USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 686 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 -88:sc= 1.1 USER MOD Set 1.2: A 35 SER OG : rot -56:sc= 0.378 USER MOD Set 1.3: A 60 SER OG : rot -66:sc= 0.448 USER MOD Set 1.4: A 63 THR OG1 : rot -66:sc= 0.00072 USER MOD Set 2.1: A 45 THR OG1 : rot -114:sc= 1.24 USER MOD Set 2.2: A 50 HIS :FLIP no HD1:sc= -1.97! C(o=-3.9!,f=-0.73!) USER MOD Single : A 1 SER N :NH3+ -172:sc= -0.0641 (180deg=-0.251) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.115) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= 0.0712 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -5.85! C(o=-5.9!,f=-6.3!) USER MOD Single : A 22 SER OG : rot -46:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ -103:sc= -0.0847 (180deg=-0.798) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= -1.16 (180deg=-1.25) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -49:sc= 0.898 USER MOD Single : A 34 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0823) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= -0.0287 (180deg=-0.174) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -165:sc= -1.52 (180deg=-2.34!) USER MOD Single : A 71 ASN : amide:sc=-0.00299 K(o=-0.003,f=-1.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.030 -31.457 -19.663 1.00 0.00 N ATOM 2 CA SER A 1 1.093 -30.759 -18.886 1.00 0.00 C ATOM 3 C SER A 1 0.854 -29.249 -18.938 1.00 0.00 C ATOM 4 O SER A 1 1.355 -28.503 -18.119 1.00 0.00 O ATOM 5 CB SER A 1 2.460 -31.079 -19.493 1.00 0.00 C ATOM 6 OG SER A 1 3.348 -31.496 -18.466 1.00 0.00 O ATOM 0 H1 SER A 1 0.111 -32.484 -19.518 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.905 -31.134 -19.340 1.00 0.00 H new ATOM 0 H3 SER A 1 0.141 -31.241 -20.674 1.00 0.00 H new ATOM 0 HA SER A 1 1.067 -31.096 -17.850 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.362 -31.863 -20.244 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.860 -30.200 -19.999 1.00 0.00 H new ATOM 0 HG SER A 1 4.224 -31.703 -18.855 1.00 0.00 H new ATOM 14 N MET A 2 0.091 -28.792 -19.893 1.00 0.00 N ATOM 15 CA MET A 2 -0.180 -27.330 -19.995 1.00 0.00 C ATOM 16 C MET A 2 -0.841 -26.842 -18.705 1.00 0.00 C ATOM 17 O MET A 2 -0.603 -25.740 -18.252 1.00 0.00 O ATOM 18 CB MET A 2 -1.113 -27.066 -21.178 1.00 0.00 C ATOM 19 CG MET A 2 -0.400 -27.425 -22.483 1.00 0.00 C ATOM 20 SD MET A 2 -1.450 -26.980 -23.888 1.00 0.00 S ATOM 21 CE MET A 2 -0.381 -27.643 -25.189 1.00 0.00 C ATOM 0 H MET A 2 -0.356 -29.367 -20.607 1.00 0.00 H new ATOM 0 HA MET A 2 0.758 -26.796 -20.146 1.00 0.00 H new ATOM 0 HB2 MET A 2 -2.024 -27.656 -21.075 1.00 0.00 H new ATOM 0 HB3 MET A 2 -1.412 -26.018 -21.192 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.552 -26.898 -22.546 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.177 -28.492 -22.506 1.00 0.00 H new ATOM 0 HE1 MET A 2 -0.844 -27.474 -26.161 1.00 0.00 H new ATOM 0 HE2 MET A 2 0.586 -27.142 -25.156 1.00 0.00 H new ATOM 0 HE3 MET A 2 -0.241 -28.713 -25.035 1.00 0.00 H new ATOM 31 N GLY A 3 -1.671 -27.654 -18.109 1.00 0.00 N ATOM 32 CA GLY A 3 -2.347 -27.235 -16.850 1.00 0.00 C ATOM 33 C GLY A 3 -3.563 -26.370 -17.187 1.00 0.00 C ATOM 34 O GLY A 3 -4.054 -25.624 -16.363 1.00 0.00 O ATOM 0 H GLY A 3 -1.910 -28.589 -18.440 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.657 -28.112 -16.282 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.654 -26.677 -16.221 1.00 0.00 H new ATOM 38 N GLY A 4 -4.053 -26.465 -18.393 1.00 0.00 N ATOM 39 CA GLY A 4 -5.237 -25.649 -18.783 1.00 0.00 C ATOM 40 C GLY A 4 -6.394 -25.937 -17.823 1.00 0.00 C ATOM 41 O GLY A 4 -7.238 -25.098 -17.584 1.00 0.00 O ATOM 0 H GLY A 4 -3.684 -27.072 -19.125 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.985 -24.589 -18.758 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.532 -25.883 -19.806 1.00 0.00 H new ATOM 45 N GLN A 5 -6.440 -27.119 -17.274 1.00 0.00 N ATOM 46 CA GLN A 5 -7.541 -27.461 -16.331 1.00 0.00 C ATOM 47 C GLN A 5 -7.318 -26.735 -15.002 1.00 0.00 C ATOM 48 O GLN A 5 -6.198 -26.526 -14.579 1.00 0.00 O ATOM 49 CB GLN A 5 -7.559 -28.971 -16.091 1.00 0.00 C ATOM 50 CG GLN A 5 -7.734 -29.698 -17.426 1.00 0.00 C ATOM 51 CD GLN A 5 -9.057 -29.276 -18.067 1.00 0.00 C ATOM 52 OE1 GLN A 5 -10.091 -29.304 -17.430 1.00 0.00 O ATOM 53 NE2 GLN A 5 -9.068 -28.882 -19.312 1.00 0.00 N ATOM 0 H GLN A 5 -5.762 -27.863 -17.438 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.494 -27.151 -16.759 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.631 -29.285 -15.613 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.371 -29.233 -15.413 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.904 -29.463 -18.092 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.721 -30.777 -17.269 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.200 -28.858 -19.847 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.945 -28.598 -19.749 1.00 0.00 H new ATOM 62 N LYS A 6 -8.374 -26.348 -14.342 1.00 0.00 N ATOM 63 CA LYS A 6 -8.220 -25.634 -13.042 1.00 0.00 C ATOM 64 C LYS A 6 -9.012 -26.370 -11.959 1.00 0.00 C ATOM 65 O LYS A 6 -10.057 -26.934 -12.215 1.00 0.00 O ATOM 66 CB LYS A 6 -8.750 -24.206 -13.179 1.00 0.00 C ATOM 67 CG LYS A 6 -10.268 -24.240 -13.370 1.00 0.00 C ATOM 68 CD LYS A 6 -10.779 -22.825 -13.645 1.00 0.00 C ATOM 69 CE LYS A 6 -12.303 -22.798 -13.507 1.00 0.00 C ATOM 70 NZ LYS A 6 -12.737 -21.448 -13.051 1.00 0.00 N ATOM 0 H LYS A 6 -9.337 -26.495 -14.646 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.166 -25.606 -12.766 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.498 -23.627 -12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.277 -23.711 -14.027 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.526 -24.899 -14.199 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.748 -24.645 -12.479 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.327 -22.121 -12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.488 -22.510 -14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.770 -23.038 -14.462 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.628 -23.556 -12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.773 -21.430 -12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.302 -21.236 -12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.440 -20.734 -13.747 1.00 0.00 H new ATOM 84 N ILE A 7 -8.524 -26.367 -10.748 1.00 0.00 N ATOM 85 CA ILE A 7 -9.250 -27.064 -9.650 1.00 0.00 C ATOM 86 C ILE A 7 -9.754 -26.032 -8.638 1.00 0.00 C ATOM 87 O ILE A 7 -9.085 -25.062 -8.341 1.00 0.00 O ATOM 88 CB ILE A 7 -8.301 -28.042 -8.952 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.751 -29.037 -9.975 1.00 0.00 C ATOM 90 CG2 ILE A 7 -9.062 -28.800 -7.862 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.700 -29.926 -9.309 1.00 0.00 C ATOM 0 H ILE A 7 -7.654 -25.912 -10.472 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.097 -27.612 -10.063 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.476 -27.490 -8.503 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.560 -29.649 -10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.310 -28.503 -10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.387 -29.497 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.455 -28.092 -7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.887 -29.353 -8.311 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.308 -30.635 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.886 -29.307 -8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.155 -30.471 -8.482 1.00 0.00 H new ATOM 103 N ARG A 8 -10.930 -26.232 -8.108 1.00 0.00 N ATOM 104 CA ARG A 8 -11.474 -25.261 -7.118 1.00 0.00 C ATOM 105 C ARG A 8 -11.768 -25.982 -5.800 1.00 0.00 C ATOM 106 O ARG A 8 -12.309 -27.070 -5.785 1.00 0.00 O ATOM 107 CB ARG A 8 -12.765 -24.649 -7.663 1.00 0.00 C ATOM 108 CG ARG A 8 -12.448 -23.798 -8.894 1.00 0.00 C ATOM 109 CD ARG A 8 -13.715 -23.078 -9.358 1.00 0.00 C ATOM 110 NE ARG A 8 -14.794 -24.078 -9.601 1.00 0.00 N ATOM 111 CZ ARG A 8 -15.042 -24.488 -10.814 1.00 0.00 C ATOM 112 NH1 ARG A 8 -15.855 -23.813 -11.578 1.00 0.00 N ATOM 113 NH2 ARG A 8 -14.477 -25.576 -11.264 1.00 0.00 N ATOM 0 H ARG A 8 -11.536 -27.025 -8.318 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.742 -24.473 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.471 -25.437 -7.925 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.241 -24.036 -6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.671 -23.072 -8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.061 -24.428 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.034 -22.359 -8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.513 -22.516 -10.270 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.338 -24.441 -8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.298 -22.964 -11.227 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.048 -24.134 -12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.842 -26.105 -10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.671 -25.897 -12.213 1.00 0.00 H new ATOM 127 N ILE A 9 -11.416 -25.384 -4.696 1.00 0.00 N ATOM 128 CA ILE A 9 -11.676 -26.035 -3.380 1.00 0.00 C ATOM 129 C ILE A 9 -12.687 -25.202 -2.592 1.00 0.00 C ATOM 130 O ILE A 9 -12.644 -23.987 -2.597 1.00 0.00 O ATOM 131 CB ILE A 9 -10.368 -26.131 -2.592 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.331 -26.901 -3.413 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.621 -26.866 -1.274 1.00 0.00 C ATOM 134 CD1 ILE A 9 -7.992 -26.900 -2.673 1.00 0.00 C ATOM 0 H ILE A 9 -10.960 -24.473 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.077 -27.036 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.995 -25.128 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.668 -27.925 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.216 -26.443 -4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.690 -26.935 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.359 -26.319 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.994 -27.869 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.253 -27.448 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.655 -25.873 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.113 -27.378 -1.701 1.00 0.00 H new ATOM 146 N LYS A 10 -13.600 -25.843 -1.914 1.00 0.00 N ATOM 147 CA LYS A 10 -14.612 -25.085 -1.126 1.00 0.00 C ATOM 148 C LYS A 10 -14.319 -25.237 0.367 1.00 0.00 C ATOM 149 O LYS A 10 -14.225 -26.334 0.882 1.00 0.00 O ATOM 150 CB LYS A 10 -16.009 -25.631 -1.428 1.00 0.00 C ATOM 151 CG LYS A 10 -17.063 -24.682 -0.856 1.00 0.00 C ATOM 152 CD LYS A 10 -18.458 -25.258 -1.106 1.00 0.00 C ATOM 153 CE LYS A 10 -19.515 -24.232 -0.692 1.00 0.00 C ATOM 154 NZ LYS A 10 -20.128 -23.631 -1.911 1.00 0.00 N ATOM 0 H LYS A 10 -13.688 -26.858 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.566 -24.031 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.145 -25.736 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.125 -26.624 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.901 -24.544 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.975 -23.700 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.575 -25.512 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.589 -26.180 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.283 -24.710 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.061 -23.454 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.366 -22.636 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.454 -23.684 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.993 -24.153 -2.158 1.00 0.00 H new ATOM 168 N LEU A 11 -14.177 -24.145 1.067 1.00 0.00 N ATOM 169 CA LEU A 11 -13.894 -24.229 2.527 1.00 0.00 C ATOM 170 C LEU A 11 -15.191 -24.017 3.308 1.00 0.00 C ATOM 171 O LEU A 11 -15.972 -23.137 3.005 1.00 0.00 O ATOM 172 CB LEU A 11 -12.883 -23.147 2.914 1.00 0.00 C ATOM 173 CG LEU A 11 -11.633 -23.280 2.043 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.569 -22.290 2.523 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.088 -24.706 2.148 1.00 0.00 C ATOM 0 H LEU A 11 -14.245 -23.199 0.691 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.483 -25.211 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.325 -22.159 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.617 -23.243 3.967 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.888 -23.064 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.678 -22.384 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.957 -21.274 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.313 -22.505 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.197 -24.802 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.833 -24.922 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.846 -25.411 1.806 1.00 0.00 H new ATOM 187 N LYS A 12 -15.431 -24.820 4.308 1.00 0.00 N ATOM 188 CA LYS A 12 -16.681 -24.663 5.104 1.00 0.00 C ATOM 189 C LYS A 12 -16.340 -24.645 6.595 1.00 0.00 C ATOM 190 O LYS A 12 -15.592 -25.470 7.080 1.00 0.00 O ATOM 191 CB LYS A 12 -17.623 -25.833 4.808 1.00 0.00 C ATOM 192 CG LYS A 12 -18.020 -25.806 3.330 1.00 0.00 C ATOM 193 CD LYS A 12 -19.103 -26.854 3.075 1.00 0.00 C ATOM 194 CE LYS A 12 -19.436 -26.890 1.581 1.00 0.00 C ATOM 195 NZ LYS A 12 -20.609 -27.780 1.354 1.00 0.00 N ATOM 0 H LYS A 12 -14.817 -25.577 4.608 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.169 -23.726 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.134 -26.777 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.512 -25.766 5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.386 -24.816 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.150 -26.007 2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.761 -27.834 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.997 -26.617 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -19.654 -25.884 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.577 -27.251 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.594 -28.131 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.566 -28.585 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.487 -27.246 1.517 1.00 0.00 H new ATOM 209 N ALA A 13 -16.883 -23.710 7.326 1.00 0.00 N ATOM 210 CA ALA A 13 -16.590 -23.640 8.785 1.00 0.00 C ATOM 211 C ALA A 13 -17.513 -22.610 9.440 1.00 0.00 C ATOM 212 O ALA A 13 -17.941 -21.659 8.816 1.00 0.00 O ATOM 213 CB ALA A 13 -15.133 -23.223 8.992 1.00 0.00 C ATOM 0 H ALA A 13 -17.517 -22.992 6.976 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.756 -24.618 9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.917 -23.171 10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.475 -23.955 8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.967 -22.245 8.541 1.00 0.00 H new ATOM 219 N TYR A 14 -17.826 -22.792 10.694 1.00 0.00 N ATOM 220 CA TYR A 14 -18.721 -21.824 11.387 1.00 0.00 C ATOM 221 C TYR A 14 -17.955 -20.528 11.663 1.00 0.00 C ATOM 222 O TYR A 14 -18.518 -19.452 11.661 1.00 0.00 O ATOM 223 CB TYR A 14 -19.196 -22.427 12.711 1.00 0.00 C ATOM 224 CG TYR A 14 -20.056 -23.636 12.432 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.403 -23.474 12.087 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.506 -24.920 12.518 1.00 0.00 C ATOM 227 CE1 TYR A 14 -22.199 -24.594 11.828 1.00 0.00 C ATOM 228 CE2 TYR A 14 -20.302 -26.042 12.259 1.00 0.00 C ATOM 229 CZ TYR A 14 -21.650 -25.879 11.914 1.00 0.00 C ATOM 230 OH TYR A 14 -22.435 -26.985 11.658 1.00 0.00 O ATOM 0 H TYR A 14 -17.500 -23.570 11.268 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.583 -21.609 10.755 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.339 -22.710 13.322 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.762 -21.688 13.278 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.828 -22.483 12.021 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.467 -25.045 12.784 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.238 -24.468 11.561 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -19.877 -27.033 12.325 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.898 -27.798 11.761 1.00 0.00 H new ATOM 240 N ASP A 15 -16.675 -20.623 11.899 1.00 0.00 N ATOM 241 CA ASP A 15 -15.875 -19.396 12.174 1.00 0.00 C ATOM 242 C ASP A 15 -15.314 -18.847 10.861 1.00 0.00 C ATOM 243 O ASP A 15 -14.417 -19.417 10.271 1.00 0.00 O ATOM 244 CB ASP A 15 -14.722 -19.740 13.117 1.00 0.00 C ATOM 245 CG ASP A 15 -15.279 -20.079 14.501 1.00 0.00 C ATOM 246 OD1 ASP A 15 -16.454 -19.834 14.723 1.00 0.00 O ATOM 247 OD2 ASP A 15 -14.521 -20.578 15.317 1.00 0.00 O ATOM 0 H ASP A 15 -16.149 -21.497 11.913 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.512 -18.644 12.639 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.156 -20.585 12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.032 -18.899 13.187 1.00 0.00 H new ATOM 252 N HIS A 16 -15.835 -17.745 10.397 1.00 0.00 N ATOM 253 CA HIS A 16 -15.331 -17.160 9.123 1.00 0.00 C ATOM 254 C HIS A 16 -13.836 -16.862 9.255 1.00 0.00 C ATOM 255 O HIS A 16 -13.049 -17.189 8.388 1.00 0.00 O ATOM 256 CB HIS A 16 -16.085 -15.864 8.824 1.00 0.00 C ATOM 257 CG HIS A 16 -15.529 -15.236 7.576 1.00 0.00 C ATOM 258 ND1 HIS A 16 -14.741 -14.097 7.609 1.00 0.00 N ATOM 259 CD2 HIS A 16 -15.639 -15.578 6.250 1.00 0.00 C ATOM 260 CE1 HIS A 16 -14.410 -13.795 6.340 1.00 0.00 C ATOM 261 NE2 HIS A 16 -14.931 -14.666 5.472 1.00 0.00 N ATOM 0 H HIS A 16 -16.589 -17.224 10.845 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.490 -17.868 8.310 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -17.148 -16.070 8.698 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -15.992 -15.175 9.663 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.190 -16.425 5.869 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.798 -12.951 6.058 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.832 -14.664 4.457 1.00 0.00 H new ATOM 269 N GLU A 17 -13.438 -16.244 10.333 1.00 0.00 N ATOM 270 CA GLU A 17 -11.994 -15.927 10.519 1.00 0.00 C ATOM 271 C GLU A 17 -11.181 -17.222 10.497 1.00 0.00 C ATOM 272 O GLU A 17 -10.153 -17.311 9.855 1.00 0.00 O ATOM 273 CB GLU A 17 -11.795 -15.221 11.862 1.00 0.00 C ATOM 274 CG GLU A 17 -12.544 -13.888 11.853 1.00 0.00 C ATOM 275 CD GLU A 17 -12.222 -13.114 13.133 1.00 0.00 C ATOM 276 OE1 GLU A 17 -11.622 -13.698 14.021 1.00 0.00 O ATOM 277 OE2 GLU A 17 -12.583 -11.951 13.205 1.00 0.00 O ATOM 0 H GLU A 17 -14.050 -15.945 11.092 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.659 -15.274 9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.161 -15.850 12.673 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.733 -15.053 12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.257 -13.303 10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.618 -14.062 11.781 1.00 0.00 H new ATOM 284 N LEU A 18 -11.633 -18.230 11.193 1.00 0.00 N ATOM 285 CA LEU A 18 -10.886 -19.519 11.211 1.00 0.00 C ATOM 286 C LEU A 18 -10.841 -20.102 9.798 1.00 0.00 C ATOM 287 O LEU A 18 -9.847 -20.662 9.378 1.00 0.00 O ATOM 288 CB LEU A 18 -11.591 -20.503 12.146 1.00 0.00 C ATOM 289 CG LEU A 18 -10.746 -21.772 12.281 1.00 0.00 C ATOM 290 CD1 LEU A 18 -9.513 -21.475 13.138 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.579 -22.868 12.950 1.00 0.00 C ATOM 0 H LEU A 18 -12.487 -18.216 11.750 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.870 -19.345 11.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.741 -20.047 13.125 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.578 -20.750 11.754 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.430 -22.106 11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.911 -22.378 13.235 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.920 -20.693 12.664 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.829 -21.142 14.127 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.979 -23.773 13.047 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.894 -22.533 13.938 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.458 -23.079 12.341 1.00 0.00 H new ATOM 303 N LEU A 19 -11.909 -19.977 9.059 1.00 0.00 N ATOM 304 CA LEU A 19 -11.926 -20.524 7.674 1.00 0.00 C ATOM 305 C LEU A 19 -10.790 -19.897 6.863 1.00 0.00 C ATOM 306 O LEU A 19 -10.152 -20.551 6.061 1.00 0.00 O ATOM 307 CB LEU A 19 -13.265 -20.194 7.011 1.00 0.00 C ATOM 308 CG LEU A 19 -13.455 -21.075 5.777 1.00 0.00 C ATOM 309 CD1 LEU A 19 -13.305 -22.546 6.171 1.00 0.00 C ATOM 310 CD2 LEU A 19 -14.850 -20.843 5.194 1.00 0.00 C ATOM 0 H LEU A 19 -12.771 -19.519 9.355 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.794 -21.605 7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.081 -20.356 7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.293 -19.142 6.727 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.702 -20.821 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.441 -23.174 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.311 -22.712 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.057 -22.801 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.986 -21.471 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.603 -21.096 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.957 -19.796 4.912 1.00 0.00 H new ATOM 322 N ASP A 20 -10.531 -18.634 7.065 1.00 0.00 N ATOM 323 CA ASP A 20 -9.437 -17.967 6.306 1.00 0.00 C ATOM 324 C ASP A 20 -8.092 -18.584 6.697 1.00 0.00 C ATOM 325 O ASP A 20 -7.232 -18.800 5.866 1.00 0.00 O ATOM 326 CB ASP A 20 -9.425 -16.473 6.633 1.00 0.00 C ATOM 327 CG ASP A 20 -8.549 -15.734 5.620 1.00 0.00 C ATOM 328 OD1 ASP A 20 -8.066 -16.379 4.703 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.374 -14.538 5.778 1.00 0.00 O ATOM 0 H ASP A 20 -11.030 -18.036 7.723 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.603 -18.104 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.440 -16.077 6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.045 -16.314 7.642 1.00 0.00 H new ATOM 334 N GLU A 21 -7.903 -18.870 7.956 1.00 0.00 N ATOM 335 CA GLU A 21 -6.614 -19.473 8.396 1.00 0.00 C ATOM 336 C GLU A 21 -6.387 -20.792 7.655 1.00 0.00 C ATOM 337 O GLU A 21 -5.289 -21.097 7.233 1.00 0.00 O ATOM 338 CB GLU A 21 -6.663 -19.736 9.903 1.00 0.00 C ATOM 339 CG GLU A 21 -5.289 -20.209 10.383 1.00 0.00 C ATOM 340 CD GLU A 21 -5.356 -20.540 11.875 1.00 0.00 C ATOM 341 OE1 GLU A 21 -6.429 -20.417 12.441 1.00 0.00 O ATOM 342 OE2 GLU A 21 -4.333 -20.908 12.426 1.00 0.00 O ATOM 0 H GLU A 21 -8.585 -18.712 8.698 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.797 -18.787 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.952 -18.828 10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.418 -20.490 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.977 -21.088 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.543 -19.434 10.205 1.00 0.00 H new ATOM 349 N SER A 22 -7.416 -21.578 7.495 1.00 0.00 N ATOM 350 CA SER A 22 -7.257 -22.876 6.781 1.00 0.00 C ATOM 351 C SER A 22 -6.953 -22.614 5.306 1.00 0.00 C ATOM 352 O SER A 22 -6.221 -23.348 4.672 1.00 0.00 O ATOM 353 CB SER A 22 -8.551 -23.685 6.899 1.00 0.00 C ATOM 354 OG SER A 22 -9.574 -23.055 6.142 1.00 0.00 O ATOM 0 H SER A 22 -8.359 -21.378 7.828 1.00 0.00 H new ATOM 0 HA SER A 22 -6.435 -23.437 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.391 -24.701 6.539 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.851 -23.760 7.944 1.00 0.00 H new ATOM 0 HG SER A 22 -9.570 -22.092 6.324 1.00 0.00 H new ATOM 360 N ALA A 23 -7.509 -21.571 4.753 1.00 0.00 N ATOM 361 CA ALA A 23 -7.251 -21.263 3.317 1.00 0.00 C ATOM 362 C ALA A 23 -5.813 -20.767 3.152 1.00 0.00 C ATOM 363 O ALA A 23 -5.123 -21.133 2.221 1.00 0.00 O ATOM 364 CB ALA A 23 -8.221 -20.177 2.846 1.00 0.00 C ATOM 0 H ALA A 23 -8.130 -20.919 5.232 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.396 -22.164 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.033 -19.951 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.246 -20.529 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.076 -19.276 3.442 1.00 0.00 H new ATOM 370 N LYS A 24 -5.355 -19.936 4.047 1.00 0.00 N ATOM 371 CA LYS A 24 -3.963 -19.418 3.940 1.00 0.00 C ATOM 372 C LYS A 24 -2.977 -20.586 3.996 1.00 0.00 C ATOM 373 O LYS A 24 -2.027 -20.647 3.240 1.00 0.00 O ATOM 374 CB LYS A 24 -3.685 -18.459 5.101 1.00 0.00 C ATOM 375 CG LYS A 24 -2.301 -17.830 4.923 1.00 0.00 C ATOM 376 CD LYS A 24 -2.062 -16.802 6.032 1.00 0.00 C ATOM 377 CE LYS A 24 -1.916 -17.525 7.373 1.00 0.00 C ATOM 378 NZ LYS A 24 -3.206 -17.453 8.117 1.00 0.00 N ATOM 0 H LYS A 24 -5.885 -19.593 4.848 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.845 -18.889 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.448 -17.681 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.734 -18.995 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.532 -18.602 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.230 -17.351 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.163 -16.223 5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.892 -16.097 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.636 -18.565 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.119 -17.069 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.135 -16.734 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.971 -17.196 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.413 -18.379 8.544 1.00 0.00 H new ATOM 392 N LYS A 25 -3.193 -21.515 4.886 1.00 0.00 N ATOM 393 CA LYS A 25 -2.268 -22.679 4.990 1.00 0.00 C ATOM 394 C LYS A 25 -2.235 -23.426 3.655 1.00 0.00 C ATOM 395 O LYS A 25 -1.184 -23.727 3.127 1.00 0.00 O ATOM 396 CB LYS A 25 -2.756 -23.623 6.090 1.00 0.00 C ATOM 397 CG LYS A 25 -1.714 -24.719 6.321 1.00 0.00 C ATOM 398 CD LYS A 25 -2.204 -25.664 7.421 1.00 0.00 C ATOM 399 CE LYS A 25 -1.093 -26.655 7.774 1.00 0.00 C ATOM 400 NZ LYS A 25 -1.692 -27.885 8.364 1.00 0.00 N ATOM 0 H LYS A 25 -3.971 -21.519 5.546 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.266 -22.325 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.925 -23.067 7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.710 -24.067 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.544 -25.274 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.760 -24.275 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.491 -25.093 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.092 -26.201 7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.521 -26.909 6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.398 -26.202 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.941 -28.579 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.177 -27.644 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.377 -28.293 7.696 1.00 0.00 H new ATOM 414 N ILE A 26 -3.380 -23.728 3.106 1.00 0.00 N ATOM 415 CA ILE A 26 -3.413 -24.456 1.806 1.00 0.00 C ATOM 416 C ILE A 26 -2.844 -23.561 0.703 1.00 0.00 C ATOM 417 O ILE A 26 -2.128 -24.013 -0.169 1.00 0.00 O ATOM 418 CB ILE A 26 -4.859 -24.825 1.465 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.465 -25.628 2.619 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.882 -25.668 0.189 1.00 0.00 C ATOM 421 CD1 ILE A 26 -4.515 -26.763 3.005 1.00 0.00 C ATOM 0 H ILE A 26 -4.293 -23.502 3.501 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.813 -25.363 1.884 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.440 -23.916 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.639 -24.978 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.433 -26.034 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.911 -25.931 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.449 -25.097 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.302 -26.578 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.946 -27.335 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.363 -27.418 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.557 -26.346 3.317 1.00 0.00 H new ATOM 433 N VAL A 27 -3.155 -22.294 0.735 1.00 0.00 N ATOM 434 CA VAL A 27 -2.633 -21.372 -0.312 1.00 0.00 C ATOM 435 C VAL A 27 -1.102 -21.366 -0.270 1.00 0.00 C ATOM 436 O VAL A 27 -0.445 -21.384 -1.292 1.00 0.00 O ATOM 437 CB VAL A 27 -3.155 -19.957 -0.051 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.516 -18.986 -1.046 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.675 -19.936 -0.223 1.00 0.00 C ATOM 0 H VAL A 27 -3.748 -21.858 1.441 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.969 -21.709 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.899 -19.656 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.887 -17.978 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.433 -19.002 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.772 -19.286 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.048 -18.929 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.930 -20.236 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.131 -20.628 0.485 1.00 0.00 H new ATOM 449 N GLU A 28 -0.531 -21.338 0.902 1.00 0.00 N ATOM 450 CA GLU A 28 0.955 -21.329 1.007 1.00 0.00 C ATOM 451 C GLU A 28 1.517 -22.632 0.433 1.00 0.00 C ATOM 452 O GLU A 28 2.528 -22.640 -0.240 1.00 0.00 O ATOM 453 CB GLU A 28 1.363 -21.202 2.476 1.00 0.00 C ATOM 454 CG GLU A 28 2.881 -21.038 2.572 1.00 0.00 C ATOM 455 CD GLU A 28 3.299 -21.002 4.044 1.00 0.00 C ATOM 456 OE1 GLU A 28 2.427 -21.113 4.889 1.00 0.00 O ATOM 457 OE2 GLU A 28 4.483 -20.865 4.299 1.00 0.00 O ATOM 0 H GLU A 28 -1.029 -21.321 1.792 1.00 0.00 H new ATOM 0 HA GLU A 28 1.352 -20.484 0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.865 -20.345 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.046 -22.086 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.379 -21.862 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.190 -20.120 2.073 1.00 0.00 H new ATOM 464 N VAL A 29 0.870 -23.734 0.696 1.00 0.00 N ATOM 465 CA VAL A 29 1.368 -25.035 0.166 1.00 0.00 C ATOM 466 C VAL A 29 1.120 -25.101 -1.342 1.00 0.00 C ATOM 467 O VAL A 29 1.949 -25.567 -2.098 1.00 0.00 O ATOM 468 CB VAL A 29 0.629 -26.183 0.856 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.268 -27.514 0.454 1.00 0.00 C ATOM 470 CG2 VAL A 29 0.720 -26.009 2.373 1.00 0.00 C ATOM 0 H VAL A 29 0.018 -23.790 1.255 1.00 0.00 H new ATOM 0 HA VAL A 29 2.437 -25.122 0.362 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.418 -26.177 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.742 -28.333 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.203 -27.637 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.315 -27.521 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.194 -26.827 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.766 -26.015 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.265 -25.061 2.658 1.00 0.00 H new ATOM 480 N ALA A 30 -0.016 -24.638 -1.788 1.00 0.00 N ATOM 481 CA ALA A 30 -0.316 -24.675 -3.247 1.00 0.00 C ATOM 482 C ALA A 30 0.652 -23.753 -3.991 1.00 0.00 C ATOM 483 O ALA A 30 1.210 -24.114 -5.008 1.00 0.00 O ATOM 484 CB ALA A 30 -1.752 -24.206 -3.484 1.00 0.00 C ATOM 0 H ALA A 30 -0.749 -24.236 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.201 -25.694 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.972 -24.233 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.442 -24.864 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.867 -23.187 -3.115 1.00 0.00 H new ATOM 490 N LYS A 31 0.855 -22.564 -3.492 1.00 0.00 N ATOM 491 CA LYS A 31 1.787 -21.622 -4.172 1.00 0.00 C ATOM 492 C LYS A 31 3.191 -22.227 -4.207 1.00 0.00 C ATOM 493 O LYS A 31 3.913 -22.089 -5.175 1.00 0.00 O ATOM 494 CB LYS A 31 1.822 -20.297 -3.406 1.00 0.00 C ATOM 495 CG LYS A 31 2.571 -19.249 -4.232 1.00 0.00 C ATOM 496 CD LYS A 31 2.635 -17.935 -3.453 1.00 0.00 C ATOM 497 CE LYS A 31 3.276 -16.854 -4.325 1.00 0.00 C ATOM 498 NZ LYS A 31 3.926 -15.833 -3.456 1.00 0.00 N ATOM 0 H LYS A 31 0.416 -22.205 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 31 1.443 -21.445 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.807 -19.956 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.313 -20.435 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.578 -19.600 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.067 -19.094 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.633 -17.628 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.213 -18.070 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.013 -17.300 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.520 -16.383 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.362 -15.098 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.212 -15.399 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.659 -16.288 -2.875 1.00 0.00 H new ATOM 512 N SER A 32 3.584 -22.898 -3.159 1.00 0.00 N ATOM 513 CA SER A 32 4.941 -23.512 -3.133 1.00 0.00 C ATOM 514 C SER A 32 5.093 -24.464 -4.321 1.00 0.00 C ATOM 515 O SER A 32 6.179 -24.681 -4.820 1.00 0.00 O ATOM 516 CB SER A 32 5.124 -24.290 -1.829 1.00 0.00 C ATOM 517 OG SER A 32 4.267 -25.422 -1.829 1.00 0.00 O ATOM 0 H SER A 32 3.024 -23.047 -2.320 1.00 0.00 H new ATOM 0 HA SER A 32 5.696 -22.728 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.162 -24.606 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.898 -23.650 -0.976 1.00 0.00 H new ATOM 0 HG SER A 32 3.360 -25.146 -2.078 1.00 0.00 H new ATOM 523 N THR A 33 4.012 -25.036 -4.776 1.00 0.00 N ATOM 524 CA THR A 33 4.096 -25.974 -5.931 1.00 0.00 C ATOM 525 C THR A 33 4.125 -25.175 -7.235 1.00 0.00 C ATOM 526 O THR A 33 3.750 -24.020 -7.277 1.00 0.00 O ATOM 527 CB THR A 33 2.876 -26.899 -5.924 1.00 0.00 C ATOM 528 OG1 THR A 33 1.722 -26.161 -6.298 1.00 0.00 O ATOM 529 CG2 THR A 33 2.681 -27.480 -4.522 1.00 0.00 C ATOM 0 H THR A 33 3.075 -24.895 -4.398 1.00 0.00 H new ATOM 0 HA THR A 33 5.005 -26.571 -5.852 1.00 0.00 H new ATOM 0 HB THR A 33 3.033 -27.712 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.325 -25.750 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.812 -28.138 -4.519 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.567 -28.047 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.525 -26.669 -3.811 1.00 0.00 H new ATOM 537 N ASN A 34 4.568 -25.782 -8.303 1.00 0.00 N ATOM 538 CA ASN A 34 4.621 -25.056 -9.605 1.00 0.00 C ATOM 539 C ASN A 34 3.232 -24.510 -9.940 1.00 0.00 C ATOM 540 O ASN A 34 3.093 -23.441 -10.501 1.00 0.00 O ATOM 541 CB ASN A 34 5.072 -26.017 -10.706 1.00 0.00 C ATOM 542 CG ASN A 34 5.404 -25.223 -11.971 1.00 0.00 C ATOM 543 OD1 ASN A 34 5.313 -24.013 -11.984 1.00 0.00 O ATOM 544 ND2 ASN A 34 5.788 -25.860 -13.044 1.00 0.00 N ATOM 0 H ASN A 34 4.895 -26.748 -8.330 1.00 0.00 H new ATOM 0 HA ASN A 34 5.328 -24.230 -9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.946 -26.580 -10.377 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.286 -26.742 -10.915 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.011 -25.341 -13.893 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.865 -26.877 -13.033 1.00 0.00 H new ATOM 551 N SER A 35 2.202 -25.235 -9.602 1.00 0.00 N ATOM 552 CA SER A 35 0.822 -24.758 -9.901 1.00 0.00 C ATOM 553 C SER A 35 0.539 -23.482 -9.107 1.00 0.00 C ATOM 554 O SER A 35 1.053 -23.286 -8.024 1.00 0.00 O ATOM 555 CB SER A 35 -0.186 -25.837 -9.507 1.00 0.00 C ATOM 556 OG SER A 35 0.161 -27.061 -10.135 1.00 0.00 O ATOM 0 H SER A 35 2.256 -26.138 -9.131 1.00 0.00 H new ATOM 0 HA SER A 35 0.733 -24.549 -10.967 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.197 -25.962 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.191 -25.536 -9.803 1.00 0.00 H new ATOM 0 HG SER A 35 0.210 -26.929 -11.105 1.00 0.00 H new ATOM 562 N LYS A 36 -0.279 -22.613 -9.635 1.00 0.00 N ATOM 563 CA LYS A 36 -0.597 -21.352 -8.909 1.00 0.00 C ATOM 564 C LYS A 36 -2.007 -21.447 -8.321 1.00 0.00 C ATOM 565 O LYS A 36 -2.867 -22.121 -8.853 1.00 0.00 O ATOM 566 CB LYS A 36 -0.528 -20.171 -9.880 1.00 0.00 C ATOM 567 CG LYS A 36 0.894 -20.046 -10.431 1.00 0.00 C ATOM 568 CD LYS A 36 0.985 -18.814 -11.334 1.00 0.00 C ATOM 569 CE LYS A 36 2.376 -18.747 -11.966 1.00 0.00 C ATOM 570 NZ LYS A 36 3.374 -18.350 -10.931 1.00 0.00 N ATOM 0 H LYS A 36 -0.741 -22.722 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 36 0.124 -21.203 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.235 -20.317 -10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.814 -19.251 -9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.607 -19.962 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.158 -20.942 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.223 -18.863 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.793 -17.911 -10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.642 -19.715 -12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.381 -18.028 -12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.284 -18.140 -11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.036 -17.505 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.499 -19.129 -10.253 1.00 0.00 H new ATOM 584 N VAL A 37 -2.250 -20.780 -7.226 1.00 0.00 N ATOM 585 CA VAL A 37 -3.604 -20.836 -6.606 1.00 0.00 C ATOM 586 C VAL A 37 -4.211 -19.433 -6.573 1.00 0.00 C ATOM 587 O VAL A 37 -3.515 -18.447 -6.429 1.00 0.00 O ATOM 588 CB VAL A 37 -3.490 -21.378 -5.180 1.00 0.00 C ATOM 589 CG1 VAL A 37 -2.534 -20.499 -4.373 1.00 0.00 C ATOM 590 CG2 VAL A 37 -4.869 -21.373 -4.517 1.00 0.00 C ATOM 0 H VAL A 37 -1.570 -20.199 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.245 -21.493 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.107 -22.398 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.454 -20.886 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.550 -20.505 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.916 -19.478 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.786 -21.759 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.255 -20.354 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.550 -22.002 -5.090 1.00 0.00 H new ATOM 600 N SER A 38 -5.506 -19.336 -6.705 1.00 0.00 N ATOM 601 CA SER A 38 -6.160 -17.998 -6.681 1.00 0.00 C ATOM 602 C SER A 38 -7.147 -17.933 -5.514 1.00 0.00 C ATOM 603 O SER A 38 -7.783 -18.909 -5.170 1.00 0.00 O ATOM 604 CB SER A 38 -6.910 -17.775 -7.994 1.00 0.00 C ATOM 605 OG SER A 38 -5.977 -17.565 -9.044 1.00 0.00 O ATOM 0 H SER A 38 -6.139 -20.126 -6.828 1.00 0.00 H new ATOM 0 HA SER A 38 -5.401 -17.225 -6.559 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.537 -18.638 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.573 -16.914 -7.905 1.00 0.00 H new ATOM 0 HG SER A 38 -6.458 -17.424 -9.886 1.00 0.00 H new ATOM 611 N GLY A 39 -7.279 -16.788 -4.900 1.00 0.00 N ATOM 612 CA GLY A 39 -8.225 -16.662 -3.756 1.00 0.00 C ATOM 613 C GLY A 39 -7.464 -16.192 -2.514 1.00 0.00 C ATOM 614 O GLY A 39 -6.421 -15.574 -2.611 1.00 0.00 O ATOM 0 H GLY A 39 -6.773 -15.936 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.016 -15.953 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.705 -17.621 -3.560 1.00 0.00 H new ATOM 618 N PRO A 40 -8.002 -16.494 -1.324 1.00 0.00 N ATOM 619 CA PRO A 40 -9.260 -17.239 -1.189 1.00 0.00 C ATOM 620 C PRO A 40 -10.465 -16.400 -1.624 1.00 0.00 C ATOM 621 O PRO A 40 -10.536 -15.216 -1.366 1.00 0.00 O ATOM 622 CB PRO A 40 -9.343 -17.532 0.309 1.00 0.00 C ATOM 623 CG PRO A 40 -8.531 -16.456 0.949 1.00 0.00 C ATOM 624 CD PRO A 40 -7.425 -16.133 -0.017 1.00 0.00 C ATOM 0 HA PRO A 40 -9.276 -18.132 -1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.375 -17.512 0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.946 -18.520 0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.141 -15.576 1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.128 -16.790 1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.150 -15.079 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.523 -16.707 0.197 1.00 0.00 H new ATOM 632 N ILE A 41 -11.416 -17.007 -2.281 1.00 0.00 N ATOM 633 CA ILE A 41 -12.615 -16.245 -2.729 1.00 0.00 C ATOM 634 C ILE A 41 -13.725 -16.386 -1.685 1.00 0.00 C ATOM 635 O ILE A 41 -14.166 -17.477 -1.379 1.00 0.00 O ATOM 636 CB ILE A 41 -13.100 -16.799 -4.069 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.904 -16.991 -5.005 1.00 0.00 C ATOM 638 CG2 ILE A 41 -14.088 -15.816 -4.700 1.00 0.00 C ATOM 639 CD1 ILE A 41 -12.389 -17.558 -6.341 1.00 0.00 C ATOM 0 H ILE A 41 -11.414 -17.997 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.356 -15.193 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.593 -17.758 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.396 -16.040 -5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.179 -17.667 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.434 -16.211 -5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.940 -15.679 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.595 -14.857 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.538 -17.695 -7.008 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.877 -18.518 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.098 -16.865 -6.794 1.00 0.00 H new ATOM 651 N PRO A 42 -14.182 -15.256 -1.128 1.00 0.00 N ATOM 652 CA PRO A 42 -15.242 -15.244 -0.112 1.00 0.00 C ATOM 653 C PRO A 42 -16.605 -15.608 -0.707 1.00 0.00 C ATOM 654 O PRO A 42 -17.039 -15.036 -1.687 1.00 0.00 O ATOM 655 CB PRO A 42 -15.255 -13.795 0.375 1.00 0.00 C ATOM 656 CG PRO A 42 -14.700 -13.009 -0.765 1.00 0.00 C ATOM 657 CD PRO A 42 -13.699 -13.900 -1.445 1.00 0.00 C ATOM 0 HA PRO A 42 -15.059 -15.972 0.678 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.265 -13.470 0.626 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.649 -13.673 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.490 -12.715 -1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.228 -12.092 -0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.669 -13.725 -2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.690 -13.734 -1.067 1.00 0.00 H new ATOM 665 N LEU A 43 -17.284 -16.556 -0.121 1.00 0.00 N ATOM 666 CA LEU A 43 -18.617 -16.958 -0.651 1.00 0.00 C ATOM 667 C LEU A 43 -19.712 -16.475 0.304 1.00 0.00 C ATOM 668 O LEU A 43 -19.436 -16.004 1.390 1.00 0.00 O ATOM 669 CB LEU A 43 -18.678 -18.483 -0.767 1.00 0.00 C ATOM 670 CG LEU A 43 -18.451 -18.897 -2.224 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.253 -18.134 -2.795 1.00 0.00 C ATOM 672 CD2 LEU A 43 -18.173 -20.400 -2.287 1.00 0.00 C ATOM 0 H LEU A 43 -16.972 -17.070 0.703 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.769 -16.511 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.921 -18.937 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.646 -18.846 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.340 -18.664 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.093 -18.430 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.449 -17.063 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.362 -18.365 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -18.011 -20.697 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -17.284 -20.630 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -19.026 -20.945 -1.882 1.00 0.00 H new ATOM 684 N PRO A 44 -20.980 -16.598 -0.115 1.00 0.00 N ATOM 685 CA PRO A 44 -22.128 -16.177 0.698 1.00 0.00 C ATOM 686 C PRO A 44 -22.324 -17.083 1.916 1.00 0.00 C ATOM 687 O PRO A 44 -22.229 -18.291 1.825 1.00 0.00 O ATOM 688 CB PRO A 44 -23.313 -16.318 -0.256 1.00 0.00 C ATOM 689 CG PRO A 44 -22.876 -17.343 -1.247 1.00 0.00 C ATOM 690 CD PRO A 44 -21.394 -17.158 -1.414 1.00 0.00 C ATOM 0 HA PRO A 44 -22.002 -15.170 1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.212 -16.635 0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.546 -15.371 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.106 -18.348 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.394 -17.212 -2.197 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.891 -18.102 -1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.162 -16.482 -2.237 1.00 0.00 H new ATOM 698 N THR A 45 -22.598 -16.510 3.056 1.00 0.00 N ATOM 699 CA THR A 45 -22.800 -17.339 4.278 1.00 0.00 C ATOM 700 C THR A 45 -24.169 -18.019 4.215 1.00 0.00 C ATOM 701 O THR A 45 -25.133 -17.452 3.739 1.00 0.00 O ATOM 702 CB THR A 45 -22.732 -16.443 5.518 1.00 0.00 C ATOM 703 OG1 THR A 45 -21.524 -15.696 5.495 1.00 0.00 O ATOM 704 CG2 THR A 45 -22.775 -17.309 6.778 1.00 0.00 C ATOM 0 H THR A 45 -22.691 -15.504 3.194 1.00 0.00 H new ATOM 0 HA THR A 45 -22.020 -18.099 4.334 1.00 0.00 H new ATOM 0 HB THR A 45 -23.581 -15.760 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.955 -15.971 6.244 1.00 0.00 H new ATOM 0 HG21 THR A 45 -22.727 -16.671 7.660 1.00 0.00 H new ATOM 0 HG22 THR A 45 -23.703 -17.881 6.795 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.927 -17.993 6.778 1.00 0.00 H new ATOM 712 N GLU A 46 -24.263 -19.230 4.693 1.00 0.00 N ATOM 713 CA GLU A 46 -25.570 -19.945 4.661 1.00 0.00 C ATOM 714 C GLU A 46 -25.756 -20.723 5.965 1.00 0.00 C ATOM 715 O GLU A 46 -24.813 -21.245 6.527 1.00 0.00 O ATOM 716 CB GLU A 46 -25.592 -20.917 3.480 1.00 0.00 C ATOM 717 CG GLU A 46 -25.520 -20.130 2.169 1.00 0.00 C ATOM 718 CD GLU A 46 -25.690 -21.087 0.988 1.00 0.00 C ATOM 719 OE1 GLU A 46 -25.712 -22.285 1.220 1.00 0.00 O ATOM 720 OE2 GLU A 46 -25.797 -20.607 -0.128 1.00 0.00 O ATOM 0 H GLU A 46 -23.491 -19.755 5.104 1.00 0.00 H new ATOM 0 HA GLU A 46 -26.378 -19.221 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -24.752 -21.608 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -26.501 -21.517 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -26.298 -19.367 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -24.564 -19.612 2.096 1.00 0.00 H new ATOM 727 N SER A 47 -26.964 -20.807 6.451 1.00 0.00 N ATOM 728 CA SER A 47 -27.207 -21.551 7.718 1.00 0.00 C ATOM 729 C SER A 47 -26.204 -21.091 8.779 1.00 0.00 C ATOM 730 O SER A 47 -25.669 -21.886 9.526 1.00 0.00 O ATOM 731 CB SER A 47 -27.034 -23.051 7.469 1.00 0.00 C ATOM 732 OG SER A 47 -28.262 -23.599 7.015 1.00 0.00 O ATOM 0 H SER A 47 -27.793 -20.392 6.025 1.00 0.00 H new ATOM 0 HA SER A 47 -28.221 -21.355 8.067 1.00 0.00 H new ATOM 0 HB2 SER A 47 -26.252 -23.220 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 47 -26.718 -23.549 8.386 1.00 0.00 H new ATOM 0 HG SER A 47 -28.152 -24.559 6.854 1.00 0.00 H new ATOM 738 N ARG A 48 -25.946 -19.814 8.849 1.00 0.00 N ATOM 739 CA ARG A 48 -24.977 -19.305 9.862 1.00 0.00 C ATOM 740 C ARG A 48 -23.615 -19.963 9.640 1.00 0.00 C ATOM 741 O ARG A 48 -22.853 -20.163 10.566 1.00 0.00 O ATOM 742 CB ARG A 48 -25.483 -19.640 11.266 1.00 0.00 C ATOM 743 CG ARG A 48 -26.804 -18.910 11.521 1.00 0.00 C ATOM 744 CD ARG A 48 -27.229 -19.120 12.976 1.00 0.00 C ATOM 745 NE ARG A 48 -28.626 -18.636 13.159 1.00 0.00 N ATOM 746 CZ ARG A 48 -29.615 -19.488 13.179 1.00 0.00 C ATOM 747 NH1 ARG A 48 -29.521 -20.581 13.885 1.00 0.00 N ATOM 748 NH2 ARG A 48 -30.696 -19.247 12.490 1.00 0.00 N ATOM 0 H ARG A 48 -26.363 -19.102 8.250 1.00 0.00 H new ATOM 0 HA ARG A 48 -24.879 -18.224 9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -25.625 -20.716 11.366 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -24.743 -19.346 12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -26.690 -17.846 11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -27.575 -19.285 10.848 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -27.161 -20.176 13.237 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -26.556 -18.583 13.644 1.00 0.00 H new ATOM 0 HE ARG A 48 -28.810 -17.639 13.269 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -28.675 -20.770 14.422 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -30.294 -21.246 13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -30.768 -18.393 11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -31.469 -19.912 12.505 1.00 0.00 H new ATOM 762 N VAL A 49 -23.302 -20.304 8.420 1.00 0.00 N ATOM 763 CA VAL A 49 -21.988 -20.950 8.141 1.00 0.00 C ATOM 764 C VAL A 49 -21.268 -20.181 7.032 1.00 0.00 C ATOM 765 O VAL A 49 -21.853 -19.826 6.028 1.00 0.00 O ATOM 766 CB VAL A 49 -22.216 -22.395 7.695 1.00 0.00 C ATOM 767 CG1 VAL A 49 -20.866 -23.082 7.482 1.00 0.00 C ATOM 768 CG2 VAL A 49 -23.004 -23.143 8.773 1.00 0.00 C ATOM 0 H VAL A 49 -23.899 -20.163 7.605 1.00 0.00 H new ATOM 0 HA VAL A 49 -21.378 -20.941 9.044 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.779 -22.403 6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.028 -24.112 7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.304 -22.550 6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.303 -23.075 8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.167 -24.173 8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.441 -23.135 9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.966 -22.654 8.926 1.00 0.00 H new ATOM 778 N HIS A 50 -20.000 -19.923 7.203 1.00 0.00 N ATOM 779 CA HIS A 50 -19.244 -19.179 6.157 1.00 0.00 C ATOM 780 C HIS A 50 -18.545 -20.175 5.230 1.00 0.00 C ATOM 781 O HIS A 50 -18.149 -21.248 5.641 1.00 0.00 O ATOM 782 CB HIS A 50 -18.200 -18.282 6.822 1.00 0.00 C ATOM 783 CG HIS A 50 -18.892 -17.274 7.700 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.414 -16.032 7.436 1.00 0.00 N flip ATOM 785 CD2 HIS A 50 -19.117 -17.500 9.050 1.00 0.00 C flip ATOM 786 CE1 HIS A 50 -19.954 -15.494 8.600 1.00 0.00 C flip ATOM 787 NE2 HIS A 50 -19.749 -16.419 9.541 1.00 0.00 N flip ATOM 0 H HIS A 50 -19.456 -20.195 8.021 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.933 -18.564 5.578 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.511 -18.884 7.414 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.606 -17.773 6.063 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.836 -18.383 9.605 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.436 -14.534 8.717 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -20.037 -16.318 10.514 1.00 0.00 H new ATOM 795 N LYS A 51 -18.389 -19.830 3.980 1.00 0.00 N ATOM 796 CA LYS A 51 -17.718 -20.761 3.031 1.00 0.00 C ATOM 797 C LYS A 51 -16.775 -19.972 2.120 1.00 0.00 C ATOM 798 O LYS A 51 -17.036 -18.837 1.772 1.00 0.00 O ATOM 799 CB LYS A 51 -18.773 -21.470 2.179 1.00 0.00 C ATOM 800 CG LYS A 51 -19.749 -22.216 3.090 1.00 0.00 C ATOM 801 CD LYS A 51 -20.652 -23.115 2.244 1.00 0.00 C ATOM 802 CE LYS A 51 -21.469 -22.254 1.279 1.00 0.00 C ATOM 803 NZ LYS A 51 -22.857 -22.787 1.190 1.00 0.00 N ATOM 0 H LYS A 51 -18.697 -18.945 3.577 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.147 -21.500 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.311 -20.744 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.293 -22.168 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.200 -22.815 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.352 -21.505 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.050 -23.833 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.318 -23.690 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.487 -21.220 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.004 -22.254 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.228 -22.631 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.852 -23.806 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.462 -22.297 1.879 1.00 0.00 H new ATOM 817 N ARG A 52 -15.680 -20.565 1.730 1.00 0.00 N ATOM 818 CA ARG A 52 -14.721 -19.854 0.840 1.00 0.00 C ATOM 819 C ARG A 52 -14.398 -20.737 -0.366 1.00 0.00 C ATOM 820 O ARG A 52 -14.491 -21.947 -0.304 1.00 0.00 O ATOM 821 CB ARG A 52 -13.435 -19.553 1.612 1.00 0.00 C ATOM 822 CG ARG A 52 -13.733 -18.552 2.730 1.00 0.00 C ATOM 823 CD ARG A 52 -12.433 -18.189 3.451 1.00 0.00 C ATOM 824 NE ARG A 52 -12.743 -17.346 4.640 1.00 0.00 N ATOM 825 CZ ARG A 52 -12.560 -16.055 4.590 1.00 0.00 C ATOM 826 NH1 ARG A 52 -12.586 -15.436 3.441 1.00 0.00 N ATOM 827 NH2 ARG A 52 -12.351 -15.382 5.689 1.00 0.00 N ATOM 0 H ARG A 52 -15.408 -21.513 1.990 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.165 -18.919 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.027 -20.472 2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.680 -19.148 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.194 -17.655 2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.445 -18.980 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.911 -19.095 3.760 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.767 -17.652 2.775 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.098 -17.778 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.749 -15.961 2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.443 -14.427 3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.331 -15.865 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.208 -14.373 5.650 1.00 0.00 H new ATOM 841 N LEU A 53 -14.020 -20.146 -1.466 1.00 0.00 N ATOM 842 CA LEU A 53 -13.695 -20.956 -2.673 1.00 0.00 C ATOM 843 C LEU A 53 -12.274 -20.635 -3.140 1.00 0.00 C ATOM 844 O LEU A 53 -11.912 -19.490 -3.317 1.00 0.00 O ATOM 845 CB LEU A 53 -14.686 -20.626 -3.792 1.00 0.00 C ATOM 846 CG LEU A 53 -14.448 -21.565 -4.976 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.898 -22.979 -4.606 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.248 -21.075 -6.185 1.00 0.00 C ATOM 0 H LEU A 53 -13.922 -19.137 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.764 -22.015 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.709 -20.732 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.565 -19.589 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.386 -21.575 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.728 -23.647 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.328 -23.329 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.959 -22.970 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -15.079 -21.744 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.310 -21.064 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.926 -20.068 -6.450 1.00 0.00 H new ATOM 860 N ILE A 54 -11.467 -21.640 -3.345 1.00 0.00 N ATOM 861 CA ILE A 54 -10.071 -21.394 -3.804 1.00 0.00 C ATOM 862 C ILE A 54 -9.893 -21.963 -5.213 1.00 0.00 C ATOM 863 O ILE A 54 -10.110 -23.134 -5.452 1.00 0.00 O ATOM 864 CB ILE A 54 -9.091 -22.080 -2.849 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.336 -21.584 -1.422 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.657 -21.748 -3.265 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.418 -22.337 -0.456 1.00 0.00 C ATOM 0 H ILE A 54 -11.714 -22.621 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.875 -20.322 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.241 -23.159 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.146 -20.512 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.379 -21.739 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.959 -22.236 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.482 -22.102 -4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.507 -20.669 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.592 -21.984 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.630 -23.405 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.378 -22.159 -0.729 1.00 0.00 H new ATOM 879 N ASP A 55 -9.504 -21.143 -6.149 1.00 0.00 N ATOM 880 CA ASP A 55 -9.317 -21.637 -7.542 1.00 0.00 C ATOM 881 C ASP A 55 -7.858 -22.050 -7.751 1.00 0.00 C ATOM 882 O ASP A 55 -6.946 -21.411 -7.264 1.00 0.00 O ATOM 883 CB ASP A 55 -9.677 -20.526 -8.531 1.00 0.00 C ATOM 884 CG ASP A 55 -11.170 -20.210 -8.420 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.879 -20.997 -7.815 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.579 -19.186 -8.944 1.00 0.00 O ATOM 0 H ASP A 55 -9.307 -20.152 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.964 -22.498 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.089 -19.633 -8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.434 -20.836 -9.547 1.00 0.00 H new ATOM 891 N ILE A 56 -7.632 -23.114 -8.474 1.00 0.00 N ATOM 892 CA ILE A 56 -6.232 -23.567 -8.717 1.00 0.00 C ATOM 893 C ILE A 56 -5.946 -23.538 -10.220 1.00 0.00 C ATOM 894 O ILE A 56 -6.699 -24.065 -11.015 1.00 0.00 O ATOM 895 CB ILE A 56 -6.060 -24.994 -8.192 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.369 -25.029 -6.694 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.619 -25.452 -8.426 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.249 -26.467 -6.182 1.00 0.00 C ATOM 0 H ILE A 56 -8.356 -23.688 -8.906 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.538 -22.905 -8.200 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.744 -25.659 -8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.679 -24.381 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.374 -24.649 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.495 -26.468 -8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.398 -25.428 -9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.935 -24.786 -7.899 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.469 -26.493 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.957 -27.103 -6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.236 -26.831 -6.352 1.00 0.00 H new ATOM 910 N ILE A 57 -4.866 -22.923 -10.617 1.00 0.00 N ATOM 911 CA ILE A 57 -4.537 -22.860 -12.069 1.00 0.00 C ATOM 912 C ILE A 57 -3.316 -23.735 -12.358 1.00 0.00 C ATOM 913 O ILE A 57 -2.391 -23.807 -11.574 1.00 0.00 O ATOM 914 CB ILE A 57 -4.231 -21.412 -12.458 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.417 -20.520 -12.085 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.985 -21.330 -13.966 1.00 0.00 C ATOM 917 CD1 ILE A 57 -5.049 -19.054 -12.323 1.00 0.00 C ATOM 0 H ILE A 57 -4.198 -22.462 -9.999 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.386 -23.222 -12.649 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.342 -21.074 -11.926 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.289 -20.788 -12.681 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.686 -20.673 -11.040 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.767 -20.299 -14.244 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.139 -21.964 -14.232 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.874 -21.669 -14.499 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.894 -18.419 -12.057 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.189 -18.790 -11.707 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.801 -18.907 -13.374 1.00 0.00 H new ATOM 929 N ASP A 58 -3.306 -24.400 -13.481 1.00 0.00 N ATOM 930 CA ASP A 58 -2.144 -25.270 -13.821 1.00 0.00 C ATOM 931 C ASP A 58 -1.832 -26.193 -12.642 1.00 0.00 C ATOM 932 O ASP A 58 -0.755 -26.152 -12.081 1.00 0.00 O ATOM 933 CB ASP A 58 -0.925 -24.397 -14.122 1.00 0.00 C ATOM 934 CG ASP A 58 0.306 -25.286 -14.305 1.00 0.00 C ATOM 935 OD1 ASP A 58 0.174 -26.326 -14.929 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.360 -24.911 -13.819 1.00 0.00 O ATOM 0 H ASP A 58 -4.051 -24.379 -14.177 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.386 -25.872 -14.697 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.099 -23.809 -15.023 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.760 -23.692 -13.308 1.00 0.00 H new ATOM 941 N PRO A 59 -2.798 -27.041 -12.262 1.00 0.00 N ATOM 942 CA PRO A 59 -2.633 -27.982 -11.147 1.00 0.00 C ATOM 943 C PRO A 59 -1.650 -29.106 -11.488 1.00 0.00 C ATOM 944 O PRO A 59 -1.639 -29.622 -12.588 1.00 0.00 O ATOM 945 CB PRO A 59 -4.036 -28.557 -10.955 1.00 0.00 C ATOM 946 CG PRO A 59 -4.693 -28.402 -12.284 1.00 0.00 C ATOM 947 CD PRO A 59 -4.127 -27.149 -12.891 1.00 0.00 C ATOM 0 HA PRO A 59 -2.230 -27.495 -10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.997 -29.603 -10.652 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.581 -28.020 -10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.495 -29.266 -12.919 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.775 -28.327 -12.176 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.054 -27.224 -13.976 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.748 -26.280 -12.673 1.00 0.00 H new ATOM 955 N SER A 60 -0.825 -29.489 -10.551 1.00 0.00 N ATOM 956 CA SER A 60 0.155 -30.579 -10.821 1.00 0.00 C ATOM 957 C SER A 60 0.026 -31.658 -9.743 1.00 0.00 C ATOM 958 O SER A 60 -0.615 -31.460 -8.730 1.00 0.00 O ATOM 959 CB SER A 60 1.574 -30.008 -10.803 1.00 0.00 C ATOM 960 OG SER A 60 1.616 -28.870 -9.954 1.00 0.00 O ATOM 0 H SER A 60 -0.788 -29.094 -9.611 1.00 0.00 H new ATOM 0 HA SER A 60 -0.048 -31.015 -11.799 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.277 -30.763 -10.452 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.880 -29.733 -11.813 1.00 0.00 H new ATOM 0 HG SER A 60 1.076 -28.151 -10.344 1.00 0.00 H new ATOM 966 N PRO A 61 0.652 -32.822 -9.970 1.00 0.00 N ATOM 967 CA PRO A 61 0.612 -33.943 -9.021 1.00 0.00 C ATOM 968 C PRO A 61 1.377 -33.621 -7.734 1.00 0.00 C ATOM 969 O PRO A 61 1.094 -34.159 -6.681 1.00 0.00 O ATOM 970 CB PRO A 61 1.305 -35.076 -9.777 1.00 0.00 C ATOM 971 CG PRO A 61 2.184 -34.386 -10.762 1.00 0.00 C ATOM 972 CD PRO A 61 1.450 -33.139 -11.167 1.00 0.00 C ATOM 0 HA PRO A 61 -0.405 -34.183 -8.710 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.884 -35.707 -9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.581 -35.721 -10.275 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.151 -34.144 -10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.378 -35.023 -11.625 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.136 -32.331 -11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.819 -33.307 -12.040 1.00 0.00 H new ATOM 980 N LYS A 62 2.341 -32.745 -7.808 1.00 0.00 N ATOM 981 CA LYS A 62 3.117 -32.388 -6.589 1.00 0.00 C ATOM 982 C LYS A 62 2.188 -31.707 -5.583 1.00 0.00 C ATOM 983 O LYS A 62 2.454 -31.680 -4.397 1.00 0.00 O ATOM 984 CB LYS A 62 4.250 -31.431 -6.965 1.00 0.00 C ATOM 985 CG LYS A 62 5.243 -32.150 -7.882 1.00 0.00 C ATOM 986 CD LYS A 62 6.435 -31.233 -8.159 1.00 0.00 C ATOM 987 CE LYS A 62 7.386 -31.916 -9.145 1.00 0.00 C ATOM 988 NZ LYS A 62 8.472 -32.604 -8.391 1.00 0.00 N ATOM 0 H LYS A 62 2.624 -32.261 -8.660 1.00 0.00 H new ATOM 0 HA LYS A 62 3.539 -33.291 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.846 -30.552 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.757 -31.080 -6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.582 -33.075 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.757 -32.425 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.090 -30.284 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.958 -31.008 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.840 -32.636 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.812 -31.179 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.119 -33.068 -9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.999 -31.907 -7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.057 -33.318 -7.759 1.00 0.00 H new ATOM 1002 N THR A 63 1.098 -31.160 -6.047 1.00 0.00 N ATOM 1003 CA THR A 63 0.150 -30.483 -5.118 1.00 0.00 C ATOM 1004 C THR A 63 -0.600 -31.538 -4.303 1.00 0.00 C ATOM 1005 O THR A 63 -0.822 -31.381 -3.119 1.00 0.00 O ATOM 1006 CB THR A 63 -0.852 -29.655 -5.926 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.149 -28.745 -6.759 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.763 -28.881 -4.974 1.00 0.00 C ATOM 0 H THR A 63 0.823 -31.153 -7.029 1.00 0.00 H new ATOM 0 HA THR A 63 0.703 -29.827 -4.445 1.00 0.00 H new ATOM 0 HB THR A 63 -1.458 -30.318 -6.543 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.323 -28.091 -6.203 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.476 -28.292 -5.551 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.303 -29.582 -4.337 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.161 -28.217 -4.354 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.989 -32.616 -4.928 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.721 -33.682 -4.191 1.00 0.00 C ATOM 1018 C ILE A 64 -0.788 -34.315 -3.156 1.00 0.00 C ATOM 1019 O ILE A 64 -1.188 -34.621 -2.050 1.00 0.00 O ATOM 1020 CB ILE A 64 -2.193 -34.752 -5.175 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -3.107 -34.114 -6.224 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -2.965 -35.837 -4.421 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.442 -35.144 -7.305 1.00 0.00 C ATOM 0 H ILE A 64 -0.831 -32.803 -5.918 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.585 -33.249 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.328 -35.197 -5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.022 -33.754 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.617 -33.249 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.301 -36.599 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.315 -36.293 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.829 -35.392 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.093 -34.689 -8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.523 -35.482 -7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.950 -35.995 -6.852 1.00 0.00 H new ATOM 1035 N ASP A 65 0.453 -34.514 -3.507 1.00 0.00 N ATOM 1036 CA ASP A 65 1.410 -35.125 -2.543 1.00 0.00 C ATOM 1037 C ASP A 65 1.550 -34.214 -1.322 1.00 0.00 C ATOM 1038 O ASP A 65 1.580 -34.668 -0.195 1.00 0.00 O ATOM 1039 CB ASP A 65 2.775 -35.292 -3.214 1.00 0.00 C ATOM 1040 CG ASP A 65 2.669 -36.333 -4.332 1.00 0.00 C ATOM 1041 OD1 ASP A 65 1.667 -37.028 -4.373 1.00 0.00 O ATOM 1042 OD2 ASP A 65 3.591 -36.416 -5.125 1.00 0.00 O ATOM 0 H ASP A 65 0.845 -34.280 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 65 1.039 -36.101 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.111 -34.338 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.517 -35.605 -2.480 1.00 0.00 H new ATOM 1047 N ALA A 66 1.634 -32.929 -1.536 1.00 0.00 N ATOM 1048 CA ALA A 66 1.769 -31.990 -0.387 1.00 0.00 C ATOM 1049 C ALA A 66 0.471 -31.987 0.422 1.00 0.00 C ATOM 1050 O ALA A 66 0.484 -31.913 1.635 1.00 0.00 O ATOM 1051 CB ALA A 66 2.046 -30.579 -0.910 1.00 0.00 C ATOM 0 H ALA A 66 1.615 -32.489 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 66 2.594 -32.310 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.145 -29.892 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.970 -30.580 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.221 -30.258 -1.546 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.651 -32.070 -0.240 1.00 0.00 N ATOM 1058 CA LEU A 67 -1.949 -32.075 0.491 1.00 0.00 C ATOM 1059 C LEU A 67 -2.019 -33.309 1.393 1.00 0.00 C ATOM 1060 O LEU A 67 -2.486 -33.245 2.513 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.100 -32.112 -0.518 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.435 -31.917 0.210 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.791 -33.192 0.976 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -4.320 -30.747 1.190 1.00 0.00 C ATOM 0 H LEU A 67 -0.724 -32.135 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.029 -31.175 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.966 -31.330 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.100 -33.064 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.216 -31.702 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.740 -33.053 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.877 -34.024 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.009 -33.409 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.270 -30.610 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.538 -30.959 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.070 -29.838 0.643 1.00 0.00 H new ATOM 1076 N MET A 68 -1.556 -34.432 0.916 1.00 0.00 N ATOM 1077 CA MET A 68 -1.595 -35.668 1.748 1.00 0.00 C ATOM 1078 C MET A 68 -0.605 -35.532 2.906 1.00 0.00 C ATOM 1079 O MET A 68 -0.796 -36.092 3.968 1.00 0.00 O ATOM 1080 CB MET A 68 -1.212 -36.874 0.888 1.00 0.00 C ATOM 1081 CG MET A 68 -2.373 -37.220 -0.048 1.00 0.00 C ATOM 1082 SD MET A 68 -2.006 -38.765 -0.916 1.00 0.00 S ATOM 1083 CE MET A 68 -0.463 -38.228 -1.693 1.00 0.00 C ATOM 0 H MET A 68 -1.152 -34.547 -0.014 1.00 0.00 H new ATOM 0 HA MET A 68 -2.601 -35.809 2.144 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.317 -36.651 0.308 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.976 -37.728 1.523 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.296 -37.321 0.522 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.528 -36.415 -0.766 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.193 -38.925 -2.487 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.595 -37.232 -2.115 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.331 -38.203 -0.947 1.00 0.00 H new ATOM 1093 N ARG A 69 0.452 -34.791 2.712 1.00 0.00 N ATOM 1094 CA ARG A 69 1.451 -34.619 3.803 1.00 0.00 C ATOM 1095 C ARG A 69 0.901 -33.646 4.849 1.00 0.00 C ATOM 1096 O ARG A 69 1.220 -33.731 6.018 1.00 0.00 O ATOM 1097 CB ARG A 69 2.752 -34.061 3.221 1.00 0.00 C ATOM 1098 CG ARG A 69 3.389 -35.106 2.303 1.00 0.00 C ATOM 1099 CD ARG A 69 4.730 -34.582 1.786 1.00 0.00 C ATOM 1100 NE ARG A 69 5.236 -35.486 0.714 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.446 -35.969 0.784 1.00 0.00 C ATOM 1102 NH1 ARG A 69 7.475 -35.176 0.654 1.00 0.00 N ATOM 1103 NH2 ARG A 69 6.628 -37.245 0.986 1.00 0.00 N ATOM 0 H ARG A 69 0.666 -34.298 1.845 1.00 0.00 H new ATOM 0 HA ARG A 69 1.647 -35.584 4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.551 -33.146 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.440 -33.800 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.536 -36.040 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.725 -35.324 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.612 -33.570 1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.451 -34.529 2.602 1.00 0.00 H new ATOM 0 HE ARG A 69 4.636 -35.727 -0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.333 -34.178 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.421 -35.554 0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.824 -37.865 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.574 -37.623 1.041 1.00 0.00 H new ATOM 1117 N ILE A 70 0.077 -32.723 4.437 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.494 -31.747 5.407 1.00 0.00 C ATOM 1119 C ILE A 70 -2.003 -31.970 5.527 1.00 0.00 C ATOM 1120 O ILE A 70 -2.700 -32.102 4.541 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.225 -30.324 4.916 1.00 0.00 C ATOM 1122 CG1 ILE A 70 1.273 -30.141 4.672 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -0.697 -29.322 5.972 1.00 0.00 C ATOM 1124 CD1 ILE A 70 1.528 -28.749 4.089 1.00 0.00 C ATOM 0 H ILE A 70 -0.226 -32.602 3.470 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.028 -31.889 6.382 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.766 -30.153 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.822 -30.262 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.637 -30.906 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.505 -28.308 5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.766 -29.451 6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.157 -29.493 6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.596 -28.618 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.991 -28.645 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.179 -27.991 4.790 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.512 -32.014 6.727 1.00 0.00 N ATOM 1137 CA ASN A 71 -3.976 -32.231 6.907 1.00 0.00 C ATOM 1138 C ASN A 71 -4.654 -30.897 7.226 1.00 0.00 C ATOM 1139 O ASN A 71 -4.115 -30.069 7.933 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.209 -33.211 8.059 1.00 0.00 C ATOM 1141 CG ASN A 71 -3.624 -34.575 7.693 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -3.364 -34.849 6.539 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -3.405 -35.452 8.637 1.00 0.00 N ATOM 0 H ASN A 71 -1.979 -31.909 7.590 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.398 -32.642 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.743 -32.836 8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.276 -33.303 8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.016 -36.366 8.404 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.623 -35.223 9.607 1.00 0.00 H new ATOM 1150 N LEU A 72 -5.834 -30.684 6.711 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.546 -29.405 6.985 1.00 0.00 C ATOM 1152 C LEU A 72 -6.615 -29.173 8.495 1.00 0.00 C ATOM 1153 O LEU A 72 -6.563 -30.101 9.278 1.00 0.00 O ATOM 1154 CB LEU A 72 -7.965 -29.480 6.416 1.00 0.00 C ATOM 1155 CG LEU A 72 -8.768 -30.531 7.185 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -10.122 -29.945 7.587 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -8.987 -31.757 6.294 1.00 0.00 C ATOM 0 H LEU A 72 -6.335 -31.341 6.113 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.008 -28.582 6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.451 -28.507 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.931 -29.736 5.357 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.219 -30.825 8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.694 -30.694 8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.967 -29.072 8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.671 -29.651 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.559 -32.507 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.536 -31.463 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.022 -32.175 6.007 1.00 0.00 H new ATOM 1169 N PRO A 73 -6.735 -27.903 8.909 1.00 0.00 N ATOM 1170 CA PRO A 73 -6.814 -27.534 10.328 1.00 0.00 C ATOM 1171 C PRO A 73 -8.139 -27.972 10.956 1.00 0.00 C ATOM 1172 O PRO A 73 -9.176 -27.947 10.322 1.00 0.00 O ATOM 1173 CB PRO A 73 -6.723 -26.008 10.307 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.219 -25.622 8.954 1.00 0.00 C ATOM 1175 CD PRO A 73 -6.805 -26.727 8.024 1.00 0.00 C ATOM 0 HA PRO A 73 -6.033 -28.012 10.919 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.332 -25.563 11.094 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.699 -25.669 10.466 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.302 -25.501 8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.793 -24.669 8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.528 -26.870 7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.844 -26.519 7.554 1.00 0.00 H new ATOM 1183 N ALA A 74 -8.115 -28.374 12.197 1.00 0.00 N ATOM 1184 CA ALA A 74 -9.374 -28.813 12.863 1.00 0.00 C ATOM 1185 C ALA A 74 -10.359 -27.643 12.913 1.00 0.00 C ATOM 1186 O ALA A 74 -9.972 -26.498 13.033 1.00 0.00 O ATOM 1187 CB ALA A 74 -9.062 -29.278 14.287 1.00 0.00 C ATOM 0 H ALA A 74 -7.278 -28.417 12.779 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.815 -29.636 12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.982 -29.599 14.775 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.360 -30.111 14.252 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.621 -28.455 14.850 1.00 0.00 H new ATOM 1193 N GLY A 75 -11.631 -27.922 12.823 1.00 0.00 N ATOM 1194 CA GLY A 75 -12.639 -26.827 12.867 1.00 0.00 C ATOM 1195 C GLY A 75 -12.984 -26.389 11.441 1.00 0.00 C ATOM 1196 O GLY A 75 -13.704 -25.434 11.232 1.00 0.00 O ATOM 0 H GLY A 75 -12.015 -28.861 12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.538 -27.167 13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.248 -25.982 13.433 1.00 0.00 H new ATOM 1200 N VAL A 76 -12.475 -27.081 10.457 1.00 0.00 N ATOM 1201 CA VAL A 76 -12.776 -26.702 9.048 1.00 0.00 C ATOM 1202 C VAL A 76 -13.245 -27.938 8.277 1.00 0.00 C ATOM 1203 O VAL A 76 -12.822 -29.046 8.543 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.515 -26.139 8.390 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -11.838 -25.693 6.963 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.012 -24.939 9.196 1.00 0.00 C ATOM 0 H VAL A 76 -11.865 -27.891 10.569 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.561 -25.946 9.035 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.745 -26.910 8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.939 -25.292 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.197 -26.546 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.609 -24.922 6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.113 -24.537 8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.783 -24.169 9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.781 -25.255 10.213 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.116 -27.758 7.322 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.611 -28.923 6.535 1.00 0.00 C ATOM 1218 C ASP A 77 -14.202 -28.760 5.070 1.00 0.00 C ATOM 1219 O ASP A 77 -14.080 -27.661 4.568 1.00 0.00 O ATOM 1220 CB ASP A 77 -16.136 -28.995 6.633 1.00 0.00 C ATOM 1221 CG ASP A 77 -16.541 -29.289 8.079 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -15.676 -29.674 8.849 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -17.708 -29.126 8.392 1.00 0.00 O ATOM 0 H ASP A 77 -14.506 -26.855 7.053 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.178 -29.840 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.577 -28.054 6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.517 -29.773 5.972 1.00 0.00 H new ATOM 1228 N VAL A 78 -13.990 -29.848 4.379 1.00 0.00 N ATOM 1229 CA VAL A 78 -13.590 -29.755 2.948 1.00 0.00 C ATOM 1230 C VAL A 78 -14.600 -30.514 2.086 1.00 0.00 C ATOM 1231 O VAL A 78 -14.987 -31.623 2.398 1.00 0.00 O ATOM 1232 CB VAL A 78 -12.202 -30.368 2.766 1.00 0.00 C ATOM 1233 CG1 VAL A 78 -11.738 -30.162 1.321 1.00 0.00 C ATOM 1234 CG2 VAL A 78 -11.216 -29.692 3.719 1.00 0.00 C ATOM 0 H VAL A 78 -14.077 -30.796 4.745 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.567 -28.708 2.644 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.245 -31.435 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.748 -30.599 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.440 -30.645 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.695 -29.095 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.226 -30.129 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.173 -28.625 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.545 -29.839 4.748 1.00 0.00 H new ATOM 1244 N GLU A 79 -15.031 -29.927 1.003 1.00 0.00 N ATOM 1245 CA GLU A 79 -16.016 -30.616 0.124 1.00 0.00 C ATOM 1246 C GLU A 79 -15.307 -31.133 -1.129 1.00 0.00 C ATOM 1247 O GLU A 79 -14.496 -30.450 -1.722 1.00 0.00 O ATOM 1248 CB GLU A 79 -17.115 -29.631 -0.281 1.00 0.00 C ATOM 1249 CG GLU A 79 -18.202 -30.373 -1.062 1.00 0.00 C ATOM 1250 CD GLU A 79 -19.254 -29.373 -1.548 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -19.089 -28.195 -1.280 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -20.204 -29.804 -2.180 1.00 0.00 O ATOM 0 H GLU A 79 -14.743 -29.000 0.689 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.460 -31.454 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.544 -29.163 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.695 -28.832 -0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.762 -30.896 -1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -18.668 -31.128 -0.429 1.00 0.00 H new ATOM 1259 N ILE A 80 -15.607 -32.335 -1.538 1.00 0.00 N ATOM 1260 CA ILE A 80 -14.950 -32.895 -2.753 1.00 0.00 C ATOM 1261 C ILE A 80 -16.011 -33.194 -3.814 1.00 0.00 C ATOM 1262 O ILE A 80 -17.022 -33.809 -3.540 1.00 0.00 O ATOM 1263 CB ILE A 80 -14.217 -34.187 -2.387 1.00 0.00 C ATOM 1264 CG1 ILE A 80 -13.205 -33.904 -1.275 1.00 0.00 C ATOM 1265 CG2 ILE A 80 -13.485 -34.724 -3.619 1.00 0.00 C ATOM 1266 CD1 ILE A 80 -12.553 -35.215 -0.833 1.00 0.00 C ATOM 0 H ILE A 80 -16.279 -32.954 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 80 -14.236 -32.171 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.938 -34.928 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.444 -33.209 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -13.702 -33.429 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.962 -35.645 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.206 -34.927 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.764 -33.983 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.832 -35.014 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -13.319 -35.895 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.042 -35.671 -1.681 1.00 0.00 H new ATOM 1278 N LYS A 81 -15.789 -32.765 -5.027 1.00 0.00 N ATOM 1279 CA LYS A 81 -16.784 -33.025 -6.104 1.00 0.00 C ATOM 1280 C LYS A 81 -17.005 -34.533 -6.239 1.00 0.00 C ATOM 1281 O LYS A 81 -18.105 -34.990 -6.480 1.00 0.00 O ATOM 1282 CB LYS A 81 -16.262 -32.465 -7.428 1.00 0.00 C ATOM 1283 CG LYS A 81 -17.336 -32.618 -8.507 1.00 0.00 C ATOM 1284 CD LYS A 81 -18.444 -31.590 -8.272 1.00 0.00 C ATOM 1285 CE LYS A 81 -19.490 -31.705 -9.383 1.00 0.00 C ATOM 1286 NZ LYS A 81 -20.545 -32.675 -8.974 1.00 0.00 N ATOM 0 H LYS A 81 -14.961 -32.245 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 81 -17.727 -32.540 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.996 -31.414 -7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.355 -32.992 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.897 -32.476 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -17.750 -33.626 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -18.910 -31.757 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -18.024 -30.584 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -19.935 -30.730 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -19.018 -32.034 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -21.256 -32.753 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -20.114 -33.606 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -21.002 -32.343 -8.101 1.00 0.00 H new ATOM 1300 N LEU A 82 -15.967 -35.310 -6.088 1.00 0.00 N ATOM 1301 CA LEU A 82 -16.120 -36.787 -6.208 1.00 0.00 C ATOM 1302 C LEU A 82 -16.524 -37.143 -7.640 1.00 0.00 C ATOM 1303 O LEU A 82 -16.128 -38.201 -8.101 1.00 0.00 O ATOM 1304 CB LEU A 82 -17.200 -37.269 -5.239 1.00 0.00 C ATOM 1305 CG LEU A 82 -17.251 -38.799 -5.249 1.00 0.00 C ATOM 1306 CD1 LEU A 82 -16.027 -39.355 -4.519 1.00 0.00 C ATOM 1307 CD2 LEU A 82 -18.524 -39.272 -4.545 1.00 0.00 C ATOM 1308 OXT LEU A 82 -17.222 -36.352 -8.251 1.00 0.00 O ATOM 0 H LEU A 82 -15.021 -34.986 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.174 -37.271 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -16.987 -36.908 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -18.169 -36.861 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.252 -39.156 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -16.063 -40.444 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.120 -39.019 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.025 -38.999 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -18.560 -40.361 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -18.524 -38.916 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.396 -38.876 -5.066 1.00 0.00 H new TER 1320 LEU A 82