.394 -4.551 1.00 0.00 C ATOM 590 CG2 VAL A 37 -2.378 -22.617 -5.352 1.00 0.00 C ATOM 0 H VAL A 37 -1.393 -20.059 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.048 -21.466 -7.221 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.443 -20.536 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.207 -21.736 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.904 -20.426 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.042 -22.116 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.183 -22.959 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.015 -23.340 -5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.435 -22.521 -5.890 1.00 0.00 H new ATOM 600 N SER A 38 -5.270 -19.292 -6.758 1.00 0.00 N ATOM 601 CA SER A 38 -5.929 -17.956 -6.724 1.00 0.00 C ATOM 602 C SER A 38 -6.940 -17.913 -5.576 1.00 0.00 C ATOM 603 O SER A 38 -7.672 -18.854 -5.346 1.00 0.00 O ATOM 604 CB SER A 38 -6.652 -17.710 -8.049 1.00 0.00 C ATOM 605 OG SER A 38 -6.910 -16.322 -8.198 1.00 0.00 O ATOM 0 H SER A 38 -5.904 -20.088 -6.833 1.00 0.00 H new ATOM 0 HA SER A 38 -5.175 -17.184 -6.572 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.044 -18.069 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.587 -18.269 -8.074 1.00 0.00 H new ATOM 0 HG SER A 38 -7.372 -16.164 -9.048 1.00 0.00 H new ATOM 611 N GLY A 39 -6.985 -16.827 -4.854 1.00 0.00 N ATOM 612 CA GLY A 39 -7.949 -16.725 -3.722 1.00 0.00 C ATOM 613 C GLY A 39 -7.188 -16.423 -2.429 1.00 0.00 C ATOM 614 O GLY A 39 -6.139 -15.812 -2.445 1.00 0.00 O ATOM 0 H GLY A 39 -6.396 -16.007 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.677 -15.938 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.506 -17.656 -3.620 1.00 0.00 H new ATOM 618 N PRO A 40 -7.735 -16.866 -1.287 1.00 0.00 N ATOM 619 CA PRO A 40 -9.003 -17.606 -1.250 1.00 0.00 C ATOM 620 C PRO A 40 -10.197 -16.705 -1.579 1.00 0.00 C ATOM 621 O PRO A 40 -10.268 -15.572 -1.148 1.00 0.00 O ATOM 622 CB PRO A 40 -9.095 -18.084 0.200 1.00 0.00 C ATOM 623 CG PRO A 40 -8.271 -17.109 0.971 1.00 0.00 C ATOM 624 CD PRO A 40 -7.160 -16.679 0.056 1.00 0.00 C ATOM 0 HA PRO A 40 -9.027 -18.413 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.127 -18.094 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.712 -19.099 0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.871 -16.254 1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.873 -17.567 1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.874 -15.642 0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.265 -17.284 0.198 1.00 0.00 H new ATOM 632 N ILE A 41 -11.133 -17.201 -2.340 1.00 0.00 N ATOM 633 CA ILE A 41 -12.320 -16.372 -2.696 1.00 0.00 C ATOM 634 C ILE A 41 -13.427 -16.594 -1.664 1.00 0.00 C ATOM 635 O ILE A 41 -13.846 -17.708 -1.422 1.00 0.00 O ATOM 636 CB ILE A 41 -12.827 -16.776 -4.081 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.659 -16.792 -5.070 1.00 0.00 C ATOM 638 CG2 ILE A 41 -13.880 -15.769 -4.552 1.00 0.00 C ATOM 639 CD1 ILE A 41 -11.790 -18.003 -5.995 1.00 0.00 C ATOM 0 H ILE A 41 -11.128 -18.143 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.037 -15.319 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.271 -17.770 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.652 -15.873 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.713 -16.834 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.242 -16.056 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.713 -15.758 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.436 -14.775 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.958 -18.014 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.776 -18.917 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.730 -17.941 -6.544 1.00 0.00 H new ATOM 651 N PRO A 42 -13.909 -15.505 -1.046 1.00 0.00 N ATOM 652 CA PRO A 42 -14.971 -15.573 -0.035 1.00 0.00 C ATOM 653 C PRO A 42 -16.325 -15.920 -0.660 1.00 0.00 C ATOM 654 O PRO A 42 -16.664 -15.453 -1.730 1.00 0.00 O ATOM 655 CB PRO A 42 -15.009 -14.159 0.541 1.00 0.00 C ATOM 656 CG PRO A 42 -14.465 -13.293 -0.546 1.00 0.00 C ATOM 657 CD PRO A 42 -13.453 -14.124 -1.284 1.00 0.00 C ATOM 0 HA PRO A 42 -14.779 -16.345 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.025 -13.868 0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.407 -14.084 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.260 -12.964 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.004 -12.395 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.434 -13.884 -2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.445 -13.962 -0.903 1.00 0.00 H new ATOM 665 N LEU A 43 -17.104 -16.734 0.000 1.00 0.00 N ATOM 666 CA LEU A 43 -18.434 -17.108 -0.558 1.00 0.00 C ATOM 667 C LEU A 43 -19.537 -16.604 0.375 1.00 0.00 C ATOM 668 O LEU A 43 -19.271 -16.080 1.439 1.00 0.00 O ATOM 669 CB LEU A 43 -18.527 -18.631 -0.682 1.00 0.00 C ATOM 670 CG LEU A 43 -18.512 -19.025 -2.161 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.069 -19.031 -2.673 1.00 0.00 C ATOM 672 CD2 LEU A 43 -19.115 -20.421 -2.322 1.00 0.00 C ATOM 0 H LEU A 43 -16.877 -17.155 0.901 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.555 -16.656 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.692 -19.100 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.441 -18.990 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.098 -18.307 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.058 -19.312 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.638 -18.037 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.483 -19.749 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -19.105 -20.703 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -18.529 -21.139 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -20.142 -20.418 -1.957 1.00 0.00 H new ATOM 684 N PRO A 44 -20.801 -16.766 -0.040 1.00 0.00 N ATOM 685 CA PRO A 44 -21.958 -16.327 0.752 1.00 0.00 C ATOM 686 C PRO A 44 -22.158 -17.196 1.997 1.00 0.00 C ATOM 687 O PRO A 44 -22.084 -18.408 1.939 1.00 0.00 O ATOM 688 CB PRO A 44 -23.137 -16.510 -0.205 1.00 0.00 C ATOM 689 CG PRO A 44 -22.686 -17.565 -1.159 1.00 0.00 C ATOM 690 CD PRO A 44 -21.202 -17.388 -1.313 1.00 0.00 C ATOM 0 HA PRO A 44 -21.840 -15.306 1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.037 -16.816 0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.374 -15.581 -0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.922 -18.559 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.191 -17.463 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.698 -18.341 -1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.959 -16.753 -2.165 1.00 0.00 H new ATOM 698 N THR A 45 -22.412 -16.586 3.122 1.00 0.00 N ATOM 699 CA THR A 45 -22.617 -17.377 4.368 1.00 0.00 C ATOM 700 C THR A 45 -24.067 -17.864 4.428 1.00 0.00 C ATOM 701 O THR A 45 -24.976 -17.191 3.987 1.00 0.00 O ATOM 702 CB THR A 45 -22.323 -16.497 5.586 1.00 0.00 C ATOM 703 OG1 THR A 45 -21.033 -15.917 5.449 1.00 0.00 O ATOM 704 CG2 THR A 45 -22.370 -17.348 6.856 1.00 0.00 C ATOM 0 H THR A 45 -22.486 -15.575 3.232 1.00 0.00 H new ATOM 0 HA THR A 45 -21.944 -18.235 4.370 1.00 0.00 H new ATOM 0 HB THR A 45 -23.071 -15.707 5.653 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.423 -16.317 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 45 -22.161 -16.721 7.722 1.00 0.00 H new ATOM 0 HG22 THR A 45 -23.360 -17.792 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.623 -18.139 6.792 1.00 0.00 H new ATOM 762 N VAL A 49 -23.201 -20.674 8.793 1.00 0.00 N ATOM 763 CA VAL A 49 -22.037 -21.427 8.248 1.00 0.00 C ATOM 764 C VAL A 49 -21.386 -20.619 7.125 1.00 0.00 C ATOM 765 O VAL A 49 -22.045 -20.172 6.207 1.00 0.00 O ATOM 766 CB VAL A 49 -22.511 -22.773 7.698 1.00 0.00 C ATOM 767 CG1 VAL A 49 -21.306 -23.575 7.203 1.00 0.00 C ATOM 768 CG2 VAL A 49 -23.224 -23.555 8.803 1.00 0.00 C ATOM 0 HA VAL A 49 -21.310 -21.595 9.043 1.00 0.00 H new ATOM 0 HB VAL A 49 -23.200 -22.604 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.644 -24.534 6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.798 -23.019 6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.616 -23.743 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.562 -24.514 8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.536 -23.724 9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -24.083 -22.985 9.156 1.00 0.00 H new ATOM 778 N HIS A 50 -20.097 -20.427 7.188 1.00 0.00 N ATOM 779 CA HIS A 50 -19.406 -19.650 6.121 1.00 0.00 C ATOM 780 C HIS A 50 -18.691 -20.615 5.173 1.00 0.00 C ATOM 781 O HIS A 50 -18.331 -21.713 5.547 1.00 0.00 O ATOM 782 CB HIS A 50 -18.385 -18.707 6.759 1.00 0.00 C ATOM 783 CG HIS A 50 -19.088 -17.774 7.705 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.553 -16.530 7.308 1.00 0.00 N ATOM 785 CD2 HIS A 50 -19.418 -17.891 9.034 1.00 0.00 C ATOM 786 CE1 HIS A 50 -20.130 -15.952 8.378 1.00 0.00 C ATOM 787 NE2 HIS A 50 -20.075 -16.739 9.456 1.00 0.00 N ATOM 0 H HIS A 50 -19.493 -20.775 7.932 1.00 0.00 H new ATOM 0 HA HIS A 50 -20.137 -19.067 5.561 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.628 -19.281 7.293 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.868 -18.138 5.987 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -19.201 -18.747 9.656 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.582 -14.971 8.366 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -20.437 -16.539 10.388 1.00 0.00 H new ATOM 795 N LYS A 51 -18.485 -20.217 3.947 1.00 0.00 N ATOM 796 CA LYS A 51 -17.796 -21.120 2.981 1.00 0.00 C ATOM 797 C LYS A 51 -16.764 -20.325 2.176 1.00 0.00 C ATOM 798 O LYS A 51 -16.990 -19.191 1.805 1.00 0.00 O ATOM 799 CB LYS A 51 -18.827 -21.724 2.026 1.00 0.00 C ATOM 800 CG LYS A 51 -19.876 -22.496 2.829 1.00 0.00 C ATOM 801 CD LYS A 51 -20.778 -23.276 1.871 1.00 0.00 C ATOM 802 CE LYS A 51 -21.468 -22.301 0.914 1.00 0.00 C ATOM 803 NZ LYS A 51 -22.932 -22.583 0.888 1.00 0.00 N ATOM 0 H LYS A 51 -18.763 -19.309 3.573 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.292 -21.916 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.306 -20.936 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.335 -22.389 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.388 -23.180 3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.472 -21.806 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.189 -24.000 1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.523 -23.839 2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.290 -21.274 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.050 -22.400 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.402 -21.921 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.092 -23.558 0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.325 -22.467 1.844 1.00 0.00 H new ATOM 817 N ARG A 52 -15.634 -20.917 1.900 1.00 0.00 N ATOM 818 CA ARG A 52 -14.588 -20.202 1.115 1.00 0.00 C ATOM 819 C ARG A 52 -14.267 -21.007 -0.147 1.00 0.00 C ATOM 820 O ARG A 52 -14.362 -22.217 -0.162 1.00 0.00 O ATOM 821 CB ARG A 52 -13.324 -20.056 1.964 1.00 0.00 C ATOM 822 CG ARG A 52 -13.608 -19.128 3.146 1.00 0.00 C ATOM 823 CD ARG A 52 -12.298 -18.800 3.865 1.00 0.00 C ATOM 824 NE ARG A 52 -11.549 -17.774 3.085 1.00 0.00 N ATOM 825 CZ ARG A 52 -11.665 -16.511 3.390 1.00 0.00 C ATOM 826 NH1 ARG A 52 -12.829 -16.024 3.721 1.00 0.00 N ATOM 827 NH2 ARG A 52 -10.617 -15.733 3.365 1.00 0.00 N ATOM 0 H ARG A 52 -15.390 -21.866 2.184 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.951 -19.213 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.000 -21.032 2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.511 -19.654 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.082 -18.211 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.305 -19.604 3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.504 -18.430 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.695 -19.701 3.975 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.946 -18.059 2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.649 -16.631 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.920 -15.036 3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.706 -16.113 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.709 -14.746 3.604 1.00 0.00 H new ATOM 841 N LEU A 53 -13.892 -20.345 -1.208 1.00 0.00 N ATOM 842 CA LEU A 53 -13.570 -21.078 -2.465 1.00 0.00 C ATOM 843 C LEU A 53 -12.158 -20.713 -2.925 1.00 0.00 C ATOM 844 O LEU A 53 -11.810 -19.555 -3.040 1.00 0.00 O ATOM 845 CB LEU A 53 -14.576 -20.691 -3.551 1.00 0.00 C ATOM 846 CG LEU A 53 -14.312 -21.521 -4.809 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.716 -22.974 -4.556 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.134 -20.958 -5.972 1.00 0.00 C ATOM 0 H LEU A 53 -13.795 -19.331 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.624 -22.151 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.593 -20.861 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.491 -19.628 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.252 -21.477 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.528 -23.565 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.132 -23.375 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.776 -23.019 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.947 -21.548 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.194 -21.002 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.847 -19.922 -6.153 1.00 0.00 H new ATOM 860 N ILE A 54 -11.341 -21.695 -3.194 1.00 0.00 N ATOM 861 CA ILE A 54 -9.952 -21.406 -3.651 1.00 0.00 C ATOM 862 C ILE A 54 -9.765 -21.940 -5.072 1.00 0.00 C ATOM 863 O ILE A 54 -9.930 -23.116 -5.330 1.00 0.00 O ATOM 864 CB ILE A 54 -8.954 -22.090 -2.714 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.184 -21.608 -1.280 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.528 -21.739 -3.146 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.261 -22.371 -0.330 1.00 0.00 C ATOM 0 H ILE A 54 -11.575 -22.685 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.781 -20.330 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.095 -23.170 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.991 -20.538 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.225 -21.763 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.816 -22.225 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.362 -22.082 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.389 -20.659 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.425 -22.027 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.476 -23.438 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.223 -22.193 -0.610 1.00 0.00 H new ATOM 879 N ASP A 55 -9.425 -21.086 -5.998 1.00 0.00 N ATOM 880 CA ASP A 55 -9.232 -21.546 -7.402 1.00 0.00 C ATOM 881 C ASP A 55 -7.768 -21.939 -7.616 1.00 0.00 C ATOM 882 O ASP A 55 -6.868 -21.355 -7.045 1.00 0.00 O ATOM 883 CB ASP A 55 -9.604 -20.417 -8.364 1.00 0.00 C ATOM 884 CG ASP A 55 -11.100 -20.118 -8.247 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.795 -20.910 -7.632 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.524 -19.103 -8.773 1.00 0.00 O ATOM 0 H ASP A 55 -9.273 -20.089 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.870 -22.410 -7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.025 -19.523 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.358 -20.701 -9.387 1.00 0.00 H new ATOM 891 N ILE A 56 -7.523 -22.922 -8.438 1.00 0.00 N ATOM 892 CA ILE A 56 -6.119 -23.351 -8.691 1.00 0.00 C ATOM 893 C ILE A 56 -5.855 -23.358 -10.199 1.00 0.00 C ATOM 894 O ILE A 56 -6.620 -23.902 -10.971 1.00 0.00 O ATOM 895 CB ILE A 56 -5.906 -24.759 -8.130 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.217 -24.764 -6.632 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.452 -25.180 -8.350 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.027 -26.176 -6.077 1.00 0.00 C ATOM 0 H ILE A 56 -8.235 -23.447 -8.946 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.433 -22.659 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.569 -25.458 -8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.562 -24.066 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.240 -24.429 -6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.299 -26.183 -7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.230 -25.176 -9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.790 -24.481 -7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.248 -26.180 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.701 -26.862 -6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.996 -26.493 -6.235 1.00 0.00 H new ATOM 910 N ILE A 57 -4.779 -22.754 -10.625 1.00 0.00 N ATOM 911 CA ILE A 57 -4.470 -22.725 -12.083 1.00 0.00 C ATOM 912 C ILE A 57 -3.279 -23.642 -12.374 1.00 0.00 C ATOM 913 O ILE A 57 -2.327 -23.696 -11.622 1.00 0.00 O ATOM 914 CB ILE A 57 -4.126 -21.294 -12.501 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.265 -20.356 -12.098 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.933 -21.239 -14.018 1.00 0.00 C ATOM 917 CD1 ILE A 57 -4.868 -18.911 -12.405 1.00 0.00 C ATOM 0 H ILE A 57 -4.102 -22.280 -10.028 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.338 -23.071 -12.645 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.207 -20.982 -12.005 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.174 -20.617 -12.639 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.483 -20.467 -11.036 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.688 -20.220 -14.317 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.121 -21.907 -14.306 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.852 -21.551 -14.513 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.679 -18.242 -12.118 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.970 -18.653 -11.844 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.672 -18.806 -13.472 1.00 0.00 H new ATOM 929 N ASP A 58 -3.327 -24.361 -13.462 1.00 0.00 N ATOM 930 CA ASP A 58 -2.199 -25.272 -13.804 1.00 0.00 C ATOM 931 C ASP A 58 -1.818 -26.102 -12.577 1.00 0.00 C ATOM 932 O ASP A 58 -0.711 -26.024 -12.083 1.00 0.00 O ATOM 933 CB ASP A 58 -0.993 -24.445 -14.254 1.00 0.00 C ATOM 934 CG ASP A 58 0.018 -25.357 -14.952 1.00 0.00 C ATOM 935 OD1 ASP A 58 -0.406 -26.332 -15.548 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.199 -25.062 -14.881 1.00 0.00 O ATOM 0 H ASP A 58 -4.099 -24.357 -14.129 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.505 -25.938 -14.610 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.313 -23.654 -14.932 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.529 -23.961 -13.395 1.00 0.00 H new ATOM 941 N PRO A 59 -2.761 -26.916 -12.079 1.00 0.00 N ATOM 942 CA PRO A 59 -2.532 -27.770 -10.907 1.00 0.00 C ATOM 943 C PRO A 59 -1.579 -28.927 -11.226 1.00 0.00 C ATOM 944 O PRO A 59 -1.625 -29.504 -12.294 1.00 0.00 O ATOM 945 CB PRO A 59 -3.922 -28.315 -10.583 1.00 0.00 C ATOM 946 CG PRO A 59 -4.661 -28.257 -11.878 1.00 0.00 C ATOM 947 CD PRO A 59 -4.122 -27.066 -12.620 1.00 0.00 C ATOM 0 HA PRO A 59 -2.072 -27.221 -10.085 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.869 -29.335 -10.202 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.415 -27.715 -9.818 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.512 -29.172 -12.451 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.733 -28.157 -11.709 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.110 -27.235 -13.697 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.725 -26.176 -12.443 1.00 0.00 H new ATOM 955 N SER A 60 -0.717 -29.269 -10.309 1.00 0.00 N ATOM 956 CA SER A 60 0.236 -30.387 -10.562 1.00 0.00 C ATOM 957 C SER A 60 0.094 -31.439 -9.460 1.00 0.00 C ATOM 958 O SER A 60 -0.536 -31.208 -8.446 1.00 0.00 O ATOM 959 CB SER A 60 1.667 -29.846 -10.566 1.00 0.00 C ATOM 960 OG SER A 60 1.637 -28.426 -10.607 1.00 0.00 O ATOM 0 H SER A 60 -0.631 -28.823 -9.396 1.00 0.00 H new ATOM 0 HA SER A 60 0.015 -30.840 -11.528 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.197 -30.184 -9.675 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.211 -30.234 -11.427 1.00 0.00 H new ATOM 0 HG SER A 60 2.554 -28.079 -10.608 1.00 0.00 H new ATOM 966 N PRO A 61 0.694 -32.619 -9.668 1.00 0.00 N ATOM 967 CA PRO A 61 0.640 -33.719 -8.697 1.00 0.00 C ATOM 968 C PRO A 61 1.422 -33.385 -7.424 1.00 0.00 C ATOM 969 O PRO A 61 1.185 -33.946 -6.373 1.00 0.00 O ATOM 970 CB PRO A 61 1.302 -34.882 -9.435 1.00 0.00 C ATOM 971 CG PRO A 61 2.188 -34.230 -10.442 1.00 0.00 C ATOM 972 CD PRO A 61 1.478 -32.975 -10.865 1.00 0.00 C ATOM 0 HA PRO A 61 -0.378 -33.933 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.873 -35.511 -8.753 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.561 -35.522 -9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.164 -34.001 -10.014 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.360 -34.887 -11.294 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.180 -32.186 -11.137 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.838 -33.145 -11.731 1.00 0.00 H new ATOM 980 N LYS A 62 2.349 -32.471 -7.510 1.00 0.00 N ATOM 981 CA LYS A 62 3.139 -32.097 -6.304 1.00 0.00 C ATOM 982 C LYS A 62 2.219 -31.399 -5.301 1.00 0.00 C ATOM 983 O LYS A 62 2.462 -31.408 -4.110 1.00 0.00 O ATOM 984 CB LYS A 62 4.272 -31.151 -6.706 1.00 0.00 C ATOM 985 CG LYS A 62 5.159 -30.875 -5.491 1.00 0.00 C ATOM 986 CD LYS A 62 6.223 -29.839 -5.861 1.00 0.00 C ATOM 987 CE LYS A 62 7.227 -29.706 -4.714 1.00 0.00 C ATOM 988 NZ LYS A 62 8.589 -29.476 -5.271 1.00 0.00 N ATOM 0 H LYS A 62 2.593 -31.967 -8.363 1.00 0.00 H new ATOM 0 HA LYS A 62 3.564 -32.992 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.863 -31.594 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.862 -30.217 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.554 -30.510 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.635 -31.797 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.736 -30.140 -6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.754 -28.876 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.944 -28.879 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.220 -30.609 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.272 -29.386 -4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.857 -30.279 -5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.590 -28.603 -5.836 1.00 0.00 H new ATOM 1002 N THR A 63 1.162 -30.796 -5.773 1.00 0.00 N ATOM 1003 CA THR A 63 0.225 -30.102 -4.847 1.00 0.00 C ATOM 1004 C THR A 63 -0.539 -31.144 -4.032 1.00 0.00 C ATOM 1005 O THR A 63 -0.748 -30.988 -2.845 1.00 0.00 O ATOM 1006 CB THR A 63 -0.763 -29.258 -5.655 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.046 -28.400 -6.531 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.620 -28.420 -4.705 1.00 0.00 C ATOM 0 H THR A 63 0.908 -30.754 -6.760 1.00 0.00 H new ATOM 0 HA THR A 63 0.787 -29.453 -4.176 1.00 0.00 H new ATOM 0 HB THR A 63 -1.409 -29.915 -6.238 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.426 -27.719 -6.008 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.323 -27.820 -5.283 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.171 -29.080 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.977 -27.763 -4.119 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.957 -32.209 -4.659 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.705 -33.265 -3.920 1.00 0.00 C ATOM 1018 C ILE A 64 -0.790 -33.882 -2.862 1.00 0.00 C ATOM 1019 O ILE A 64 -1.197 -34.129 -1.743 1.00 0.00 O ATOM 1020 CB ILE A 64 -2.159 -34.349 -4.899 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -3.029 -33.720 -5.990 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -2.969 -35.407 -4.147 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.315 -34.760 -7.076 1.00 0.00 C ATOM 0 H ILE A 64 -0.813 -32.394 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.578 -32.826 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.286 -34.816 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.964 -33.359 -5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.522 -32.857 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.293 -36.180 -4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.350 -35.855 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.842 -34.940 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.935 -34.313 -7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.375 -35.099 -7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.839 -35.609 -6.638 1.00 0.00 H new ATOM 1035 N ASP A 65 0.445 -34.130 -3.203 1.00 0.00 N ATOM 1036 CA ASP A 65 1.386 -34.727 -2.215 1.00 0.00 C ATOM 1037 C ASP A 65 1.461 -33.825 -0.981 1.00 0.00 C ATOM 1038 O ASP A 65 1.397 -34.286 0.141 1.00 0.00 O ATOM 1039 CB ASP A 65 2.775 -34.852 -2.842 1.00 0.00 C ATOM 1040 CG ASP A 65 3.696 -35.626 -1.896 1.00 0.00 C ATOM 1041 OD1 ASP A 65 3.201 -36.135 -0.904 1.00 0.00 O ATOM 1042 OD2 ASP A 65 4.880 -35.695 -2.180 1.00 0.00 O ATOM 0 H ASP A 65 0.843 -33.945 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 65 1.032 -35.716 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.707 -35.365 -3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.187 -33.862 -3.038 1.00 0.00 H new ATOM 1047 N ALA A 66 1.595 -32.542 -1.181 1.00 0.00 N ATOM 1048 CA ALA A 66 1.672 -31.612 -0.020 1.00 0.00 C ATOM 1049 C ALA A 66 0.379 -31.702 0.792 1.00 0.00 C ATOM 1050 O ALA A 66 0.385 -31.597 2.002 1.00 0.00 O ATOM 1051 CB ALA A 66 1.857 -30.179 -0.526 1.00 0.00 C ATOM 0 H ALA A 66 1.654 -32.099 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 66 2.517 -31.887 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.913 -29.498 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.778 -30.114 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.011 -29.904 -1.156 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.733 -31.897 0.136 1.00 0.00 N ATOM 1058 CA LEU A 67 -2.025 -31.995 0.872 1.00 0.00 C ATOM 1059 C LEU A 67 -2.027 -33.262 1.729 1.00 0.00 C ATOM 1060 O LEU A 67 -2.509 -33.266 2.845 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.180 -32.056 -0.130 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.505 -32.162 0.627 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.853 -30.804 1.239 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.612 -32.584 -0.341 1.00 0.00 C ATOM 0 H LEU A 67 -0.802 -31.993 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.146 -31.121 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.178 -31.165 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.057 -32.913 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.412 -32.904 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.797 -30.879 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.064 -30.503 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.946 -30.061 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.557 -32.660 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.705 -31.842 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.364 -33.552 -0.777 1.00 0.00 H new ATOM 1076 N MET A 68 -1.491 -34.336 1.219 1.00 0.00 N ATOM 1077 CA MET A 68 -1.462 -35.600 2.007 1.00 0.00 C ATOM 1078 C MET A 68 -0.477 -35.452 3.168 1.00 0.00 C ATOM 1079 O MET A 68 -0.602 -36.102 4.187 1.00 0.00 O ATOM 1080 CB MET A 68 -1.019 -36.755 1.105 1.00 0.00 C ATOM 1081 CG MET A 68 -2.139 -37.091 0.119 1.00 0.00 C ATOM 1082 SD MET A 68 -1.667 -38.540 -0.857 1.00 0.00 S ATOM 1083 CE MET A 68 -0.136 -37.862 -1.542 1.00 0.00 C ATOM 0 H MET A 68 -1.072 -34.393 0.291 1.00 0.00 H new ATOM 0 HA MET A 68 -2.458 -35.808 2.398 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.114 -36.481 0.564 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.777 -37.630 1.709 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.066 -37.288 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.327 -36.242 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.201 -38.488 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.316 -36.849 -1.903 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.631 -37.840 -0.768 1.00 0.00 H new ATOM 1093 N ARG A 69 0.501 -34.601 3.023 1.00 0.00 N ATOM 1094 CA ARG A 69 1.492 -34.409 4.119 1.00 0.00 C ATOM 1095 C ARG A 69 0.897 -33.487 5.185 1.00 0.00 C ATOM 1096 O ARG A 69 1.243 -33.561 6.347 1.00 0.00 O ATOM 1097 CB ARG A 69 2.766 -33.780 3.552 1.00 0.00 C ATOM 1098 CG ARG A 69 3.434 -34.761 2.587 1.00 0.00 C ATOM 1099 CD ARG A 69 4.752 -34.168 2.085 1.00 0.00 C ATOM 1100 NE ARG A 69 5.722 -34.088 3.213 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.398 -35.146 3.568 1.00 0.00 C ATOM 1102 NH1 ARG A 69 5.861 -36.025 4.370 1.00 0.00 N ATOM 1103 NH2 ARG A 69 7.612 -35.325 3.123 1.00 0.00 N ATOM 0 H ARG A 69 0.657 -34.030 2.192 1.00 0.00 H new ATOM 0 HA ARG A 69 1.733 -35.374 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.526 -32.851 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.451 -33.527 4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.618 -35.711 3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.772 -34.967 1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.159 -34.785 1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.581 -33.176 1.667 1.00 0.00 H new ATOM 0 HE ARG A 69 5.858 -33.206 3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.913 -35.885 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.389 -36.852 4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.032 -34.638 2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.140 -36.152 3.401 1.00 0.00 H new ATOM 1117 N ILE A 70 0.004 -32.618 4.797 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.614 -31.693 5.786 1.00 0.00 C ATOM 1119 C ILE A 70 -2.095 -32.041 5.952 1.00 0.00 C ATOM 1120 O ILE A 70 -2.793 -32.299 4.991 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.482 -30.252 5.290 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.991 -29.932 5.042 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.042 -29.296 6.344 1.00 0.00 C ATOM 1124 CD1 ILE A 70 1.114 -28.538 4.422 1.00 0.00 C ATOM 0 H ILE A 70 -0.324 -32.509 3.837 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.106 -31.795 6.745 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.040 -30.135 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.546 -29.975 5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.429 -30.677 4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.948 -28.269 5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.093 -29.524 6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.485 -29.412 7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.165 -28.310 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.573 -28.511 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.692 -27.799 5.103 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.581 -32.051 7.163 1.00 0.00 N ATOM 1137 CA ASN A 71 -4.017 -32.384 7.386 1.00 0.00 C ATOM 1138 C ASN A 71 -4.789 -31.111 7.735 1.00 0.00 C ATOM 1139 O ASN A 71 -4.320 -30.273 8.479 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.135 -33.384 8.537 1.00 0.00 C ATOM 1141 CG ASN A 71 -3.445 -34.693 8.147 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -3.197 -34.939 6.984 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -3.122 -35.549 9.078 1.00 0.00 N ATOM 0 H ASN A 71 -2.047 -31.843 8.007 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.433 -32.823 6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.678 -32.974 9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.184 -33.568 8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.661 -36.424 8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.330 -35.343 10.055 1.00 0.00 H new ATOM 1150 N LEU A 72 -5.971 -30.959 7.203 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.773 -29.740 7.505 1.00 0.00 C ATOM 1152 C LEU A 72 -7.019 -29.651 9.011 1.00 0.00 C ATOM 1153 O LEU A 72 -7.199 -30.650 9.679 1.00 0.00 O ATOM 1154 CB LEU A 72 -8.114 -29.820 6.773 1.00 0.00 C ATOM 1155 CG LEU A 72 -8.989 -30.890 7.428 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -9.850 -30.249 8.518 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -9.894 -31.525 6.370 1.00 0.00 C ATOM 0 H LEU A 72 -6.416 -31.626 6.572 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.229 -28.855 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.617 -28.853 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.953 -30.060 5.722 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.354 -31.657 7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.473 -31.012 8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.206 -29.796 9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.485 -29.482 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.518 -32.288 6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.529 -30.758 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.281 -31.982 5.594 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.026 -28.425 9.552 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.251 -28.192 10.984 1.00 0.00 C ATOM 1171 C PRO A 73 -8.702 -28.468 11.384 1.00 0.00 C ATOM 1172 O PRO A 73 -9.611 -28.329 10.589 1.00 0.00 O ATOM 1173 CB PRO A 73 -6.934 -26.707 11.159 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.172 -26.109 9.813 1.00 0.00 C ATOM 1175 CD PRO A 73 -6.816 -27.170 8.810 1.00 0.00 C ATOM 0 HA PRO A 73 -6.642 -28.848 11.606 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.575 -26.251 11.914 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.904 -26.557 11.483 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.212 -25.803 9.702 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.561 -25.218 9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.450 -27.115 7.925 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.785 -27.072 8.470 1.00 0.00 H new ATOM 1183 N ALA A 74 -8.927 -28.859 12.608 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.320 -29.144 13.056 1.00 0.00 C ATOM 1185 C ALA A 74 -11.174 -27.884 12.898 1.00 0.00 C ATOM 1186 O ALA A 74 -10.685 -26.776 12.989 1.00 0.00 O ATOM 1187 CB ALA A 74 -10.305 -29.571 14.524 1.00 0.00 C ATOM 0 H ALA A 74 -8.207 -28.994 13.318 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.741 -29.946 12.449 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.323 -29.780 14.853 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.697 -30.468 14.636 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.885 -28.770 15.132 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.448 -28.044 12.665 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.332 -26.856 12.503 1.00 0.00 C ATOM 1195 C GLY A 75 -13.419 -26.479 11.022 1.00 0.00 C ATOM 1196 O GLY A 75 -14.009 -25.480 10.661 1.00 0.00 O ATOM 0 H GLY A 75 -12.915 -28.947 12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.326 -27.074 12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.941 -26.018 13.080 1.00 0.00 H new ATOM 1200 N VAL A 76 -12.838 -27.269 10.161 1.00 0.00 N ATOM 1201 CA VAL A 76 -12.890 -26.952 8.706 1.00 0.00 C ATOM 1202 C VAL A 76 -13.359 -28.186 7.932 1.00 0.00 C ATOM 1203 O VAL A 76 -13.080 -29.308 8.305 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.498 -26.545 8.222 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -11.572 -26.123 6.753 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -10.986 -25.374 9.063 1.00 0.00 C ATOM 0 H VAL A 76 -12.330 -28.120 10.402 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.587 -26.131 8.538 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.817 -27.390 8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.580 -25.833 6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.936 -26.957 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.253 -25.278 6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.994 -25.084 8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.667 -24.529 8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.933 -25.674 10.110 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.072 -27.988 6.857 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.558 -29.151 6.062 1.00 0.00 C ATOM 1218 C ASP A 77 -14.220 -28.937 4.584 1.00 0.00 C ATOM 1219 O ASP A 77 -14.011 -27.825 4.141 1.00 0.00 O ATOM 1220 CB ASP A 77 -16.074 -29.282 6.225 1.00 0.00 C ATOM 1221 CG ASP A 77 -16.556 -30.550 5.517 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -15.716 -31.351 5.142 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -17.757 -30.698 5.363 1.00 0.00 O ATOM 0 H ASP A 77 -14.339 -27.072 6.495 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.074 -30.061 6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.335 -29.322 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.572 -28.407 5.807 1.00 0.00 H new