USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 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 -83:sc= 1.05 USER MOD Set 1.2: A 35 SER OG : rot -59:sc= 0.615 USER MOD Set 1.3: A 60 SER OG : rot 81:sc= 0.767! USER MOD Set 1.4: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 160:sc= -0.146 USER MOD Set 2.2: A 50 HIS : no HE2:sc= -3! C(o=-3.2!,f=-3.7!) USER MOD Single : A 5 GLN : amide:sc=-0.00225 K(o=-0.0022,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0115 (180deg=-0.271) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.225 (180deg=-1.13) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-2.8!) USER MOD Single : A 22 SER OG : rot -40:sc= 0.416 USER MOD Single : A 24 LYS NZ :NH3+ -134:sc= 0.537 (180deg=0) 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 -39:sc= 1.09 USER MOD Single : A 34 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.6!) 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= -0.0621 (180deg=-0.581) USER MOD Single : A 68 MET CE :methyl -165:sc= -3.14! (180deg=-3.75!) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -7.147 -26.281 -17.567 1.00 0.00 N ATOM 46 CA GLN A 5 -8.104 -26.805 -16.551 1.00 0.00 C ATOM 47 C GLN A 5 -7.757 -26.226 -15.179 1.00 0.00 C ATOM 48 O GLN A 5 -6.604 -26.010 -14.859 1.00 0.00 O ATOM 49 CB GLN A 5 -8.010 -28.331 -16.501 1.00 0.00 C ATOM 50 CG GLN A 5 -8.434 -28.913 -17.849 1.00 0.00 C ATOM 51 CD GLN A 5 -8.286 -30.436 -17.818 1.00 0.00 C ATOM 52 OE1 GLN A 5 -7.618 -30.975 -16.957 1.00 0.00 O ATOM 53 NE2 GLN A 5 -8.882 -31.155 -18.728 1.00 0.00 N ATOM 0 HA GLN A 5 -9.119 -26.513 -16.822 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.990 -28.635 -16.266 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.649 -28.719 -15.708 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.467 -28.642 -18.065 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.821 -28.494 -18.647 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.442 -30.702 -19.450 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.788 -32.171 -18.718 1.00 0.00 H new ATOM 62 N LYS A 6 -8.744 -25.971 -14.365 1.00 0.00 N ATOM 63 CA LYS A 6 -8.469 -25.406 -13.014 1.00 0.00 C ATOM 64 C LYS A 6 -9.295 -26.157 -11.967 1.00 0.00 C ATOM 65 O LYS A 6 -10.362 -26.665 -12.253 1.00 0.00 O ATOM 66 CB LYS A 6 -8.848 -23.923 -12.995 1.00 0.00 C ATOM 67 CG LYS A 6 -10.357 -23.781 -13.200 1.00 0.00 C ATOM 68 CD LYS A 6 -10.718 -22.299 -13.328 1.00 0.00 C ATOM 69 CE LYS A 6 -12.239 -22.138 -13.272 1.00 0.00 C ATOM 70 NZ LYS A 6 -12.855 -22.848 -14.429 1.00 0.00 N ATOM 0 H LYS A 6 -9.729 -26.129 -14.577 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.409 -25.514 -12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.555 -23.474 -12.046 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.312 -23.389 -13.780 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.665 -24.320 -14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.892 -24.225 -12.361 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.251 -21.729 -12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.334 -21.900 -14.267 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.624 -22.542 -12.336 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.505 -21.081 -13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.860 -22.589 -14.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.364 -22.576 -15.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.772 -23.875 -14.290 1.00 0.00 H new ATOM 84 N ILE A 7 -8.813 -26.229 -10.758 1.00 0.00 N ATOM 85 CA ILE A 7 -9.571 -26.948 -9.695 1.00 0.00 C ATOM 86 C ILE A 7 -9.958 -25.960 -8.592 1.00 0.00 C ATOM 87 O ILE A 7 -9.179 -25.114 -8.201 1.00 0.00 O ATOM 88 CB ILE A 7 -8.696 -28.055 -9.104 1.00 0.00 C ATOM 89 CG1 ILE A 7 -8.257 -29.008 -10.217 1.00 0.00 C ATOM 90 CG2 ILE A 7 -9.495 -28.830 -8.055 1.00 0.00 C ATOM 91 CD1 ILE A 7 -7.279 -30.039 -9.650 1.00 0.00 C ATOM 0 H ILE A 7 -7.927 -25.821 -10.459 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.472 -27.388 -10.123 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.816 -27.612 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.125 -29.511 -10.643 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.784 -28.448 -11.024 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.872 -29.619 -7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.808 -28.151 -7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.375 -29.273 -8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.966 -30.718 -10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.406 -29.528 -9.245 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.767 -30.607 -8.858 1.00 0.00 H new ATOM 103 N ARG A 8 -11.157 -26.060 -8.086 1.00 0.00 N ATOM 104 CA ARG A 8 -11.593 -25.127 -7.009 1.00 0.00 C ATOM 105 C ARG A 8 -11.992 -25.927 -5.769 1.00 0.00 C ATOM 106 O ARG A 8 -12.678 -26.927 -5.857 1.00 0.00 O ATOM 107 CB ARG A 8 -12.792 -24.310 -7.496 1.00 0.00 C ATOM 108 CG ARG A 8 -12.368 -23.433 -8.677 1.00 0.00 C ATOM 109 CD ARG A 8 -13.532 -22.528 -9.083 1.00 0.00 C ATOM 110 NE ARG A 8 -14.723 -23.365 -9.406 1.00 0.00 N ATOM 111 CZ ARG A 8 -15.749 -22.833 -10.012 1.00 0.00 C ATOM 112 NH1 ARG A 8 -16.138 -21.627 -9.700 1.00 0.00 N ATOM 113 NH2 ARG A 8 -16.386 -23.507 -10.929 1.00 0.00 N ATOM 0 H ARG A 8 -11.854 -26.748 -8.372 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.772 -24.455 -6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.601 -24.976 -7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.174 -23.688 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.502 -22.830 -8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.068 -24.058 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.769 -21.837 -8.274 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.253 -21.924 -9.947 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.736 -24.353 -9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.640 -21.100 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.940 -21.211 -10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.082 -24.450 -11.172 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.188 -23.091 -11.403 1.00 0.00 H new ATOM 127 N ILE A 9 -11.569 -25.497 -4.611 1.00 0.00 N ATOM 128 CA ILE A 9 -11.925 -26.232 -3.367 1.00 0.00 C ATOM 129 C ILE A 9 -12.749 -25.321 -2.455 1.00 0.00 C ATOM 130 O ILE A 9 -12.434 -24.162 -2.272 1.00 0.00 O ATOM 131 CB ILE A 9 -10.646 -26.658 -2.641 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.789 -27.512 -3.577 1.00 0.00 C ATOM 133 CG2 ILE A 9 -11.012 -27.472 -1.399 1.00 0.00 C ATOM 134 CD1 ILE A 9 -8.461 -27.842 -2.892 1.00 0.00 C ATOM 0 H ILE A 9 -10.992 -24.667 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.509 -27.116 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.085 -25.772 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.316 -28.431 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.607 -26.978 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.102 -27.776 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.623 -26.863 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.573 -28.358 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.849 -28.451 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.933 -26.918 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.653 -28.393 -1.971 1.00 0.00 H new ATOM 146 N LYS A 10 -13.804 -25.834 -1.882 1.00 0.00 N ATOM 147 CA LYS A 10 -14.646 -24.996 -0.984 1.00 0.00 C ATOM 148 C LYS A 10 -14.372 -25.372 0.473 1.00 0.00 C ATOM 149 O LYS A 10 -14.267 -26.533 0.816 1.00 0.00 O ATOM 150 CB LYS A 10 -16.123 -25.233 -1.304 1.00 0.00 C ATOM 151 CG LYS A 10 -16.449 -24.641 -2.676 1.00 0.00 C ATOM 152 CD LYS A 10 -17.947 -24.784 -2.952 1.00 0.00 C ATOM 153 CE LYS A 10 -18.242 -24.370 -4.395 1.00 0.00 C ATOM 154 NZ LYS A 10 -19.705 -24.132 -4.554 1.00 0.00 N ATOM 0 H LYS A 10 -14.118 -26.797 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.405 -23.944 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.341 -26.301 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.750 -24.774 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.161 -23.590 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.876 -25.152 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.261 -25.815 -2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.516 -24.162 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.686 -23.467 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.912 -25.149 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.906 -23.851 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -20.225 -25.005 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.006 -23.375 -3.908 1.00 0.00 H new ATOM 168 N LEU A 11 -14.255 -24.398 1.335 1.00 0.00 N ATOM 169 CA LEU A 11 -13.986 -24.701 2.769 1.00 0.00 C ATOM 170 C LEU A 11 -15.259 -24.466 3.585 1.00 0.00 C ATOM 171 O LEU A 11 -15.952 -23.485 3.403 1.00 0.00 O ATOM 172 CB LEU A 11 -12.875 -23.785 3.284 1.00 0.00 C ATOM 173 CG LEU A 11 -11.718 -23.774 2.284 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.507 -23.077 2.910 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.345 -25.213 1.920 1.00 0.00 C ATOM 0 H LEU A 11 -14.334 -23.407 1.108 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.675 -25.741 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.258 -22.774 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.526 -24.131 4.257 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.021 -23.238 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.683 -23.069 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.771 -22.052 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.204 -23.613 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.520 -25.206 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.043 -25.749 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.206 -25.710 1.474 1.00 0.00 H new ATOM 187 N LYS A 12 -15.574 -25.359 4.483 1.00 0.00 N ATOM 188 CA LYS A 12 -16.802 -25.185 5.309 1.00 0.00 C ATOM 189 C LYS A 12 -16.414 -25.061 6.783 1.00 0.00 C ATOM 190 O LYS A 12 -15.676 -25.870 7.312 1.00 0.00 O ATOM 191 CB LYS A 12 -17.717 -26.397 5.122 1.00 0.00 C ATOM 192 CG LYS A 12 -18.018 -26.583 3.635 1.00 0.00 C ATOM 193 CD LYS A 12 -19.041 -27.706 3.457 1.00 0.00 C ATOM 194 CE LYS A 12 -19.318 -27.913 1.966 1.00 0.00 C ATOM 195 NZ LYS A 12 -18.031 -27.900 1.216 1.00 0.00 N ATOM 0 H LYS A 12 -15.034 -26.202 4.680 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.325 -24.282 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.240 -27.292 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.644 -26.255 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.404 -25.655 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.102 -26.822 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.665 -28.628 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.965 -27.456 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -19.833 -28.861 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.976 -27.127 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.157 -28.379 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.733 -26.917 1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.302 -28.396 1.768 1.00 0.00 H new ATOM 209 N ALA A 13 -16.904 -24.055 7.454 1.00 0.00 N ATOM 210 CA ALA A 13 -16.564 -23.881 8.894 1.00 0.00 C ATOM 211 C ALA A 13 -17.499 -22.842 9.517 1.00 0.00 C ATOM 212 O ALA A 13 -17.866 -21.868 8.891 1.00 0.00 O ATOM 213 CB ALA A 13 -15.116 -23.404 9.021 1.00 0.00 C ATOM 0 H ALA A 13 -17.526 -23.345 7.067 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.681 -24.833 9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.866 -23.276 10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.449 -24.143 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.000 -22.452 8.503 1.00 0.00 H new ATOM 219 N TYR A 14 -17.889 -23.044 10.745 1.00 0.00 N ATOM 220 CA TYR A 14 -18.802 -22.069 11.407 1.00 0.00 C ATOM 221 C TYR A 14 -18.107 -20.709 11.512 1.00 0.00 C ATOM 222 O TYR A 14 -18.717 -19.675 11.325 1.00 0.00 O ATOM 223 CB TYR A 14 -19.153 -22.571 12.809 1.00 0.00 C ATOM 224 CG TYR A 14 -19.865 -23.898 12.704 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.226 -23.939 12.379 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.164 -25.089 12.932 1.00 0.00 C ATOM 227 CE1 TYR A 14 -21.887 -25.169 12.281 1.00 0.00 C ATOM 228 CE2 TYR A 14 -19.825 -26.319 12.835 1.00 0.00 C ATOM 229 CZ TYR A 14 -21.186 -26.360 12.510 1.00 0.00 C ATOM 230 OH TYR A 14 -21.836 -27.574 12.414 1.00 0.00 O ATOM 0 H TYR A 14 -17.615 -23.842 11.319 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.713 -21.967 10.818 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.247 -22.678 13.406 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.787 -21.845 13.319 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.767 -23.021 12.204 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.114 -25.058 13.183 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.937 -25.200 12.029 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -19.284 -27.237 13.011 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.204 -28.299 12.602 1.00 0.00 H new ATOM 240 N ASP A 15 -16.838 -20.703 11.810 1.00 0.00 N ATOM 241 CA ASP A 15 -16.107 -19.409 11.928 1.00 0.00 C ATOM 242 C ASP A 15 -15.421 -19.087 10.599 1.00 0.00 C ATOM 243 O ASP A 15 -14.595 -19.838 10.118 1.00 0.00 O ATOM 244 CB ASP A 15 -15.055 -19.515 13.031 1.00 0.00 C ATOM 245 CG ASP A 15 -14.520 -18.121 13.362 1.00 0.00 C ATOM 246 OD1 ASP A 15 -14.974 -17.172 12.745 1.00 0.00 O ATOM 247 OD2 ASP A 15 -13.662 -18.027 14.225 1.00 0.00 O ATOM 0 H ASP A 15 -16.275 -21.537 11.977 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.813 -18.616 12.175 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.490 -19.970 13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.239 -20.162 12.709 1.00 0.00 H new ATOM 252 N HIS A 16 -15.754 -17.976 10.001 1.00 0.00 N ATOM 253 CA HIS A 16 -15.119 -17.607 8.706 1.00 0.00 C ATOM 254 C HIS A 16 -13.628 -17.348 8.926 1.00 0.00 C ATOM 255 O HIS A 16 -12.803 -17.653 8.086 1.00 0.00 O ATOM 256 CB HIS A 16 -15.779 -16.343 8.156 1.00 0.00 C ATOM 257 CG HIS A 16 -15.154 -15.985 6.835 1.00 0.00 C ATOM 258 ND1 HIS A 16 -13.889 -15.424 6.744 1.00 0.00 N ATOM 259 CD2 HIS A 16 -15.606 -16.103 5.544 1.00 0.00 C ATOM 260 CE1 HIS A 16 -13.627 -15.228 5.439 1.00 0.00 C ATOM 261 NE2 HIS A 16 -14.639 -15.624 4.664 1.00 0.00 N ATOM 0 H HIS A 16 -16.439 -17.308 10.354 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.246 -18.422 7.994 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -16.850 -16.504 8.032 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -15.659 -15.521 8.862 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.565 -16.506 5.255 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.708 -14.802 5.064 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.692 -15.584 3.646 1.00 0.00 H new ATOM 269 N GLU A 17 -13.273 -16.790 10.052 1.00 0.00 N ATOM 270 CA GLU A 17 -11.835 -16.513 10.325 1.00 0.00 C ATOM 271 C GLU A 17 -11.036 -17.813 10.209 1.00 0.00 C ATOM 272 O GLU A 17 -9.938 -17.835 9.690 1.00 0.00 O ATOM 273 CB GLU A 17 -11.684 -15.944 11.738 1.00 0.00 C ATOM 274 CG GLU A 17 -12.481 -14.643 11.851 1.00 0.00 C ATOM 275 CD GLU A 17 -12.240 -14.016 13.226 1.00 0.00 C ATOM 276 OE1 GLU A 17 -11.674 -14.690 14.071 1.00 0.00 O ATOM 277 OE2 GLU A 17 -12.626 -12.874 13.409 1.00 0.00 O ATOM 0 H GLU A 17 -13.917 -16.514 10.794 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.459 -15.790 9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.040 -16.666 12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.632 -15.759 11.957 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.180 -13.950 11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.544 -14.841 11.711 1.00 0.00 H new ATOM 284 N LEU A 18 -11.580 -18.898 10.690 1.00 0.00 N ATOM 285 CA LEU A 18 -10.851 -20.195 10.607 1.00 0.00 C ATOM 286 C LEU A 18 -10.655 -20.575 9.139 1.00 0.00 C ATOM 287 O LEU A 18 -9.612 -21.059 8.747 1.00 0.00 O ATOM 288 CB LEU A 18 -11.665 -21.281 11.312 1.00 0.00 C ATOM 289 CG LEU A 18 -11.414 -21.207 12.820 1.00 0.00 C ATOM 290 CD1 LEU A 18 -11.575 -19.762 13.293 1.00 0.00 C ATOM 291 CD2 LEU A 18 -12.422 -22.099 13.549 1.00 0.00 C ATOM 0 H LEU A 18 -12.496 -18.942 11.136 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.878 -20.099 11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.726 -21.149 11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.385 -22.264 10.933 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.402 -21.549 13.038 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.396 -19.709 14.367 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.857 -19.127 12.774 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.586 -19.419 13.076 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.244 -22.047 14.623 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.434 -21.757 13.332 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.307 -23.129 13.212 1.00 0.00 H new ATOM 303 N LEU A 19 -11.651 -20.361 8.321 1.00 0.00 N ATOM 304 CA LEU A 19 -11.517 -20.712 6.878 1.00 0.00 C ATOM 305 C LEU A 19 -10.401 -19.874 6.252 1.00 0.00 C ATOM 306 O LEU A 19 -9.629 -20.354 5.446 1.00 0.00 O ATOM 307 CB LEU A 19 -12.836 -20.426 6.160 1.00 0.00 C ATOM 308 CG LEU A 19 -13.948 -21.280 6.773 1.00 0.00 C ATOM 309 CD1 LEU A 19 -15.224 -21.124 5.944 1.00 0.00 C ATOM 310 CD2 LEU A 19 -13.518 -22.748 6.780 1.00 0.00 C ATOM 0 H LEU A 19 -12.549 -19.959 8.589 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.274 -21.770 6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.087 -19.369 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.738 -20.646 5.097 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.137 -20.953 7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.017 -21.732 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.529 -20.078 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.036 -21.451 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.310 -23.357 7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.329 -23.077 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.608 -22.858 7.370 1.00 0.00 H new ATOM 322 N ASP A 20 -10.309 -18.623 6.616 1.00 0.00 N ATOM 323 CA ASP A 20 -9.242 -17.757 6.039 1.00 0.00 C ATOM 324 C ASP A 20 -7.870 -18.324 6.408 1.00 0.00 C ATOM 325 O ASP A 20 -6.990 -18.435 5.577 1.00 0.00 O ATOM 326 CB ASP A 20 -9.376 -16.341 6.599 1.00 0.00 C ATOM 327 CG ASP A 20 -8.537 -15.378 5.759 1.00 0.00 C ATOM 328 OD1 ASP A 20 -7.974 -15.821 4.770 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.469 -14.214 6.117 1.00 0.00 O ATOM 0 H ASP A 20 -10.926 -18.165 7.287 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.344 -17.729 4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.421 -16.032 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.046 -16.317 7.638 1.00 0.00 H new ATOM 334 N GLU A 21 -7.680 -18.686 7.648 1.00 0.00 N ATOM 335 CA GLU A 21 -6.364 -19.247 8.066 1.00 0.00 C ATOM 336 C GLU A 21 -6.105 -20.553 7.311 1.00 0.00 C ATOM 337 O GLU A 21 -5.060 -20.742 6.719 1.00 0.00 O ATOM 338 CB GLU A 21 -6.379 -19.522 9.571 1.00 0.00 C ATOM 339 CG GLU A 21 -4.964 -19.867 10.040 1.00 0.00 C ATOM 340 CD GLU A 21 -4.975 -20.126 11.547 1.00 0.00 C ATOM 341 OE1 GLU A 21 -6.036 -20.014 12.140 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.923 -20.432 12.083 1.00 0.00 O ATOM 0 H GLU A 21 -8.378 -18.618 8.388 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.575 -18.531 7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.749 -18.648 10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.059 -20.344 9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.599 -20.748 9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.282 -19.049 9.806 1.00 0.00 H new ATOM 349 N SER A 22 -7.049 -21.454 7.324 1.00 0.00 N ATOM 350 CA SER A 22 -6.855 -22.744 6.605 1.00 0.00 C ATOM 351 C SER A 22 -6.564 -22.463 5.130 1.00 0.00 C ATOM 352 O SER A 22 -5.684 -23.055 4.536 1.00 0.00 O ATOM 353 CB SER A 22 -8.126 -23.589 6.722 1.00 0.00 C ATOM 354 OG SER A 22 -9.168 -22.982 5.972 1.00 0.00 O ATOM 0 H SER A 22 -7.945 -21.352 7.801 1.00 0.00 H new ATOM 0 HA SER A 22 -6.018 -23.285 7.046 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.940 -24.598 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.421 -23.679 7.768 1.00 0.00 H new ATOM 0 HG SER A 22 -9.134 -22.010 6.091 1.00 0.00 H new ATOM 360 N ALA A 23 -7.296 -21.562 4.533 1.00 0.00 N ATOM 361 CA ALA A 23 -7.062 -21.241 3.097 1.00 0.00 C ATOM 362 C ALA A 23 -5.654 -20.665 2.926 1.00 0.00 C ATOM 363 O ALA A 23 -4.894 -21.100 2.083 1.00 0.00 O ATOM 364 CB ALA A 23 -8.094 -20.212 2.631 1.00 0.00 C ATOM 0 H ALA A 23 -8.047 -21.034 4.979 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.158 -22.148 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.924 -19.976 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.097 -20.621 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.997 -19.304 3.227 1.00 0.00 H new ATOM 370 N LYS A 24 -5.301 -19.692 3.718 1.00 0.00 N ATOM 371 CA LYS A 24 -3.943 -19.090 3.600 1.00 0.00 C ATOM 372 C LYS A 24 -2.885 -20.184 3.762 1.00 0.00 C ATOM 373 O LYS A 24 -1.888 -20.206 3.070 1.00 0.00 O ATOM 374 CB LYS A 24 -3.755 -18.034 4.692 1.00 0.00 C ATOM 375 CG LYS A 24 -4.118 -16.657 4.137 1.00 0.00 C ATOM 376 CD LYS A 24 -4.032 -15.617 5.256 1.00 0.00 C ATOM 377 CE LYS A 24 -5.070 -14.519 5.013 1.00 0.00 C ATOM 378 NZ LYS A 24 -5.494 -13.939 6.319 1.00 0.00 N ATOM 0 H LYS A 24 -5.894 -19.287 4.442 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.837 -18.623 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.383 -18.269 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.723 -18.036 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.441 -16.390 3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.125 -16.675 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.208 -16.091 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.032 -15.185 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.649 -13.740 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.933 -14.929 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.531 -13.858 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.178 -14.558 7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.070 -12.996 6.434 1.00 0.00 H new ATOM 392 N LYS A 25 -3.096 -21.093 4.676 1.00 0.00 N ATOM 393 CA LYS A 25 -2.104 -22.184 4.885 1.00 0.00 C ATOM 394 C LYS A 25 -1.972 -23.008 3.601 1.00 0.00 C ATOM 395 O LYS A 25 -0.883 -23.267 3.129 1.00 0.00 O ATOM 396 CB LYS A 25 -2.575 -23.087 6.026 1.00 0.00 C ATOM 397 CG LYS A 25 -1.487 -24.112 6.351 1.00 0.00 C ATOM 398 CD LYS A 25 -1.981 -25.046 7.457 1.00 0.00 C ATOM 399 CE LYS A 25 -0.835 -25.954 7.908 1.00 0.00 C ATOM 400 NZ LYS A 25 -0.081 -25.291 9.009 1.00 0.00 N ATOM 0 H LYS A 25 -3.913 -21.126 5.286 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.136 -21.752 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.800 -22.488 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.496 -23.597 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.236 -24.687 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.577 -23.604 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.351 -24.464 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.815 -25.647 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.228 -26.912 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.169 -26.161 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.698 -25.907 9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.306 -24.387 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.720 -25.115 9.810 1.00 0.00 H new ATOM 414 N ILE A 26 -3.072 -23.421 3.035 1.00 0.00 N ATOM 415 CA ILE A 26 -3.008 -24.229 1.784 1.00 0.00 C ATOM 416 C ILE A 26 -2.484 -23.357 0.640 1.00 0.00 C ATOM 417 O ILE A 26 -1.706 -23.797 -0.183 1.00 0.00 O ATOM 418 CB ILE A 26 -4.407 -24.741 1.435 1.00 0.00 C ATOM 419 CG1 ILE A 26 -4.963 -25.550 2.608 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.328 -25.632 0.193 1.00 0.00 C ATOM 421 CD1 ILE A 26 -3.922 -26.575 3.059 1.00 0.00 C ATOM 0 H ILE A 26 -4.012 -23.234 3.384 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.338 -25.076 1.932 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.064 -23.894 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.217 -24.886 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.882 -26.055 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.324 -25.997 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.933 -25.056 -0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.671 -26.478 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.318 -27.152 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.690 -27.246 2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.015 -26.058 3.372 1.00 0.00 H new ATOM 433 N VAL A 27 -2.906 -22.123 0.582 1.00 0.00 N ATOM 434 CA VAL A 27 -2.432 -21.225 -0.509 1.00 0.00 C ATOM 435 C VAL A 27 -0.904 -21.147 -0.480 1.00 0.00 C ATOM 436 O VAL A 27 -0.247 -21.261 -1.496 1.00 0.00 O ATOM 437 CB VAL A 27 -3.019 -19.827 -0.310 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.380 -18.858 -1.307 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.531 -19.871 -0.540 1.00 0.00 C ATOM 0 H VAL A 27 -3.558 -21.699 1.242 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.756 -21.621 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.815 -19.489 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.798 -17.862 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.303 -18.826 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.583 -19.195 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.950 -18.875 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.735 -20.209 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.987 -20.561 0.170 1.00 0.00 H new ATOM 449 N GLU A 28 -0.332 -20.951 0.676 1.00 0.00 N ATOM 450 CA GLU A 28 1.153 -20.864 0.768 1.00 0.00 C ATOM 451 C GLU A 28 1.771 -22.177 0.284 1.00 0.00 C ATOM 452 O GLU A 28 2.768 -22.187 -0.410 1.00 0.00 O ATOM 453 CB GLU A 28 1.562 -20.612 2.221 1.00 0.00 C ATOM 454 CG GLU A 28 3.072 -20.378 2.293 1.00 0.00 C ATOM 455 CD GLU A 28 3.497 -20.228 3.755 1.00 0.00 C ATOM 456 OE1 GLU A 28 2.640 -20.338 4.615 1.00 0.00 O ATOM 457 OE2 GLU A 28 4.674 -20.006 3.989 1.00 0.00 O ATOM 0 H GLU A 28 -0.829 -20.847 1.561 1.00 0.00 H new ATOM 0 HA GLU A 28 1.508 -20.043 0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.030 -19.746 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.285 -21.465 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.602 -21.212 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.339 -19.482 1.732 1.00 0.00 H new ATOM 464 N VAL A 29 1.187 -23.287 0.647 1.00 0.00 N ATOM 465 CA VAL A 29 1.742 -24.598 0.206 1.00 0.00 C ATOM 466 C VAL A 29 1.471 -24.791 -1.287 1.00 0.00 C ATOM 467 O VAL A 29 2.303 -25.289 -2.019 1.00 0.00 O ATOM 468 CB VAL A 29 1.073 -25.725 0.996 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.741 -27.057 0.649 1.00 0.00 C ATOM 470 CG2 VAL A 29 1.221 -25.455 2.495 1.00 0.00 C ATOM 0 H VAL A 29 0.351 -23.342 1.229 1.00 0.00 H new ATOM 0 HA VAL A 29 2.817 -24.617 0.385 1.00 0.00 H new ATOM 0 HB VAL A 29 0.015 -25.771 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.265 -27.860 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.636 -27.250 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.799 -27.011 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.745 -26.258 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.279 -25.409 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.745 -24.506 2.743 1.00 0.00 H new ATOM 480 N ALA A 30 0.312 -24.403 -1.744 1.00 0.00 N ATOM 481 CA ALA A 30 -0.011 -24.564 -3.190 1.00 0.00 C ATOM 482 C ALA A 30 0.888 -23.644 -4.018 1.00 0.00 C ATOM 483 O ALA A 30 1.463 -24.050 -5.009 1.00 0.00 O ATOM 484 CB ALA A 30 -1.476 -24.199 -3.430 1.00 0.00 C ATOM 0 H ALA A 30 -0.425 -23.982 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 30 0.157 -25.599 -3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.712 -24.317 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.116 -24.855 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.646 -23.164 -3.133 1.00 0.00 H new ATOM 490 N LYS A 31 1.014 -22.407 -3.622 1.00 0.00 N ATOM 491 CA LYS A 31 1.876 -21.464 -4.387 1.00 0.00 C ATOM 492 C LYS A 31 3.310 -21.995 -4.418 1.00 0.00 C ATOM 493 O LYS A 31 3.990 -21.917 -5.422 1.00 0.00 O ATOM 494 CB LYS A 31 1.855 -20.090 -3.714 1.00 0.00 C ATOM 495 CG LYS A 31 2.531 -19.066 -4.627 1.00 0.00 C ATOM 496 CD LYS A 31 2.558 -17.703 -3.933 1.00 0.00 C ATOM 497 CE LYS A 31 3.169 -16.663 -4.874 1.00 0.00 C ATOM 498 NZ LYS A 31 3.053 -15.309 -4.262 1.00 0.00 N ATOM 0 H LYS A 31 0.557 -22.009 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 31 1.499 -21.374 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.828 -19.789 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.371 -20.135 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.546 -19.387 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.993 -18.994 -5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.548 -17.406 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.140 -17.763 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.216 -16.899 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.658 -16.684 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.468 -14.602 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.050 -15.085 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.560 -15.294 -3.354 1.00 0.00 H new ATOM 512 N SER A 32 3.776 -22.536 -3.326 1.00 0.00 N ATOM 513 CA SER A 32 5.166 -23.072 -3.294 1.00 0.00 C ATOM 514 C SER A 32 5.306 -24.184 -4.334 1.00 0.00 C ATOM 515 O SER A 32 6.380 -24.440 -4.843 1.00 0.00 O ATOM 516 CB SER A 32 5.463 -23.635 -1.903 1.00 0.00 C ATOM 517 OG SER A 32 4.673 -24.794 -1.682 1.00 0.00 O ATOM 0 H SER A 32 3.254 -22.630 -2.455 1.00 0.00 H new ATOM 0 HA SER A 32 5.870 -22.271 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.521 -23.882 -1.817 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.248 -22.885 -1.142 1.00 0.00 H new ATOM 0 HG SER A 32 3.778 -24.656 -2.056 1.00 0.00 H new ATOM 523 N THR A 33 4.230 -24.848 -4.656 1.00 0.00 N ATOM 524 CA THR A 33 4.302 -25.943 -5.664 1.00 0.00 C ATOM 525 C THR A 33 4.255 -25.344 -7.071 1.00 0.00 C ATOM 526 O THR A 33 3.864 -24.209 -7.260 1.00 0.00 O ATOM 527 CB THR A 33 3.115 -26.891 -5.473 1.00 0.00 C ATOM 528 OG1 THR A 33 1.925 -26.251 -5.913 1.00 0.00 O ATOM 529 CG2 THR A 33 2.983 -27.255 -3.993 1.00 0.00 C ATOM 0 H THR A 33 3.303 -24.679 -4.264 1.00 0.00 H new ATOM 0 HA THR A 33 5.233 -26.496 -5.535 1.00 0.00 H new ATOM 0 HB THR A 33 3.277 -27.798 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.579 -25.677 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.138 -27.930 -3.858 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.896 -27.746 -3.656 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.821 -26.349 -3.409 1.00 0.00 H new ATOM 537 N ASN A 34 4.651 -26.098 -8.060 1.00 0.00 N ATOM 538 CA ASN A 34 4.628 -25.571 -9.453 1.00 0.00 C ATOM 539 C ASN A 34 3.217 -25.086 -9.791 1.00 0.00 C ATOM 540 O ASN A 34 3.036 -24.140 -10.532 1.00 0.00 O ATOM 541 CB ASN A 34 5.031 -26.680 -10.426 1.00 0.00 C ATOM 542 CG ASN A 34 6.472 -27.110 -10.142 1.00 0.00 C ATOM 543 OD1 ASN A 34 7.214 -26.398 -9.495 1.00 0.00 O ATOM 544 ND2 ASN A 34 6.902 -28.252 -10.604 1.00 0.00 N ATOM 0 H ASN A 34 4.989 -27.055 -7.963 1.00 0.00 H new ATOM 0 HA ASN A 34 5.329 -24.741 -9.538 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.359 -27.532 -10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.941 -26.327 -11.453 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.861 -28.547 -10.422 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.279 -28.850 -11.147 1.00 0.00 H new ATOM 551 N SER A 35 2.215 -25.728 -9.254 1.00 0.00 N ATOM 552 CA SER A 35 0.817 -25.305 -9.545 1.00 0.00 C ATOM 553 C SER A 35 0.561 -23.924 -8.938 1.00 0.00 C ATOM 554 O SER A 35 1.099 -23.581 -7.903 1.00 0.00 O ATOM 555 CB SER A 35 -0.158 -26.315 -8.939 1.00 0.00 C ATOM 556 OG SER A 35 0.119 -27.608 -9.455 1.00 0.00 O ATOM 0 H SER A 35 2.305 -26.527 -8.626 1.00 0.00 H new ATOM 0 HA SER A 35 0.671 -25.259 -10.624 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.067 -26.318 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.184 -26.031 -9.172 1.00 0.00 H new ATOM 0 HG SER A 35 0.028 -27.597 -10.431 1.00 0.00 H new ATOM 562 N LYS A 36 -0.256 -23.129 -9.573 1.00 0.00 N ATOM 563 CA LYS A 36 -0.548 -21.772 -9.032 1.00 0.00 C ATOM 564 C LYS A 36 -1.921 -21.779 -8.358 1.00 0.00 C ATOM 565 O LYS A 36 -2.821 -22.485 -8.771 1.00 0.00 O ATOM 566 CB LYS A 36 -0.542 -20.754 -10.174 1.00 0.00 C ATOM 567 CG LYS A 36 0.843 -20.723 -10.823 1.00 0.00 C ATOM 568 CD LYS A 36 0.872 -19.652 -11.915 1.00 0.00 C ATOM 569 CE LYS A 36 2.212 -19.709 -12.650 1.00 0.00 C ATOM 570 NZ LYS A 36 2.553 -18.354 -13.168 1.00 0.00 N ATOM 0 H LYS A 36 -0.734 -23.361 -10.444 1.00 0.00 H new ATOM 0 HA LYS A 36 0.214 -21.499 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.297 -21.018 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.800 -19.765 -9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.604 -20.512 -10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.078 -21.698 -11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.053 -19.811 -12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.728 -18.665 -11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.994 -20.060 -11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.157 -20.421 -13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.464 -18.393 -13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.811 -18.036 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.622 -17.686 -12.374 1.00 0.00 H new ATOM 584 N VAL A 37 -2.091 -21.004 -7.323 1.00 0.00 N ATOM 585 CA VAL A 37 -3.406 -20.973 -6.625 1.00 0.00 C ATOM 586 C VAL A 37 -3.964 -19.548 -6.642 1.00 0.00 C ATOM 587 O VAL A 37 -3.228 -18.582 -6.661 1.00 0.00 O ATOM 588 CB VAL A 37 -3.226 -21.430 -5.176 1.00 0.00 C ATOM 589 CG1 VAL A 37 -2.213 -20.519 -4.477 1.00 0.00 C ATOM 590 CG2 VAL A 37 -4.568 -21.356 -4.446 1.00 0.00 C ATOM 0 H VAL A 37 -1.376 -20.391 -6.931 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.100 -21.641 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.862 -22.457 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.084 -20.843 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.256 -20.573 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.577 -19.492 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.439 -21.682 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.933 -20.329 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.289 -22.004 -4.944 1.00 0.00 H new ATOM 600 N SER A 38 -5.262 -19.411 -6.632 1.00 0.00 N ATOM 601 CA SER A 38 -5.869 -18.052 -6.644 1.00 0.00 C ATOM 602 C SER A 38 -6.901 -17.947 -5.519 1.00 0.00 C ATOM 603 O SER A 38 -7.616 -18.885 -5.231 1.00 0.00 O ATOM 604 CB SER A 38 -6.557 -17.812 -7.990 1.00 0.00 C ATOM 605 OG SER A 38 -6.648 -16.416 -8.233 1.00 0.00 O ATOM 0 H SER A 38 -5.928 -20.183 -6.616 1.00 0.00 H new ATOM 0 HA SER A 38 -5.090 -17.304 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.995 -18.295 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.552 -18.257 -7.986 1.00 0.00 H new ATOM 0 HG SER A 38 -7.087 -16.262 -9.096 1.00 0.00 H new ATOM 611 N GLY A 39 -6.980 -16.813 -4.878 1.00 0.00 N ATOM 612 CA GLY A 39 -7.965 -16.652 -3.771 1.00 0.00 C ATOM 613 C GLY A 39 -7.234 -16.221 -2.497 1.00 0.00 C ATOM 614 O GLY A 39 -6.207 -15.574 -2.551 1.00 0.00 O ATOM 0 H GLY A 39 -6.406 -15.992 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.715 -15.909 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.493 -17.590 -3.600 1.00 0.00 H new ATOM 618 N PRO A 40 -7.778 -16.593 -1.330 1.00 0.00 N ATOM 619 CA PRO A 40 -9.017 -17.374 -1.247 1.00 0.00 C ATOM 620 C PRO A 40 -10.240 -16.541 -1.643 1.00 0.00 C ATOM 621 O PRO A 40 -10.341 -15.376 -1.314 1.00 0.00 O ATOM 622 CB PRO A 40 -9.103 -17.754 0.231 1.00 0.00 C ATOM 623 CG PRO A 40 -8.324 -16.696 0.937 1.00 0.00 C ATOM 624 CD PRO A 40 -7.224 -16.282 -0.001 1.00 0.00 C ATOM 0 HA PRO A 40 -9.007 -18.230 -1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.137 -17.780 0.574 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.682 -18.743 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.960 -15.847 1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.914 -17.075 1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.988 -15.223 0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.303 -16.833 0.190 1.00 0.00 H new ATOM 632 N ILE A 41 -11.169 -17.130 -2.343 1.00 0.00 N ATOM 633 CA ILE A 41 -12.382 -16.370 -2.757 1.00 0.00 C ATOM 634 C ILE A 41 -13.483 -16.560 -1.710 1.00 0.00 C ATOM 635 O ILE A 41 -13.776 -17.665 -1.300 1.00 0.00 O ATOM 636 CB ILE A 41 -12.867 -16.886 -4.113 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.678 -16.994 -5.071 1.00 0.00 C ATOM 638 CG2 ILE A 41 -13.900 -15.915 -4.689 1.00 0.00 C ATOM 639 CD1 ILE A 41 -12.110 -17.722 -6.344 1.00 0.00 C ATOM 0 H ILE A 41 -11.141 -18.104 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.140 -15.310 -2.839 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.323 -17.868 -3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.305 -16.000 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.860 -17.532 -4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.246 -16.282 -5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.746 -15.837 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.445 -14.933 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.262 -17.798 -7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.462 -18.722 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.914 -17.166 -6.826 1.00 0.00 H new ATOM 651 N PRO A 42 -14.098 -15.453 -1.270 1.00 0.00 N ATOM 652 CA PRO A 42 -15.168 -15.486 -0.265 1.00 0.00 C ATOM 653 C PRO A 42 -16.453 -16.110 -0.818 1.00 0.00 C ATOM 654 O PRO A 42 -17.025 -15.630 -1.778 1.00 0.00 O ATOM 655 CB PRO A 42 -15.401 -14.011 0.059 1.00 0.00 C ATOM 656 CG PRO A 42 -14.941 -13.282 -1.158 1.00 0.00 C ATOM 657 CD PRO A 42 -13.800 -14.082 -1.720 1.00 0.00 C ATOM 0 HA PRO A 42 -14.895 -16.089 0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.452 -13.812 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.838 -13.705 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.748 -13.191 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.621 -12.270 -0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.758 -14.015 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.839 -13.734 -1.342 1.00 0.00 H new ATOM 665 N LEU A 43 -16.909 -17.175 -0.219 1.00 0.00 N ATOM 666 CA LEU A 43 -18.152 -17.833 -0.706 1.00 0.00 C ATOM 667 C LEU A 43 -19.356 -17.288 0.066 1.00 0.00 C ATOM 668 O LEU A 43 -19.209 -16.636 1.081 1.00 0.00 O ATOM 669 CB LEU A 43 -18.048 -19.343 -0.478 1.00 0.00 C ATOM 670 CG LEU A 43 -17.356 -19.994 -1.676 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.038 -21.455 -1.350 1.00 0.00 C ATOM 672 CD2 LEU A 43 -18.279 -19.932 -2.894 1.00 0.00 C ATOM 0 H LEU A 43 -16.472 -17.619 0.589 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.278 -17.629 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.487 -19.546 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.042 -19.770 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.431 -19.461 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -16.545 -21.919 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.380 -21.499 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -17.963 -21.989 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.786 -20.396 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -19.205 -20.464 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -18.505 -18.891 -3.127 1.00 0.00 H new ATOM 684 N PRO A 44 -20.569 -17.573 -0.427 1.00 0.00 N ATOM 685 CA PRO A 44 -21.814 -17.122 0.213 1.00 0.00 C ATOM 686 C PRO A 44 -22.024 -17.794 1.574 1.00 0.00 C ATOM 687 O PRO A 44 -21.896 -18.995 1.711 1.00 0.00 O ATOM 688 CB PRO A 44 -22.899 -17.567 -0.768 1.00 0.00 C ATOM 689 CG PRO A 44 -22.282 -18.704 -1.510 1.00 0.00 C ATOM 690 CD PRO A 44 -20.830 -18.355 -1.647 1.00 0.00 C ATOM 0 HA PRO A 44 -21.814 -16.050 0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.804 -17.877 -0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.181 -16.758 -1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.411 -19.641 -0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.748 -18.834 -2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.203 -19.245 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.636 -17.775 -2.549 1.00 0.00 H new ATOM 698 N THR A 45 -22.343 -17.028 2.580 1.00 0.00 N ATOM 699 CA THR A 45 -22.557 -17.619 3.931 1.00 0.00 C ATOM 700 C THR A 45 -23.989 -18.145 4.045 1.00 0.00 C ATOM 701 O THR A 45 -24.898 -17.643 3.414 1.00 0.00 O ATOM 702 CB THR A 45 -22.321 -16.546 4.997 1.00 0.00 C ATOM 703 OG1 THR A 45 -21.036 -15.970 4.810 1.00 0.00 O ATOM 704 CG2 THR A 45 -22.403 -17.178 6.386 1.00 0.00 C ATOM 0 H THR A 45 -22.465 -16.017 2.525 1.00 0.00 H new ATOM 0 HA THR A 45 -21.859 -18.443 4.079 1.00 0.00 H new ATOM 0 HB THR A 45 -23.082 -15.771 4.909 1.00 0.00 H new ATOM 0 HG1 THR A 45 -21.001 -15.098 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 45 -22.235 -16.413 7.144 1.00 0.00 H new ATOM 0 HG22 THR A 45 -23.390 -17.619 6.528 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.643 -17.954 6.478 1.00 0.00 H new ATOM 762 N VAL A 49 -23.121 -20.266 8.892 1.00 0.00 N ATOM 763 CA VAL A 49 -21.918 -21.029 8.455 1.00 0.00 C ATOM 764 C VAL A 49 -21.205 -20.261 7.339 1.00 0.00 C ATOM 765 O VAL A 49 -21.816 -19.830 6.381 1.00 0.00 O ATOM 766 CB VAL A 49 -22.345 -22.402 7.935 1.00 0.00 C ATOM 767 CG1 VAL A 49 -21.104 -23.206 7.544 1.00 0.00 C ATOM 768 CG2 VAL A 49 -23.111 -23.146 9.030 1.00 0.00 C ATOM 0 HA VAL A 49 -21.242 -21.155 9.300 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.987 -22.278 7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.407 -24.185 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.558 -22.676 6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.462 -23.331 8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.416 -24.125 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.469 -23.271 9.902 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.995 -22.573 9.310 1.00 0.00 H new ATOM 778 N HIS A 50 -19.917 -20.088 7.454 1.00 0.00 N ATOM 779 CA HIS A 50 -19.166 -19.352 6.400 1.00 0.00 C ATOM 780 C HIS A 50 -18.357 -20.344 5.564 1.00 0.00 C ATOM 781 O HIS A 50 -17.890 -21.350 6.060 1.00 0.00 O ATOM 782 CB HIS A 50 -18.220 -18.345 7.056 1.00 0.00 C ATOM 783 CG HIS A 50 -19.013 -17.398 7.915 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.198 -17.609 9.272 1.00 0.00 N ATOM 785 CD2 HIS A 50 -19.673 -16.231 7.623 1.00 0.00 C ATOM 786 CE1 HIS A 50 -19.943 -16.593 9.742 1.00 0.00 C ATOM 787 NE2 HIS A 50 -20.260 -15.724 8.778 1.00 0.00 N ATOM 0 H HIS A 50 -19.352 -20.425 8.234 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.868 -18.823 5.756 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.478 -18.867 7.661 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.675 -17.790 6.292 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -18.835 -18.392 9.815 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -19.728 -15.775 6.645 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.248 -16.492 10.773 1.00 0.00 H new ATOM 795 N LYS A 51 -18.186 -20.072 4.299 1.00 0.00 N ATOM 796 CA LYS A 51 -17.407 -21.004 3.436 1.00 0.00 C ATOM 797 C LYS A 51 -16.436 -20.206 2.564 1.00 0.00 C ATOM 798 O LYS A 51 -16.645 -19.040 2.291 1.00 0.00 O ATOM 799 CB LYS A 51 -18.365 -21.790 2.539 1.00 0.00 C ATOM 800 CG LYS A 51 -19.363 -22.557 3.408 1.00 0.00 C ATOM 801 CD LYS A 51 -20.181 -23.505 2.529 1.00 0.00 C ATOM 802 CE LYS A 51 -20.989 -22.691 1.517 1.00 0.00 C ATOM 803 NZ LYS A 51 -22.437 -23.013 1.663 1.00 0.00 N ATOM 0 H LYS A 51 -18.552 -19.245 3.826 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.846 -21.695 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.895 -21.111 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -17.806 -22.483 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.834 -23.121 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.024 -21.860 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.520 -24.198 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.850 -24.105 3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.825 -21.625 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.656 -22.916 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.987 -22.460 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.586 -24.028 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.750 -22.777 2.626 1.00 0.00 H new ATOM 817 N ARG A 52 -15.376 -20.826 2.124 1.00 0.00 N ATOM 818 CA ARG A 52 -14.392 -20.106 1.267 1.00 0.00 C ATOM 819 C ARG A 52 -14.098 -20.944 0.021 1.00 0.00 C ATOM 820 O ARG A 52 -14.186 -22.155 0.041 1.00 0.00 O ATOM 821 CB ARG A 52 -13.097 -19.885 2.051 1.00 0.00 C ATOM 822 CG ARG A 52 -13.358 -18.911 3.202 1.00 0.00 C ATOM 823 CD ARG A 52 -12.038 -18.585 3.902 1.00 0.00 C ATOM 824 NE ARG A 52 -11.206 -17.723 3.017 1.00 0.00 N ATOM 825 CZ ARG A 52 -11.674 -16.583 2.587 1.00 0.00 C ATOM 826 NH1 ARG A 52 -11.494 -15.499 3.289 1.00 0.00 N ATOM 827 NH2 ARG A 52 -12.321 -16.529 1.455 1.00 0.00 N ATOM 0 H ARG A 52 -15.148 -21.801 2.321 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.804 -19.142 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.728 -20.834 2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.324 -19.488 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.816 -17.998 2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.060 -19.349 3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.231 -18.076 4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.503 -19.505 4.139 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.270 -18.024 2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.988 -15.542 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.859 -14.608 2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.461 -17.378 0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.687 -15.638 1.119 1.00 0.00 H new ATOM 841 N LEU A 53 -13.750 -20.309 -1.065 1.00 0.00 N ATOM 842 CA LEU A 53 -13.453 -21.072 -2.309 1.00 0.00 C ATOM 843 C LEU A 53 -12.051 -20.717 -2.806 1.00 0.00 C ATOM 844 O LEU A 53 -11.692 -19.560 -2.906 1.00 0.00 O ATOM 845 CB LEU A 53 -14.481 -20.714 -3.384 1.00 0.00 C ATOM 846 CG LEU A 53 -14.210 -21.542 -4.641 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.569 -23.005 -4.374 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.063 -21.010 -5.796 1.00 0.00 C ATOM 0 H LEU A 53 -13.659 -19.296 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.503 -22.140 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.489 -20.908 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.425 -19.651 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.155 -21.469 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.376 -23.596 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.963 -23.384 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.624 -23.079 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.870 -21.600 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.118 -21.084 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.808 -19.967 -5.986 1.00 0.00 H new ATOM 860 N ILE A 54 -11.256 -21.703 -3.119 1.00 0.00 N ATOM 861 CA ILE A 54 -9.879 -21.423 -3.612 1.00 0.00 C ATOM 862 C ILE A 54 -9.735 -21.943 -5.043 1.00 0.00 C ATOM 863 O ILE A 54 -9.964 -23.105 -5.316 1.00 0.00 O ATOM 864 CB ILE A 54 -8.860 -22.121 -2.709 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.059 -21.663 -1.263 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.446 -21.765 -3.167 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.119 -22.447 -0.345 1.00 0.00 C ATOM 0 H ILE A 54 -11.501 -22.691 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.699 -20.348 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.001 -23.200 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.860 -20.595 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.094 -21.819 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.719 -22.262 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.304 -22.093 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.305 -20.686 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.261 -22.121 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.340 -23.512 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.086 -22.268 -0.643 1.00 0.00 H new ATOM 879 N ASP A 55 -9.362 -21.093 -5.959 1.00 0.00 N ATOM 880 CA ASP A 55 -9.207 -21.541 -7.371 1.00 0.00 C ATOM 881 C ASP A 55 -7.775 -22.026 -7.602 1.00 0.00 C ATOM 882 O ASP A 55 -6.822 -21.417 -7.155 1.00 0.00 O ATOM 883 CB ASP A 55 -9.506 -20.372 -8.312 1.00 0.00 C ATOM 884 CG ASP A 55 -9.770 -20.907 -9.721 1.00 0.00 C ATOM 885 OD1 ASP A 55 -9.780 -22.118 -9.882 1.00 0.00 O ATOM 886 OD2 ASP A 55 -9.956 -20.099 -10.615 1.00 0.00 O ATOM 0 H ASP A 55 -9.158 -20.108 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.902 -22.357 -7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.372 -19.816 -7.954 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.665 -19.678 -8.326 1.00 0.00 H new ATOM 891 N ILE A 56 -7.614 -23.119 -8.298 1.00 0.00 N ATOM 892 CA ILE A 56 -6.245 -23.642 -8.560 1.00 0.00 C ATOM 893 C ILE A 56 -5.979 -23.630 -10.067 1.00 0.00 C ATOM 894 O ILE A 56 -6.777 -24.102 -10.851 1.00 0.00 O ATOM 895 CB ILE A 56 -6.138 -25.076 -8.034 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.453 -25.095 -6.537 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.718 -25.597 -8.262 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.391 -26.534 -6.022 1.00 0.00 C ATOM 0 H ILE A 56 -8.373 -23.672 -8.696 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.511 -23.015 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.848 -25.711 -8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.740 -24.473 -5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.443 -24.675 -6.357 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.641 -26.618 -7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.492 -25.583 -9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.008 -24.962 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.615 -26.549 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.121 -27.143 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.392 -26.937 -6.188 1.00 0.00 H new ATOM 910 N ILE A 57 -4.866 -23.090 -10.479 1.00 0.00 N ATOM 911 CA ILE A 57 -4.555 -23.046 -11.936 1.00 0.00 C ATOM 912 C ILE A 57 -3.373 -23.970 -12.239 1.00 0.00 C ATOM 913 O ILE A 57 -2.406 -24.018 -11.504 1.00 0.00 O ATOM 914 CB ILE A 57 -4.199 -21.614 -12.338 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.336 -20.672 -11.937 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.991 -21.546 -13.853 1.00 0.00 C ATOM 917 CD1 ILE A 57 -4.925 -19.226 -12.221 1.00 0.00 C ATOM 0 H ILE A 57 -4.159 -22.677 -9.871 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.426 -23.378 -12.501 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.282 -21.313 -11.831 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.241 -20.920 -12.492 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.568 -20.794 -10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.737 -20.526 -14.140 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.180 -22.216 -14.139 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.907 -21.848 -14.360 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.735 -18.555 -11.935 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.032 -18.982 -11.646 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.715 -19.110 -13.284 1.00 0.00 H new ATOM 929 N ASP A 58 -3.443 -24.701 -13.317 1.00 0.00 N ATOM 930 CA ASP A 58 -2.324 -25.619 -13.671 1.00 0.00 C ATOM 931 C ASP A 58 -1.998 -26.516 -12.474 1.00 0.00 C ATOM 932 O ASP A 58 -0.903 -26.491 -11.949 1.00 0.00 O ATOM 933 CB ASP A 58 -1.088 -24.797 -14.042 1.00 0.00 C ATOM 934 CG ASP A 58 -0.451 -25.378 -15.306 1.00 0.00 C ATOM 935 OD1 ASP A 58 -0.898 -25.028 -16.386 1.00 0.00 O ATOM 936 OD2 ASP A 58 0.473 -26.163 -15.172 1.00 0.00 O ATOM 0 H ASP A 58 -4.228 -24.702 -13.969 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.618 -26.238 -14.519 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.366 -23.756 -14.207 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.370 -24.809 -13.222 1.00 0.00 H new ATOM 941 N PRO A 59 -2.974 -27.326 -12.039 1.00 0.00 N ATOM 942 CA PRO A 59 -2.798 -28.239 -10.903 1.00 0.00 C ATOM 943 C PRO A 59 -1.858 -29.399 -11.246 1.00 0.00 C ATOM 944 O PRO A 59 -1.929 -29.976 -12.314 1.00 0.00 O ATOM 945 CB PRO A 59 -4.208 -28.771 -10.650 1.00 0.00 C ATOM 946 CG PRO A 59 -4.903 -28.635 -11.962 1.00 0.00 C ATOM 947 CD PRO A 59 -4.325 -27.414 -12.621 1.00 0.00 C ATOM 0 HA PRO A 59 -2.354 -27.739 -10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.186 -29.809 -10.319 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.714 -28.199 -9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.747 -29.520 -12.578 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.979 -28.529 -11.823 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.290 -27.520 -13.705 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.915 -26.523 -12.406 1.00 0.00 H new ATOM 955 N SER A 60 -0.975 -29.744 -10.349 1.00 0.00 N ATOM 956 CA SER A 60 -0.032 -30.865 -10.623 1.00 0.00 C ATOM 957 C SER A 60 -0.062 -31.853 -9.455 1.00 0.00 C ATOM 958 O SER A 60 -0.675 -31.604 -8.436 1.00 0.00 O ATOM 959 CB SER A 60 1.385 -30.309 -10.786 1.00 0.00 C ATOM 960 OG SER A 60 1.324 -28.904 -10.977 1.00 0.00 O ATOM 0 H SER A 60 -0.866 -29.298 -9.438 1.00 0.00 H new ATOM 0 HA SER A 60 -0.330 -31.376 -11.538 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.982 -30.541 -9.904 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.877 -30.781 -11.637 1.00 0.00 H new ATOM 0 HG SER A 60 1.219 -28.460 -10.110 1.00 0.00 H new ATOM 966 N PRO A 61 0.619 -32.998 -9.610 1.00 0.00 N ATOM 967 CA PRO A 61 0.675 -34.034 -8.571 1.00 0.00 C ATOM 968 C PRO A 61 1.455 -33.557 -7.343 1.00 0.00 C ATOM 969 O PRO A 61 1.247 -34.027 -6.241 1.00 0.00 O ATOM 970 CB PRO A 61 1.413 -35.186 -9.253 1.00 0.00 C ATOM 971 CG PRO A 61 2.217 -34.530 -10.324 1.00 0.00 C ATOM 972 CD PRO A 61 1.390 -33.374 -10.808 1.00 0.00 C ATOM 0 HA PRO A 61 -0.315 -34.307 -8.206 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.050 -35.721 -8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.716 -35.914 -9.669 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.178 -34.189 -9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.429 -35.226 -11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.012 -32.552 -11.163 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.739 -33.660 -11.634 1.00 0.00 H new ATOM 980 N LYS A 62 2.347 -32.622 -7.524 1.00 0.00 N ATOM 981 CA LYS A 62 3.133 -32.112 -6.367 1.00 0.00 C ATOM 982 C LYS A 62 2.177 -31.498 -5.344 1.00 0.00 C ATOM 983 O LYS A 62 2.462 -31.444 -4.164 1.00 0.00 O ATOM 984 CB LYS A 62 4.119 -31.046 -6.849 1.00 0.00 C ATOM 985 CG LYS A 62 5.100 -31.669 -7.844 1.00 0.00 C ATOM 986 CD LYS A 62 6.145 -30.627 -8.250 1.00 0.00 C ATOM 987 CE LYS A 62 7.047 -31.208 -9.340 1.00 0.00 C ATOM 988 NZ LYS A 62 7.672 -32.468 -8.849 1.00 0.00 N ATOM 0 H LYS A 62 2.565 -32.190 -8.422 1.00 0.00 H new ATOM 0 HA LYS A 62 3.685 -32.932 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.580 -30.224 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.661 -30.628 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.589 -32.534 -7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.565 -32.025 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.653 -29.725 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.742 -30.338 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.466 -31.405 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.819 -30.488 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.496 -32.699 -9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.977 -32.343 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.980 -33.242 -8.902 1.00 0.00 H new ATOM 1002 N THR A 63 1.039 -31.036 -5.788 1.00 0.00 N ATOM 1003 CA THR A 63 0.061 -30.428 -4.843 1.00 0.00 C ATOM 1004 C THR A 63 -0.574 -31.530 -3.993 1.00 0.00 C ATOM 1005 O THR A 63 -0.801 -31.363 -2.812 1.00 0.00 O ATOM 1006 CB THR A 63 -1.028 -29.700 -5.634 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.424 -28.775 -6.528 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.950 -28.954 -4.669 1.00 0.00 C ATOM 0 H THR A 63 0.745 -31.054 -6.765 1.00 0.00 H new ATOM 0 HA THR A 63 0.573 -29.717 -4.194 1.00 0.00 H new ATOM 0 HB THR A 63 -1.612 -30.425 -6.201 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.120 -28.309 -7.037 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.725 -28.436 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.413 -29.665 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.370 -28.228 -4.099 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.860 -32.657 -4.586 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.478 -33.769 -3.811 1.00 0.00 C ATOM 1018 C ILE A 64 -0.513 -34.218 -2.713 1.00 0.00 C ATOM 1019 O ILE A 64 -0.906 -34.461 -1.589 1.00 0.00 O ATOM 1020 CB ILE A 64 -1.769 -34.945 -4.746 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -2.714 -34.490 -5.860 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -2.424 -36.076 -3.953 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -2.814 -35.587 -6.923 1.00 0.00 C ATOM 0 H ILE A 64 -0.693 -32.855 -5.572 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.410 -33.425 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.836 -35.300 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.701 -34.275 -5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.347 -33.567 -6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.632 -36.914 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.751 -36.401 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.357 -35.721 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.487 -35.264 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.826 -35.780 -7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.200 -36.500 -6.469 1.00 0.00 H new ATOM 1035 N ASP A 65 0.749 -34.329 -3.029 1.00 0.00 N ATOM 1036 CA ASP A 65 1.738 -34.761 -2.002 1.00 0.00 C ATOM 1037 C ASP A 65 1.757 -33.745 -0.857 1.00 0.00 C ATOM 1038 O ASP A 65 1.783 -34.104 0.303 1.00 0.00 O ATOM 1039 CB ASP A 65 3.128 -34.846 -2.634 1.00 0.00 C ATOM 1040 CG ASP A 65 3.144 -35.962 -3.680 1.00 0.00 C ATOM 1041 OD1 ASP A 65 2.211 -36.748 -3.693 1.00 0.00 O ATOM 1042 OD2 ASP A 65 4.089 -36.012 -4.450 1.00 0.00 O ATOM 0 H ASP A 65 1.137 -34.139 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 65 1.457 -35.741 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.387 -33.894 -3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.877 -35.041 -1.867 1.00 0.00 H new ATOM 1047 N ALA A 66 1.743 -32.479 -1.175 1.00 0.00 N ATOM 1048 CA ALA A 66 1.758 -31.444 -0.103 1.00 0.00 C ATOM 1049 C ALA A 66 0.449 -31.512 0.686 1.00 0.00 C ATOM 1050 O ALA A 66 0.427 -31.338 1.889 1.00 0.00 O ATOM 1051 CB ALA A 66 1.903 -30.058 -0.733 1.00 0.00 C ATOM 0 H ALA A 66 1.722 -32.118 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 66 2.598 -31.626 0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.914 -29.301 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.835 -30.010 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.064 -29.874 -1.404 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.644 -31.767 0.019 1.00 0.00 N ATOM 1058 CA LEU A 67 -1.949 -31.849 0.732 1.00 0.00 C ATOM 1059 C LEU A 67 -1.916 -33.017 1.720 1.00 0.00 C ATOM 1060 O LEU A 67 -2.416 -32.923 2.824 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.072 -32.071 -0.285 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.421 -32.084 0.439 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.545 -30.831 1.306 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.551 -32.106 -0.592 1.00 0.00 C ATOM 0 H LEU A 67 -0.689 -31.922 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.128 -30.920 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.058 -31.281 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.920 -33.014 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.488 -32.970 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.505 -30.839 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.739 -30.815 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.479 -29.944 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.512 -32.115 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.485 -31.220 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.462 -32.999 -1.211 1.00 0.00 H new ATOM 1076 N MET A 68 -1.328 -34.115 1.334 1.00 0.00 N ATOM 1077 CA MET A 68 -1.261 -35.287 2.251 1.00 0.00 C ATOM 1078 C MET A 68 -0.338 -34.959 3.427 1.00 0.00 C ATOM 1079 O MET A 68 -0.534 -35.426 4.531 1.00 0.00 O ATOM 1080 CB MET A 68 -0.712 -36.497 1.493 1.00 0.00 C ATOM 1081 CG MET A 68 -1.778 -37.025 0.532 1.00 0.00 C ATOM 1082 SD MET A 68 -1.188 -38.550 -0.245 1.00 0.00 S ATOM 1083 CE MET A 68 0.342 -37.877 -0.935 1.00 0.00 C ATOM 0 H MET A 68 -0.891 -34.251 0.423 1.00 0.00 H new ATOM 0 HA MET A 68 -2.259 -35.516 2.624 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.184 -36.217 0.940 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.422 -37.278 2.195 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.707 -37.214 1.070 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.998 -36.277 -0.230 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.740 -38.567 -1.679 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.137 -36.915 -1.405 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.072 -37.742 -0.137 1.00 0.00 H new ATOM 1093 N ARG A 69 0.667 -34.158 3.198 1.00 0.00 N ATOM 1094 CA ARG A 69 1.601 -33.800 4.303 1.00 0.00 C ATOM 1095 C ARG A 69 0.914 -32.819 5.255 1.00 0.00 C ATOM 1096 O ARG A 69 1.203 -32.777 6.434 1.00 0.00 O ATOM 1097 CB ARG A 69 2.857 -33.150 3.719 1.00 0.00 C ATOM 1098 CG ARG A 69 3.628 -34.183 2.893 1.00 0.00 C ATOM 1099 CD ARG A 69 4.933 -33.564 2.389 1.00 0.00 C ATOM 1100 NE ARG A 69 5.601 -34.512 1.455 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.019 -35.670 1.887 1.00 0.00 C ATOM 1102 NH1 ARG A 69 6.108 -35.894 3.169 1.00 0.00 N ATOM 1103 NH2 ARG A 69 6.348 -36.605 1.038 1.00 0.00 N ATOM 0 H ARG A 69 0.881 -33.736 2.294 1.00 0.00 H new ATOM 0 HA ARG A 69 1.879 -34.701 4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.583 -32.300 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.487 -32.766 4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.841 -35.063 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.022 -34.516 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.729 -32.620 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.590 -33.340 3.229 1.00 0.00 H new ATOM 0 HE ARG A 69 5.732 -34.256 0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.851 -35.164 3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.435 -36.799 3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.279 -36.431 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.675 -37.510 1.377 1.00 0.00 H new ATOM 1117 N ILE A 70 0.004 -32.029 4.753 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.701 -31.052 5.630 1.00 0.00 C ATOM 1119 C ILE A 70 -2.153 -31.495 5.823 1.00 0.00 C ATOM 1120 O ILE A 70 -2.821 -31.886 4.886 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.671 -29.668 4.982 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.778 -29.256 4.723 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.330 -28.652 5.917 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.803 -27.948 3.928 1.00 0.00 C ATOM 0 H ILE A 70 -0.281 -32.018 3.774 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.203 -31.009 6.598 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.214 -29.699 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.306 -29.129 5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.297 -30.040 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.309 -27.665 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.364 -28.944 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.788 -28.622 6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.836 -27.654 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.291 -28.091 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.300 -27.166 4.497 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.646 -31.440 7.030 1.00 0.00 N ATOM 1137 CA ASN A 71 -4.054 -31.859 7.279 1.00 0.00 C ATOM 1138 C ASN A 71 -4.900 -30.632 7.624 1.00 0.00 C ATOM 1139 O ASN A 71 -4.476 -29.758 8.353 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.092 -32.847 8.449 1.00 0.00 C ATOM 1141 CG ASN A 71 -3.320 -34.112 8.072 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -3.073 -34.364 6.909 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -2.924 -34.924 9.014 1.00 0.00 N ATOM 0 H ASN A 71 -2.135 -31.123 7.854 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.454 -32.336 6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.654 -32.392 9.338 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.124 -33.097 8.694 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.407 -35.770 8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.131 -34.713 9.990 1.00 0.00 H new ATOM 1150 N LEU A 72 -6.094 -30.559 7.103 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.966 -29.388 7.401 1.00 0.00 C ATOM 1152 C LEU A 72 -7.246 -29.332 8.904 1.00 0.00 C ATOM 1153 O LEU A 72 -7.267 -30.341 9.579 1.00 0.00 O ATOM 1154 CB LEU A 72 -8.286 -29.529 6.641 1.00 0.00 C ATOM 1155 CG LEU A 72 -8.994 -30.811 7.081 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -10.118 -30.463 8.060 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -9.583 -31.515 5.857 1.00 0.00 C ATOM 0 H LEU A 72 -6.503 -31.259 6.484 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.464 -28.472 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.922 -28.665 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.099 -29.554 5.567 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.278 -31.472 7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.623 -31.377 8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.698 -29.962 8.933 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.834 -29.802 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.088 -32.429 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.299 -30.855 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.783 -31.763 5.160 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.467 -28.119 9.433 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.749 -27.916 10.860 1.00 0.00 C ATOM 1171 C PRO A 73 -9.130 -28.453 11.249 1.00 0.00 C ATOM 1172 O PRO A 73 -10.059 -28.430 10.466 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.715 -26.397 11.019 1.00 0.00 C ATOM 1174 CG PRO A 73 -8.037 -25.870 9.662 1.00 0.00 C ATOM 1175 CD PRO A 73 -7.460 -26.852 8.682 1.00 0.00 C ATOM 0 HA PRO A 73 -7.036 -28.440 11.496 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.441 -26.059 11.758 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.736 -26.055 11.355 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.114 -25.774 9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.608 -24.878 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.062 -26.918 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.452 -26.571 8.376 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.272 -28.935 12.454 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.592 -29.472 12.890 1.00 0.00 C ATOM 1185 C ALA A 74 -11.653 -28.376 12.768 1.00 0.00 C ATOM 1186 O ALA A 74 -11.377 -27.208 12.954 1.00 0.00 O ATOM 1187 CB ALA A 74 -10.499 -29.932 14.346 1.00 0.00 C ATOM 0 H ALA A 74 -8.532 -28.980 13.154 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.868 -30.317 12.259 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.464 -30.325 14.666 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.743 -30.712 14.434 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.224 -29.087 14.978 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.865 -28.745 12.456 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.943 -27.725 12.322 1.00 0.00 C ATOM 1195 C GLY A 75 -13.999 -27.226 10.875 1.00 0.00 C ATOM 1196 O GLY A 75 -14.731 -26.312 10.554 1.00 0.00 O ATOM 0 H GLY A 75 -13.155 -29.708 12.288 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.903 -28.156 12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.755 -26.891 12.998 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.231 -27.818 10.001 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.244 -27.374 8.579 1.00 0.00 C ATOM 1202 C VAL A 76 -13.475 -28.582 7.668 1.00 0.00 C ATOM 1203 O VAL A 76 -13.073 -29.687 7.975 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.902 -26.724 8.234 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -11.944 -26.198 6.798 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.634 -25.564 9.195 1.00 0.00 C ATOM 0 H VAL A 76 -12.596 -28.589 10.210 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.046 -26.651 8.433 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.106 -27.463 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.988 -25.735 6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.134 -27.025 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.740 -25.459 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.678 -25.101 8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.429 -24.824 9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.603 -25.939 10.218 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.118 -28.380 6.551 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.372 -29.517 5.622 1.00 0.00 C ATOM 1218 C ASP A 77 -14.129 -29.063 4.182 1.00 0.00 C ATOM 1219 O ASP A 77 -14.262 -27.900 3.858 1.00 0.00 O ATOM 1220 CB ASP A 77 -15.821 -29.986 5.770 1.00 0.00 C ATOM 1221 CG ASP A 77 -16.091 -31.128 4.789 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -15.139 -31.784 4.398 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -17.244 -31.327 4.445 1.00 0.00 O ATOM 0 H ASP A 77 -14.478 -27.477 6.242 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.698 -30.339 5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.004 -30.319 6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.504 -29.158 5.578 1.00 0.00 H new