USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=14 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 -38:sc= 2 USER MOD Set 1.2: A 35 SER OG : rot -57:sc= 1.2 USER MOD Set 1.3: A 63 THR OG1 : rot -155:sc= 0.0245 USER MOD Set 2.1: A 45 THR OG1 : rot 132:sc= -1.45! USER MOD Set 2.2: A 50 HIS : no HD1:sc= -2.27! C(o=-3.7!,f=-6.7!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -8.37! C(o=-8.4!,f=-8.6!) USER MOD Single : A 22 SER OG : rot -60:sc= -1.93! USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.0659 (180deg=-0.703) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00134) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0518 (180deg=-0.495) USER MOD Single : A 32 SER OG : rot 88:sc= 1.22 USER MOD Single : A 34 ASN : amide:sc= -0.0243 K(o=-0.024,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 60 SER OG : rot 180:sc= -0.976 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -166:sc= -3.85! (180deg=-4.1!) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -6.807 -26.535 -17.434 1.00 0.00 N ATOM 46 CA GLN A 5 -7.873 -26.942 -16.475 1.00 0.00 C ATOM 47 C GLN A 5 -7.555 -26.375 -15.090 1.00 0.00 C ATOM 48 O GLN A 5 -6.409 -26.262 -14.703 1.00 0.00 O ATOM 49 CB GLN A 5 -7.936 -28.468 -16.400 1.00 0.00 C ATOM 50 CG GLN A 5 -8.392 -29.027 -17.748 1.00 0.00 C ATOM 51 CD GLN A 5 -8.463 -30.553 -17.671 1.00 0.00 C ATOM 52 OE1 GLN A 5 -7.904 -31.155 -16.776 1.00 0.00 O ATOM 53 NE2 GLN A 5 -9.133 -31.209 -18.578 1.00 0.00 N ATOM 0 HA GLN A 5 -8.834 -26.556 -16.814 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.957 -28.871 -16.140 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.626 -28.776 -15.615 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.368 -28.620 -18.011 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.699 -28.724 -18.533 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.603 -30.704 -19.330 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.187 -32.227 -18.535 1.00 0.00 H new ATOM 62 N LYS A 6 -8.562 -26.020 -14.339 1.00 0.00 N ATOM 63 CA LYS A 6 -8.317 -25.462 -12.979 1.00 0.00 C ATOM 64 C LYS A 6 -9.114 -26.263 -11.949 1.00 0.00 C ATOM 65 O LYS A 6 -10.087 -26.914 -12.273 1.00 0.00 O ATOM 66 CB LYS A 6 -8.760 -23.998 -12.941 1.00 0.00 C ATOM 67 CG LYS A 6 -10.270 -23.917 -13.165 1.00 0.00 C ATOM 68 CD LYS A 6 -10.684 -22.454 -13.339 1.00 0.00 C ATOM 69 CE LYS A 6 -12.208 -22.342 -13.245 1.00 0.00 C ATOM 70 NZ LYS A 6 -12.759 -21.952 -14.574 1.00 0.00 N ATOM 0 H LYS A 6 -9.543 -26.092 -14.608 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.254 -25.526 -12.746 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.500 -23.553 -11.981 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.237 -23.428 -13.709 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.548 -24.492 -14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.798 -24.357 -12.319 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.215 -21.838 -12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.340 -22.079 -14.303 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.635 -23.293 -12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.484 -21.602 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.794 -21.876 -14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.361 -21.035 -14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.507 -22.673 -15.280 1.00 0.00 H new ATOM 84 N ILE A 7 -8.710 -26.221 -10.708 1.00 0.00 N ATOM 85 CA ILE A 7 -9.446 -26.981 -9.660 1.00 0.00 C ATOM 86 C ILE A 7 -10.032 -26.003 -8.638 1.00 0.00 C ATOM 87 O ILE A 7 -9.414 -25.022 -8.279 1.00 0.00 O ATOM 88 CB ILE A 7 -8.485 -27.941 -8.954 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.860 -28.886 -9.982 1.00 0.00 C ATOM 90 CG2 ILE A 7 -9.252 -28.756 -7.911 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.815 -29.768 -9.296 1.00 0.00 C ATOM 0 H ILE A 7 -7.903 -25.693 -10.376 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.252 -27.550 -10.123 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.698 -27.370 -8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.632 -29.506 -10.438 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.397 -28.312 -10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.568 -29.440 -7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.696 -28.083 -7.178 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.039 -29.327 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.370 -30.441 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.038 -29.140 -8.861 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.292 -30.352 -8.509 1.00 0.00 H new ATOM 103 N ARG A 8 -11.221 -26.265 -8.169 1.00 0.00 N ATOM 104 CA ARG A 8 -11.846 -25.350 -7.172 1.00 0.00 C ATOM 105 C ARG A 8 -12.096 -26.111 -5.868 1.00 0.00 C ATOM 106 O ARG A 8 -12.576 -27.227 -5.872 1.00 0.00 O ATOM 107 CB ARG A 8 -13.175 -24.829 -7.722 1.00 0.00 C ATOM 108 CG ARG A 8 -12.915 -23.989 -8.974 1.00 0.00 C ATOM 109 CD ARG A 8 -14.228 -23.370 -9.455 1.00 0.00 C ATOM 110 NE ARG A 8 -14.049 -22.831 -10.833 1.00 0.00 N ATOM 111 CZ ARG A 8 -14.680 -23.377 -11.835 1.00 0.00 C ATOM 112 NH1 ARG A 8 -14.332 -24.561 -12.258 1.00 0.00 N ATOM 113 NH2 ARG A 8 -15.661 -22.739 -12.414 1.00 0.00 N ATOM 0 H ARG A 8 -11.786 -27.072 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.178 -24.510 -6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.834 -25.664 -7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.683 -24.229 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.190 -23.205 -8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.485 -24.611 -9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.020 -24.119 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.536 -22.573 -8.778 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.432 -22.034 -10.992 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.566 -25.060 -11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.826 -24.988 -13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.934 -21.814 -12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.155 -23.166 -13.198 1.00 0.00 H new ATOM 127 N ILE A 9 -11.776 -25.516 -4.752 1.00 0.00 N ATOM 128 CA ILE A 9 -11.994 -26.206 -3.450 1.00 0.00 C ATOM 129 C ILE A 9 -12.961 -25.384 -2.594 1.00 0.00 C ATOM 130 O ILE A 9 -12.833 -24.182 -2.476 1.00 0.00 O ATOM 131 CB ILE A 9 -10.659 -26.348 -2.717 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.672 -27.120 -3.596 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.875 -27.108 -1.407 1.00 0.00 C ATOM 134 CD1 ILE A 9 -8.315 -27.195 -2.894 1.00 0.00 C ATOM 0 H ILE A 9 -11.373 -24.581 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.416 -27.195 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.257 -25.358 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.049 -28.124 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.567 -26.627 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.924 -27.210 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.577 -26.559 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.278 -28.098 -1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.612 -27.745 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.938 -26.187 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.428 -27.707 -1.938 1.00 0.00 H new ATOM 146 N LYS A 10 -13.928 -26.024 -1.994 1.00 0.00 N ATOM 147 CA LYS A 10 -14.900 -25.279 -1.148 1.00 0.00 C ATOM 148 C LYS A 10 -14.627 -25.580 0.327 1.00 0.00 C ATOM 149 O LYS A 10 -14.464 -26.719 0.719 1.00 0.00 O ATOM 150 CB LYS A 10 -16.323 -25.713 -1.501 1.00 0.00 C ATOM 151 CG LYS A 10 -16.696 -25.165 -2.880 1.00 0.00 C ATOM 152 CD LYS A 10 -18.150 -25.521 -3.195 1.00 0.00 C ATOM 153 CE LYS A 10 -18.458 -25.168 -4.652 1.00 0.00 C ATOM 154 NZ LYS A 10 -19.919 -24.914 -4.803 1.00 0.00 N ATOM 0 H LYS A 10 -14.086 -27.030 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.792 -24.209 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.394 -26.801 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.023 -25.346 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.563 -24.083 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.035 -25.583 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.321 -26.584 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.821 -24.979 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.892 -24.286 -4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.150 -25.982 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.129 -24.674 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -20.449 -25.767 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.199 -24.123 -4.188 1.00 0.00 H new ATOM 168 N LEU A 11 -14.575 -24.568 1.150 1.00 0.00 N ATOM 169 CA LEU A 11 -14.312 -24.797 2.598 1.00 0.00 C ATOM 170 C LEU A 11 -15.574 -24.479 3.401 1.00 0.00 C ATOM 171 O LEU A 11 -16.270 -23.522 3.128 1.00 0.00 O ATOM 172 CB LEU A 11 -13.170 -23.889 3.059 1.00 0.00 C ATOM 173 CG LEU A 11 -11.915 -24.192 2.239 1.00 0.00 C ATOM 174 CD1 LEU A 11 -12.085 -23.639 0.822 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.703 -23.533 2.901 1.00 0.00 C ATOM 0 H LEU A 11 -14.703 -23.592 0.881 1.00 0.00 H new ATOM 0 HA LEU A 11 -14.033 -25.839 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.452 -22.843 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.971 -24.046 4.119 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.763 -25.270 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.191 -23.855 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.949 -24.107 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.237 -22.561 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.808 -23.748 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.855 -22.455 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.581 -23.926 3.910 1.00 0.00 H new ATOM 187 N LYS A 12 -15.875 -25.273 4.392 1.00 0.00 N ATOM 188 CA LYS A 12 -17.092 -25.014 5.211 1.00 0.00 C ATOM 189 C LYS A 12 -16.710 -24.960 6.692 1.00 0.00 C ATOM 190 O LYS A 12 -16.049 -25.841 7.204 1.00 0.00 O ATOM 191 CB LYS A 12 -18.107 -26.136 4.987 1.00 0.00 C ATOM 192 CG LYS A 12 -18.543 -26.143 3.520 1.00 0.00 C ATOM 193 CD LYS A 12 -19.647 -27.185 3.322 1.00 0.00 C ATOM 194 CE LYS A 12 -20.000 -27.274 1.835 1.00 0.00 C ATOM 195 NZ LYS A 12 -21.465 -27.510 1.686 1.00 0.00 N ATOM 0 H LYS A 12 -15.331 -26.090 4.670 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.532 -24.062 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.667 -27.097 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.972 -25.993 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.904 -25.156 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.693 -26.372 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.315 -28.157 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.529 -26.911 3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -19.716 -26.353 1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.441 -28.083 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.706 -27.571 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.723 -28.400 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.989 -26.724 2.120 1.00 0.00 H new ATOM 209 N ALA A 13 -17.123 -23.933 7.383 1.00 0.00 N ATOM 210 CA ALA A 13 -16.785 -23.825 8.829 1.00 0.00 C ATOM 211 C ALA A 13 -17.698 -22.789 9.489 1.00 0.00 C ATOM 212 O ALA A 13 -18.161 -21.862 8.855 1.00 0.00 O ATOM 213 CB ALA A 13 -15.326 -23.388 8.982 1.00 0.00 C ATOM 0 H ALA A 13 -17.680 -23.165 7.008 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.926 -24.794 9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.079 -23.309 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.674 -24.124 8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.184 -22.419 8.503 1.00 0.00 H new ATOM 219 N TYR A 14 -17.962 -22.940 10.757 1.00 0.00 N ATOM 220 CA TYR A 14 -18.845 -21.965 11.456 1.00 0.00 C ATOM 221 C TYR A 14 -18.104 -20.638 11.631 1.00 0.00 C ATOM 222 O TYR A 14 -18.701 -19.579 11.644 1.00 0.00 O ATOM 223 CB TYR A 14 -19.231 -22.520 12.829 1.00 0.00 C ATOM 224 CG TYR A 14 -20.010 -23.801 12.653 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.372 -23.755 12.332 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.370 -25.037 12.811 1.00 0.00 C ATOM 227 CE1 TYR A 14 -22.094 -24.943 12.170 1.00 0.00 C ATOM 228 CE2 TYR A 14 -20.092 -26.226 12.649 1.00 0.00 C ATOM 229 CZ TYR A 14 -21.454 -26.178 12.327 1.00 0.00 C ATOM 230 OH TYR A 14 -22.166 -27.350 12.168 1.00 0.00 O ATOM 0 H TYR A 14 -17.604 -23.697 11.340 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.746 -21.801 10.864 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.336 -22.705 13.423 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.830 -21.790 13.373 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.866 -22.802 12.209 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.319 -25.073 13.058 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.145 -24.907 11.924 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -19.599 -27.179 12.772 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.571 -28.116 12.310 1.00 0.00 H new ATOM 240 N ASP A 15 -16.807 -20.685 11.767 1.00 0.00 N ATOM 241 CA ASP A 15 -16.029 -19.426 11.942 1.00 0.00 C ATOM 242 C ASP A 15 -15.458 -18.985 10.593 1.00 0.00 C ATOM 243 O ASP A 15 -14.632 -19.656 10.008 1.00 0.00 O ATOM 244 CB ASP A 15 -14.884 -19.667 12.926 1.00 0.00 C ATOM 245 CG ASP A 15 -15.456 -19.891 14.328 1.00 0.00 C ATOM 246 OD1 ASP A 15 -16.636 -19.642 14.513 1.00 0.00 O ATOM 247 OD2 ASP A 15 -14.702 -20.307 15.193 1.00 0.00 O ATOM 0 H ASP A 15 -16.252 -21.541 11.764 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.684 -18.646 12.330 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.301 -20.534 12.617 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.207 -18.812 12.930 1.00 0.00 H new ATOM 252 N HIS A 16 -15.892 -17.858 10.096 1.00 0.00 N ATOM 253 CA HIS A 16 -15.374 -17.373 8.785 1.00 0.00 C ATOM 254 C HIS A 16 -13.863 -17.153 8.885 1.00 0.00 C ATOM 255 O HIS A 16 -13.109 -17.567 8.027 1.00 0.00 O ATOM 256 CB HIS A 16 -16.059 -16.053 8.427 1.00 0.00 C ATOM 257 CG HIS A 16 -15.549 -15.565 7.099 1.00 0.00 C ATOM 258 ND1 HIS A 16 -14.730 -14.453 6.985 1.00 0.00 N ATOM 259 CD2 HIS A 16 -15.734 -16.026 5.818 1.00 0.00 C ATOM 260 CE1 HIS A 16 -14.456 -14.283 5.679 1.00 0.00 C ATOM 261 NE2 HIS A 16 -15.043 -15.215 4.924 1.00 0.00 N ATOM 0 H HIS A 16 -16.582 -17.253 10.541 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.583 -18.113 8.013 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -17.139 -16.192 8.385 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -15.863 -15.309 9.199 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -14.396 -13.869 7.752 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.326 -16.887 5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.837 -13.489 5.289 1.00 0.00 H new ATOM 269 N GLU A 17 -13.416 -16.508 9.927 1.00 0.00 N ATOM 270 CA GLU A 17 -11.954 -16.265 10.080 1.00 0.00 C ATOM 271 C GLU A 17 -11.212 -17.602 10.038 1.00 0.00 C ATOM 272 O GLU A 17 -10.171 -17.726 9.423 1.00 0.00 O ATOM 273 CB GLU A 17 -11.688 -15.573 11.418 1.00 0.00 C ATOM 274 CG GLU A 17 -10.223 -15.138 11.484 1.00 0.00 C ATOM 275 CD GLU A 17 -9.952 -14.464 12.830 1.00 0.00 C ATOM 276 OE1 GLU A 17 -10.874 -14.377 13.623 1.00 0.00 O ATOM 277 OE2 GLU A 17 -8.826 -14.045 13.045 1.00 0.00 O ATOM 0 H GLU A 17 -13.999 -16.139 10.678 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.603 -15.628 9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.341 -14.707 11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.915 -16.250 12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.570 -16.002 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.000 -14.450 10.669 1.00 0.00 H new ATOM 284 N LEU A 18 -11.739 -18.603 10.688 1.00 0.00 N ATOM 285 CA LEU A 18 -11.063 -19.932 10.683 1.00 0.00 C ATOM 286 C LEU A 18 -10.894 -20.408 9.238 1.00 0.00 C ATOM 287 O LEU A 18 -9.880 -20.970 8.875 1.00 0.00 O ATOM 288 CB LEU A 18 -11.914 -20.939 11.456 1.00 0.00 C ATOM 289 CG LEU A 18 -11.052 -22.142 11.846 1.00 0.00 C ATOM 290 CD1 LEU A 18 -10.597 -22.875 10.581 1.00 0.00 C ATOM 291 CD2 LEU A 18 -9.827 -21.663 12.626 1.00 0.00 C ATOM 0 H LEU A 18 -12.607 -18.559 11.222 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.085 -19.847 11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.329 -20.471 12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.756 -21.264 10.845 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.636 -22.819 12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.983 -23.732 10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.470 -23.218 10.026 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.014 -22.197 9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.214 -22.521 12.903 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.242 -20.985 12.005 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.150 -21.142 13.527 1.00 0.00 H new ATOM 303 N LEU A 19 -11.879 -20.184 8.412 1.00 0.00 N ATOM 304 CA LEU A 19 -11.776 -20.621 6.992 1.00 0.00 C ATOM 305 C LEU A 19 -10.606 -19.897 6.324 1.00 0.00 C ATOM 306 O LEU A 19 -9.878 -20.467 5.535 1.00 0.00 O ATOM 307 CB LEU A 19 -13.073 -20.280 6.260 1.00 0.00 C ATOM 308 CG LEU A 19 -14.211 -21.143 6.810 1.00 0.00 C ATOM 309 CD1 LEU A 19 -15.497 -20.841 6.039 1.00 0.00 C ATOM 310 CD2 LEU A 19 -13.853 -22.621 6.649 1.00 0.00 C ATOM 0 H LEU A 19 -12.751 -19.717 8.660 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.610 -21.697 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.309 -19.224 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.956 -20.453 5.190 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.360 -20.919 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.308 -21.455 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.751 -19.787 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.349 -21.065 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.663 -23.236 7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.704 -22.846 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.936 -22.835 7.199 1.00 0.00 H new ATOM 322 N ASP A 20 -10.419 -18.642 6.632 1.00 0.00 N ATOM 323 CA ASP A 20 -9.297 -17.882 6.015 1.00 0.00 C ATOM 324 C ASP A 20 -7.968 -18.554 6.369 1.00 0.00 C ATOM 325 O ASP A 20 -7.072 -18.646 5.555 1.00 0.00 O ATOM 326 CB ASP A 20 -9.298 -16.448 6.547 1.00 0.00 C ATOM 327 CG ASP A 20 -8.341 -15.594 5.714 1.00 0.00 C ATOM 328 OD1 ASP A 20 -7.820 -16.106 4.737 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.144 -14.443 6.068 1.00 0.00 O ATOM 0 H ASP A 20 -10.996 -18.111 7.285 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.421 -17.869 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.305 -16.033 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.995 -16.437 7.594 1.00 0.00 H new ATOM 334 N GLU A 21 -7.835 -19.026 7.580 1.00 0.00 N ATOM 335 CA GLU A 21 -6.565 -19.691 7.986 1.00 0.00 C ATOM 336 C GLU A 21 -6.376 -20.974 7.173 1.00 0.00 C ATOM 337 O GLU A 21 -5.278 -21.314 6.778 1.00 0.00 O ATOM 338 CB GLU A 21 -6.623 -20.035 9.475 1.00 0.00 C ATOM 339 CG GLU A 21 -6.688 -18.745 10.294 1.00 0.00 C ATOM 340 CD GLU A 21 -6.683 -19.087 11.787 1.00 0.00 C ATOM 341 OE1 GLU A 21 -6.792 -20.259 12.106 1.00 0.00 O ATOM 342 OE2 GLU A 21 -6.569 -18.170 12.583 1.00 0.00 O ATOM 0 H GLU A 21 -8.551 -18.979 8.305 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.728 -19.018 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.496 -20.654 9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.745 -20.615 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.838 -18.106 10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.589 -18.186 10.041 1.00 0.00 H new ATOM 349 N SER A 22 -7.437 -21.689 6.921 1.00 0.00 N ATOM 350 CA SER A 22 -7.316 -22.950 6.135 1.00 0.00 C ATOM 351 C SER A 22 -6.876 -22.621 4.706 1.00 0.00 C ATOM 352 O SER A 22 -6.166 -23.380 4.076 1.00 0.00 O ATOM 353 CB SER A 22 -8.671 -23.660 6.100 1.00 0.00 C ATOM 354 OG SER A 22 -9.589 -22.892 5.337 1.00 0.00 O ATOM 0 H SER A 22 -8.382 -21.455 7.225 1.00 0.00 H new ATOM 0 HA SER A 22 -6.576 -23.600 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.562 -24.653 5.665 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.049 -23.796 7.113 1.00 0.00 H new ATOM 0 HG SER A 22 -9.698 -22.009 5.748 1.00 0.00 H new ATOM 360 N ALA A 23 -7.291 -21.498 4.191 1.00 0.00 N ATOM 361 CA ALA A 23 -6.897 -21.123 2.803 1.00 0.00 C ATOM 362 C ALA A 23 -5.430 -20.686 2.787 1.00 0.00 C ATOM 363 O ALA A 23 -4.715 -20.915 1.832 1.00 0.00 O ATOM 364 CB ALA A 23 -7.779 -19.970 2.318 1.00 0.00 C ATOM 0 H ALA A 23 -7.886 -20.823 4.671 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.025 -21.982 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.492 -19.695 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.823 -20.282 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.650 -19.111 2.977 1.00 0.00 H new ATOM 370 N LYS A 24 -4.978 -20.056 3.836 1.00 0.00 N ATOM 371 CA LYS A 24 -3.558 -19.604 3.880 1.00 0.00 C ATOM 372 C LYS A 24 -2.632 -20.822 3.845 1.00 0.00 C ATOM 373 O LYS A 24 -1.642 -20.841 3.141 1.00 0.00 O ATOM 374 CB LYS A 24 -3.316 -18.816 5.168 1.00 0.00 C ATOM 375 CG LYS A 24 -1.887 -18.268 5.171 1.00 0.00 C ATOM 376 CD LYS A 24 -1.612 -17.566 6.502 1.00 0.00 C ATOM 377 CE LYS A 24 -0.246 -16.879 6.445 1.00 0.00 C ATOM 378 NZ LYS A 24 -0.280 -15.788 5.430 1.00 0.00 N ATOM 0 H LYS A 24 -5.530 -19.834 4.665 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.352 -18.968 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.031 -17.997 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.472 -19.458 6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.175 -19.080 5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.752 -17.570 4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.392 -16.832 6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.633 -18.289 7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.009 -16.472 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.527 -17.604 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.461 -15.091 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.115 -16.188 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.210 -15.323 5.451 1.00 0.00 H new ATOM 392 N LYS A 25 -2.945 -21.839 4.601 1.00 0.00 N ATOM 393 CA LYS A 25 -2.082 -23.054 4.612 1.00 0.00 C ATOM 394 C LYS A 25 -2.108 -23.712 3.232 1.00 0.00 C ATOM 395 O LYS A 25 -1.084 -24.082 2.691 1.00 0.00 O ATOM 396 CB LYS A 25 -2.605 -24.041 5.657 1.00 0.00 C ATOM 397 CG LYS A 25 -2.429 -23.444 7.055 1.00 0.00 C ATOM 398 CD LYS A 25 -2.812 -24.489 8.105 1.00 0.00 C ATOM 399 CE LYS A 25 -2.749 -23.858 9.499 1.00 0.00 C ATOM 400 NZ LYS A 25 -2.988 -24.907 10.529 1.00 0.00 N ATOM 0 H LYS A 25 -3.761 -21.881 5.211 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.059 -22.770 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.657 -24.259 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.066 -24.986 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.396 -23.128 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.052 -22.557 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.816 -24.866 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.135 -25.342 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.775 -23.394 9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.496 -23.069 9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.979 -24.474 11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.912 -25.354 10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.240 -25.627 10.471 1.00 0.00 H new ATOM 414 N ILE A 26 -3.269 -23.863 2.656 1.00 0.00 N ATOM 415 CA ILE A 26 -3.358 -24.499 1.312 1.00 0.00 C ATOM 416 C ILE A 26 -2.760 -23.562 0.261 1.00 0.00 C ATOM 417 O ILE A 26 -2.016 -23.979 -0.604 1.00 0.00 O ATOM 418 CB ILE A 26 -4.825 -24.774 0.974 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.447 -25.648 2.065 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.912 -25.498 -0.370 1.00 0.00 C ATOM 421 CD1 ILE A 26 -4.529 -26.839 2.348 1.00 0.00 C ATOM 0 H ILE A 26 -4.160 -23.573 3.059 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.804 -25.437 1.318 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.366 -23.829 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.594 -25.064 2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.429 -25.999 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.957 -25.694 -0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.471 -24.875 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.370 -26.442 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.971 -27.462 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.405 -27.427 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.557 -26.477 2.682 1.00 0.00 H new ATOM 433 N VAL A 27 -3.079 -22.299 0.329 1.00 0.00 N ATOM 434 CA VAL A 27 -2.529 -21.337 -0.668 1.00 0.00 C ATOM 435 C VAL A 27 -1.008 -21.258 -0.518 1.00 0.00 C ATOM 436 O VAL A 27 -0.278 -21.275 -1.489 1.00 0.00 O ATOM 437 CB VAL A 27 -3.138 -19.954 -0.428 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.456 -18.930 -1.338 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.636 -19.995 -0.739 1.00 0.00 C ATOM 0 H VAL A 27 -3.696 -21.891 1.031 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.776 -21.675 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.991 -19.669 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.890 -17.945 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.389 -18.900 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.602 -19.215 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.070 -19.010 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.784 -20.281 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.122 -20.723 -0.090 1.00 0.00 H new ATOM 449 N GLU A 28 -0.525 -21.172 0.692 1.00 0.00 N ATOM 450 CA GLU A 28 0.948 -21.092 0.901 1.00 0.00 C ATOM 451 C GLU A 28 1.609 -22.370 0.381 1.00 0.00 C ATOM 452 O GLU A 28 2.614 -22.328 -0.300 1.00 0.00 O ATOM 453 CB GLU A 28 1.243 -20.936 2.394 1.00 0.00 C ATOM 454 CG GLU A 28 2.739 -20.687 2.595 1.00 0.00 C ATOM 455 CD GLU A 28 3.103 -19.302 2.055 1.00 0.00 C ATOM 456 OE1 GLU A 28 2.219 -18.464 1.986 1.00 0.00 O ATOM 457 OE2 GLU A 28 4.258 -19.104 1.720 1.00 0.00 O ATOM 0 H GLU A 28 -1.086 -21.154 1.543 1.00 0.00 H new ATOM 0 HA GLU A 28 1.345 -20.233 0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.667 -20.107 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.937 -21.834 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.991 -20.754 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.318 -21.454 2.080 1.00 0.00 H new ATOM 464 N VAL A 29 1.054 -23.509 0.698 1.00 0.00 N ATOM 465 CA VAL A 29 1.653 -24.787 0.220 1.00 0.00 C ATOM 466 C VAL A 29 1.415 -24.933 -1.283 1.00 0.00 C ATOM 467 O VAL A 29 2.284 -25.354 -2.021 1.00 0.00 O ATOM 468 CB VAL A 29 1.004 -25.961 0.957 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.713 -27.260 0.569 1.00 0.00 C ATOM 470 CG2 VAL A 29 1.124 -25.745 2.467 1.00 0.00 C ATOM 0 H VAL A 29 0.213 -23.609 1.266 1.00 0.00 H new ATOM 0 HA VAL A 29 2.725 -24.782 0.418 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.049 -26.025 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.252 -28.097 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.627 -27.414 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.766 -27.196 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.662 -26.581 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.177 -25.681 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.619 -24.819 2.743 1.00 0.00 H new ATOM 480 N ALA A 30 0.243 -24.590 -1.744 1.00 0.00 N ATOM 481 CA ALA A 30 -0.048 -24.711 -3.201 1.00 0.00 C ATOM 482 C ALA A 30 0.829 -23.729 -3.981 1.00 0.00 C ATOM 483 O ALA A 30 1.430 -24.076 -4.979 1.00 0.00 O ATOM 484 CB ALA A 30 -1.523 -24.388 -3.454 1.00 0.00 C ATOM 0 H ALA A 30 -0.525 -24.232 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 30 0.165 -25.728 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.737 -24.476 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.149 -25.087 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.734 -23.371 -3.124 1.00 0.00 H new ATOM 490 N LYS A 31 0.909 -22.506 -3.534 1.00 0.00 N ATOM 491 CA LYS A 31 1.747 -21.505 -4.251 1.00 0.00 C ATOM 492 C LYS A 31 3.197 -21.992 -4.299 1.00 0.00 C ATOM 493 O LYS A 31 3.882 -21.834 -5.290 1.00 0.00 O ATOM 494 CB LYS A 31 1.685 -20.166 -3.512 1.00 0.00 C ATOM 495 CG LYS A 31 2.319 -19.076 -4.379 1.00 0.00 C ATOM 496 CD LYS A 31 2.303 -17.747 -3.620 1.00 0.00 C ATOM 497 CE LYS A 31 2.793 -16.629 -4.541 1.00 0.00 C ATOM 498 NZ LYS A 31 4.163 -16.953 -5.031 1.00 0.00 N ATOM 0 H LYS A 31 0.430 -22.157 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 31 1.372 -21.379 -5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.650 -19.910 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.210 -20.239 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.343 -19.349 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.772 -18.978 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.294 -17.528 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.940 -17.812 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.112 -16.513 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.802 -15.680 -4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.602 -16.097 -5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.740 -17.306 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.104 -17.683 -5.770 1.00 0.00 H new ATOM 512 N SER A 32 3.668 -22.585 -3.237 1.00 0.00 N ATOM 513 CA SER A 32 5.073 -23.081 -3.223 1.00 0.00 C ATOM 514 C SER A 32 5.267 -24.099 -4.349 1.00 0.00 C ATOM 515 O SER A 32 6.339 -24.226 -4.905 1.00 0.00 O ATOM 516 CB SER A 32 5.364 -23.750 -1.877 1.00 0.00 C ATOM 517 OG SER A 32 5.076 -22.840 -0.825 1.00 0.00 O ATOM 0 H SER A 32 3.141 -22.748 -2.379 1.00 0.00 H new ATOM 0 HA SER A 32 5.755 -22.243 -3.369 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.760 -24.651 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.408 -24.058 -1.830 1.00 0.00 H new ATOM 0 HG SER A 32 4.131 -22.916 -0.576 1.00 0.00 H new ATOM 523 N THR A 33 4.237 -24.825 -4.690 1.00 0.00 N ATOM 524 CA THR A 33 4.363 -25.833 -5.780 1.00 0.00 C ATOM 525 C THR A 33 4.385 -25.121 -7.134 1.00 0.00 C ATOM 526 O THR A 33 4.010 -23.970 -7.248 1.00 0.00 O ATOM 527 CB THR A 33 3.175 -26.795 -5.726 1.00 0.00 C ATOM 528 OG1 THR A 33 2.003 -26.120 -6.160 1.00 0.00 O ATOM 529 CG2 THR A 33 2.980 -27.291 -4.293 1.00 0.00 C ATOM 0 H THR A 33 3.314 -24.763 -4.261 1.00 0.00 H new ATOM 0 HA THR A 33 5.289 -26.394 -5.651 1.00 0.00 H new ATOM 0 HB THR A 33 3.367 -27.647 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.018 -25.196 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.133 -27.976 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.880 -27.809 -3.962 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.788 -26.442 -3.637 1.00 0.00 H new ATOM 537 N ASN A 34 4.818 -25.796 -8.163 1.00 0.00 N ATOM 538 CA ASN A 34 4.862 -25.160 -9.509 1.00 0.00 C ATOM 539 C ASN A 34 3.469 -24.643 -9.875 1.00 0.00 C ATOM 540 O ASN A 34 3.324 -23.637 -10.541 1.00 0.00 O ATOM 541 CB ASN A 34 5.314 -26.189 -10.546 1.00 0.00 C ATOM 542 CG ASN A 34 6.727 -26.667 -10.208 1.00 0.00 C ATOM 543 OD1 ASN A 34 7.455 -25.997 -9.503 1.00 0.00 O ATOM 544 ND2 ASN A 34 7.148 -27.807 -10.683 1.00 0.00 N ATOM 0 H ASN A 34 5.144 -26.762 -8.129 1.00 0.00 H new ATOM 0 HA ASN A 34 5.566 -24.328 -9.494 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.626 -27.034 -10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.296 -25.748 -11.543 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.088 -28.135 -10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.537 -28.370 -11.275 1.00 0.00 H new ATOM 551 N SER A 35 2.442 -25.324 -9.445 1.00 0.00 N ATOM 552 CA SER A 35 1.060 -24.871 -9.769 1.00 0.00 C ATOM 553 C SER A 35 0.772 -23.555 -9.044 1.00 0.00 C ATOM 554 O SER A 35 1.437 -23.204 -8.089 1.00 0.00 O ATOM 555 CB SER A 35 0.056 -25.933 -9.317 1.00 0.00 C ATOM 556 OG SER A 35 -0.016 -25.943 -7.899 1.00 0.00 O ATOM 0 H SER A 35 2.500 -26.174 -8.884 1.00 0.00 H new ATOM 0 HA SER A 35 0.970 -24.721 -10.845 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.926 -25.724 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.358 -26.914 -9.683 1.00 0.00 H new ATOM 0 HG SER A 35 0.877 -26.099 -7.527 1.00 0.00 H new ATOM 562 N LYS A 36 -0.213 -22.825 -9.489 1.00 0.00 N ATOM 563 CA LYS A 36 -0.540 -21.533 -8.825 1.00 0.00 C ATOM 564 C LYS A 36 -1.999 -21.551 -8.363 1.00 0.00 C ATOM 565 O LYS A 36 -2.878 -22.008 -9.068 1.00 0.00 O ATOM 566 CB LYS A 36 -0.333 -20.384 -9.814 1.00 0.00 C ATOM 567 CG LYS A 36 -0.468 -19.048 -9.080 1.00 0.00 C ATOM 568 CD LYS A 36 -0.308 -17.899 -10.078 1.00 0.00 C ATOM 569 CE LYS A 36 -0.278 -16.569 -9.324 1.00 0.00 C ATOM 570 NZ LYS A 36 0.272 -15.506 -10.213 1.00 0.00 N ATOM 0 H LYS A 36 -0.805 -23.067 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 36 0.112 -21.393 -7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.652 -20.460 -10.275 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.067 -20.445 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.440 -18.986 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.288 -18.973 -8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.611 -18.026 -10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.132 -17.906 -10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.283 -16.301 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.335 -16.661 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.293 -14.601 -9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.237 -15.761 -10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.330 -15.413 -11.056 1.00 0.00 H new ATOM 584 N VAL A 37 -2.265 -21.058 -7.185 1.00 0.00 N ATOM 585 CA VAL A 37 -3.667 -21.048 -6.680 1.00 0.00 C ATOM 586 C VAL A 37 -4.162 -19.604 -6.579 1.00 0.00 C ATOM 587 O VAL A 37 -3.432 -18.714 -6.192 1.00 0.00 O ATOM 588 CB VAL A 37 -3.717 -21.702 -5.299 1.00 0.00 C ATOM 589 CG1 VAL A 37 -5.169 -21.776 -4.823 1.00 0.00 C ATOM 590 CG2 VAL A 37 -3.134 -23.114 -5.380 1.00 0.00 C ATOM 0 H VAL A 37 -1.572 -20.662 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.305 -21.604 -7.368 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.133 -21.109 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.206 -22.242 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.584 -20.770 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.753 -22.369 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.170 -23.580 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.717 -23.708 -6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.099 -23.062 -5.719 1.00 0.00 H new ATOM 600 N SER A 38 -5.398 -19.366 -6.923 1.00 0.00 N ATOM 601 CA SER A 38 -5.939 -17.980 -6.847 1.00 0.00 C ATOM 602 C SER A 38 -7.036 -17.917 -5.783 1.00 0.00 C ATOM 603 O SER A 38 -7.767 -18.865 -5.575 1.00 0.00 O ATOM 604 CB SER A 38 -6.521 -17.584 -8.204 1.00 0.00 C ATOM 605 OG SER A 38 -5.487 -17.571 -9.177 1.00 0.00 O ATOM 0 H SER A 38 -6.056 -20.072 -7.253 1.00 0.00 H new ATOM 0 HA SER A 38 -5.136 -17.292 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.301 -18.287 -8.496 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.986 -16.600 -8.139 1.00 0.00 H new ATOM 0 HG SER A 38 -5.860 -17.319 -10.047 1.00 0.00 H new ATOM 611 N GLY A 39 -7.157 -16.808 -5.105 1.00 0.00 N ATOM 612 CA GLY A 39 -8.205 -16.686 -4.055 1.00 0.00 C ATOM 613 C GLY A 39 -7.553 -16.297 -2.727 1.00 0.00 C ATOM 614 O GLY A 39 -6.539 -15.629 -2.696 1.00 0.00 O ATOM 0 H GLY A 39 -6.574 -15.981 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.940 -15.935 -4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.739 -17.630 -3.948 1.00 0.00 H new ATOM 618 N PRO A 40 -8.152 -16.729 -1.608 1.00 0.00 N ATOM 619 CA PRO A 40 -9.378 -17.537 -1.624 1.00 0.00 C ATOM 620 C PRO A 40 -10.591 -16.721 -2.080 1.00 0.00 C ATOM 621 O PRO A 40 -10.676 -15.533 -1.841 1.00 0.00 O ATOM 622 CB PRO A 40 -9.550 -17.956 -0.164 1.00 0.00 C ATOM 623 CG PRO A 40 -8.836 -16.901 0.614 1.00 0.00 C ATOM 624 CD PRO A 40 -7.680 -16.462 -0.238 1.00 0.00 C ATOM 0 HA PRO A 40 -9.306 -18.376 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.603 -18.009 0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.123 -18.942 0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.498 -16.063 0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.488 -17.291 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.448 -15.407 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.774 -17.023 -0.008 1.00 0.00 H new ATOM 632 N ILE A 41 -11.528 -17.350 -2.735 1.00 0.00 N ATOM 633 CA ILE A 41 -12.734 -16.611 -3.205 1.00 0.00 C ATOM 634 C ILE A 41 -13.816 -16.658 -2.125 1.00 0.00 C ATOM 635 O ILE A 41 -14.163 -17.711 -1.626 1.00 0.00 O ATOM 636 CB ILE A 41 -13.266 -17.261 -4.483 1.00 0.00 C ATOM 637 CG1 ILE A 41 -12.176 -17.245 -5.557 1.00 0.00 C ATOM 638 CG2 ILE A 41 -14.484 -16.481 -4.981 1.00 0.00 C ATOM 639 CD1 ILE A 41 -11.471 -18.602 -5.590 1.00 0.00 C ATOM 0 H ILE A 41 -11.511 -18.344 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.466 -15.574 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.554 -18.291 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.614 -17.027 -6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.456 -16.454 -5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.864 -16.943 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -15.261 -16.493 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.196 -15.451 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.695 -18.590 -6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.020 -18.801 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.196 -19.383 -5.820 1.00 0.00 H new ATOM 651 N PRO A 42 -14.361 -15.488 -1.761 1.00 0.00 N ATOM 652 CA PRO A 42 -15.411 -15.386 -0.740 1.00 0.00 C ATOM 653 C PRO A 42 -16.744 -15.948 -1.244 1.00 0.00 C ATOM 654 O PRO A 42 -17.259 -15.530 -2.261 1.00 0.00 O ATOM 655 CB PRO A 42 -15.534 -13.882 -0.503 1.00 0.00 C ATOM 656 CG PRO A 42 -15.053 -13.259 -1.770 1.00 0.00 C ATOM 657 CD PRO A 42 -13.994 -14.174 -2.318 1.00 0.00 C ATOM 0 HA PRO A 42 -15.168 -15.953 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.564 -13.598 -0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.932 -13.565 0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.871 -13.143 -2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.648 -12.264 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.996 -14.184 -3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.996 -13.868 -2.004 1.00 0.00 H new ATOM 665 N LEU A 43 -17.303 -16.895 -0.542 1.00 0.00 N ATOM 666 CA LEU A 43 -18.598 -17.484 -0.986 1.00 0.00 C ATOM 667 C LEU A 43 -19.724 -16.993 -0.074 1.00 0.00 C ATOM 668 O LEU A 43 -19.489 -16.335 0.919 1.00 0.00 O ATOM 669 CB LEU A 43 -18.508 -19.011 -0.918 1.00 0.00 C ATOM 670 CG LEU A 43 -18.379 -19.585 -2.335 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.374 -18.758 -3.141 1.00 0.00 C ATOM 672 CD2 LEU A 43 -17.891 -21.033 -2.254 1.00 0.00 C ATOM 0 H LEU A 43 -16.920 -17.286 0.319 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.807 -17.177 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.650 -19.308 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.395 -19.416 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.352 -19.550 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.287 -19.170 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.718 -17.725 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.401 -18.789 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.799 -21.443 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.920 -21.063 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -18.606 -21.627 -1.685 1.00 0.00 H new ATOM 684 N PRO A 44 -20.977 -17.323 -0.426 1.00 0.00 N ATOM 685 CA PRO A 44 -22.154 -16.920 0.353 1.00 0.00 C ATOM 686 C PRO A 44 -22.218 -17.638 1.705 1.00 0.00 C ATOM 687 O PRO A 44 -21.739 -18.744 1.855 1.00 0.00 O ATOM 688 CB PRO A 44 -23.330 -17.352 -0.524 1.00 0.00 C ATOM 689 CG PRO A 44 -22.784 -18.459 -1.361 1.00 0.00 C ATOM 690 CD PRO A 44 -21.342 -18.118 -1.611 1.00 0.00 C ATOM 0 HA PRO A 44 -22.145 -15.855 0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.173 -17.689 0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.689 -16.528 -1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.875 -19.417 -0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.333 -18.546 -2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.726 -19.013 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.216 -17.549 -2.532 1.00 0.00 H new ATOM 698 N THR A 45 -22.807 -17.016 2.690 1.00 0.00 N ATOM 699 CA THR A 45 -22.902 -17.662 4.030 1.00 0.00 C ATOM 700 C THR A 45 -24.374 -17.820 4.417 1.00 0.00 C ATOM 701 O THR A 45 -25.246 -17.199 3.843 1.00 0.00 O ATOM 702 CB THR A 45 -22.194 -16.788 5.068 1.00 0.00 C ATOM 703 OG1 THR A 45 -22.139 -17.480 6.308 1.00 0.00 O ATOM 704 CG2 THR A 45 -22.964 -15.478 5.246 1.00 0.00 C ATOM 0 H THR A 45 -23.226 -16.089 2.625 1.00 0.00 H new ATOM 0 HA THR A 45 -22.428 -18.643 3.995 1.00 0.00 H new ATOM 0 HB THR A 45 -21.182 -16.568 4.729 1.00 0.00 H new ATOM 0 HG1 THR A 45 -21.229 -17.434 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 45 -22.459 -14.857 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 45 -23.006 -14.948 4.294 1.00 0.00 H new ATOM 0 HG23 THR A 45 -23.977 -15.695 5.585 1.00 0.00 H new ATOM 762 N VAL A 49 -22.942 -20.170 9.058 1.00 0.00 N ATOM 763 CA VAL A 49 -21.950 -21.029 8.351 1.00 0.00 C ATOM 764 C VAL A 49 -21.347 -20.255 7.177 1.00 0.00 C ATOM 765 O VAL A 49 -22.047 -19.816 6.287 1.00 0.00 O ATOM 766 CB VAL A 49 -22.643 -22.288 7.828 1.00 0.00 C ATOM 767 CG1 VAL A 49 -21.610 -23.199 7.164 1.00 0.00 C ATOM 768 CG2 VAL A 49 -23.303 -23.030 8.993 1.00 0.00 C ATOM 0 HA VAL A 49 -21.158 -21.312 9.045 1.00 0.00 H new ATOM 0 HB VAL A 49 -23.403 -22.008 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -22.103 -24.097 6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -21.140 -22.672 6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.850 -23.479 7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.797 -23.927 8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.543 -23.311 9.723 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -24.039 -22.381 9.467 1.00 0.00 H new ATOM 778 N HIS A 50 -20.053 -20.086 7.167 1.00 0.00 N ATOM 779 CA HIS A 50 -19.407 -19.342 6.050 1.00 0.00 C ATOM 780 C HIS A 50 -18.697 -20.334 5.126 1.00 0.00 C ATOM 781 O HIS A 50 -18.250 -21.380 5.551 1.00 0.00 O ATOM 782 CB HIS A 50 -18.390 -18.353 6.617 1.00 0.00 C ATOM 783 CG HIS A 50 -19.075 -17.442 7.599 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.884 -16.392 7.193 1.00 0.00 N ATOM 785 CD2 HIS A 50 -19.083 -17.413 8.971 1.00 0.00 C ATOM 786 CE1 HIS A 50 -20.341 -15.782 8.300 1.00 0.00 C ATOM 787 NE2 HIS A 50 -19.884 -16.363 9.413 1.00 0.00 N ATOM 0 H HIS A 50 -19.415 -20.431 7.884 1.00 0.00 H new ATOM 0 HA HIS A 50 -20.165 -18.797 5.487 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.578 -18.890 7.107 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.945 -17.769 5.811 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.549 -18.100 9.611 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.999 -14.925 8.291 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -20.079 -16.095 10.378 1.00 0.00 H new ATOM 795 N LYS A 51 -18.591 -20.015 3.865 1.00 0.00 N ATOM 796 CA LYS A 51 -17.910 -20.945 2.919 1.00 0.00 C ATOM 797 C LYS A 51 -16.927 -20.164 2.045 1.00 0.00 C ATOM 798 O LYS A 51 -17.154 -19.020 1.704 1.00 0.00 O ATOM 799 CB LYS A 51 -18.956 -21.621 2.030 1.00 0.00 C ATOM 800 CG LYS A 51 -19.942 -22.399 2.903 1.00 0.00 C ATOM 801 CD LYS A 51 -20.819 -23.284 2.016 1.00 0.00 C ATOM 802 CE LYS A 51 -21.695 -22.403 1.123 1.00 0.00 C ATOM 803 NZ LYS A 51 -22.999 -22.154 1.798 1.00 0.00 N ATOM 0 H LYS A 51 -18.945 -19.153 3.449 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.366 -21.701 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.487 -20.873 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.469 -22.294 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.401 -23.011 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.563 -21.708 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.195 -23.935 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.444 -23.930 2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.192 -21.458 0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.858 -22.890 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.595 -21.555 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.480 -23.060 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.834 -21.673 2.705 1.00 0.00 H new ATOM 817 N ARG A 52 -15.836 -20.778 1.677 1.00 0.00 N ATOM 818 CA ARG A 52 -14.836 -20.078 0.822 1.00 0.00 C ATOM 819 C ARG A 52 -14.466 -20.978 -0.358 1.00 0.00 C ATOM 820 O ARG A 52 -14.482 -22.189 -0.256 1.00 0.00 O ATOM 821 CB ARG A 52 -13.583 -19.774 1.645 1.00 0.00 C ATOM 822 CG ARG A 52 -13.885 -18.649 2.638 1.00 0.00 C ATOM 823 CD ARG A 52 -12.587 -18.204 3.314 1.00 0.00 C ATOM 824 NE ARG A 52 -12.875 -17.084 4.254 1.00 0.00 N ATOM 825 CZ ARG A 52 -12.666 -15.850 3.885 1.00 0.00 C ATOM 826 NH1 ARG A 52 -13.041 -15.450 2.701 1.00 0.00 N ATOM 827 NH2 ARG A 52 -12.080 -15.016 4.700 1.00 0.00 N ATOM 0 H ARG A 52 -15.594 -21.735 1.932 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.260 -19.144 0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.260 -20.668 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.764 -19.483 0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.346 -17.807 2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.599 -18.992 3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.140 -19.039 3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.864 -17.886 2.563 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.236 -17.282 5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.498 -16.102 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.877 -14.485 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.786 -15.329 5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.916 -14.051 4.412 1.00 0.00 H new ATOM 841 N LEU A 53 -14.131 -20.399 -1.478 1.00 0.00 N ATOM 842 CA LEU A 53 -13.761 -21.225 -2.661 1.00 0.00 C ATOM 843 C LEU A 53 -12.352 -20.854 -3.124 1.00 0.00 C ATOM 844 O LEU A 53 -12.042 -19.700 -3.335 1.00 0.00 O ATOM 845 CB LEU A 53 -14.753 -20.966 -3.796 1.00 0.00 C ATOM 846 CG LEU A 53 -14.444 -21.903 -4.966 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.850 -23.330 -4.597 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.226 -21.453 -6.201 1.00 0.00 C ATOM 0 H LEU A 53 -14.098 -19.390 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.788 -22.280 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.773 -21.127 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.688 -19.927 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.376 -21.874 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.630 -23.998 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.292 -23.651 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.918 -23.360 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -15.006 -22.120 -7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.294 -21.482 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.936 -20.436 -6.465 1.00 0.00 H new ATOM 860 N ILE A 54 -11.496 -21.825 -3.284 1.00 0.00 N ATOM 861 CA ILE A 54 -10.108 -21.527 -3.736 1.00 0.00 C ATOM 862 C ILE A 54 -9.918 -22.045 -5.163 1.00 0.00 C ATOM 863 O ILE A 54 -10.186 -23.194 -5.457 1.00 0.00 O ATOM 864 CB ILE A 54 -9.109 -22.215 -2.803 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.355 -21.758 -1.364 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.685 -21.842 -3.220 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.418 -22.516 -0.422 1.00 0.00 C ATOM 0 H ILE A 54 -11.697 -22.812 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.940 -20.450 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.237 -23.296 -2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.185 -20.685 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.393 -21.940 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.972 -22.331 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.509 -22.167 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.558 -20.761 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.592 -22.191 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.610 -23.586 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.383 -22.312 -0.696 1.00 0.00 H new ATOM 879 N ASP A 55 -9.459 -21.208 -6.051 1.00 0.00 N ATOM 880 CA ASP A 55 -9.256 -21.655 -7.458 1.00 0.00 C ATOM 881 C ASP A 55 -7.793 -22.054 -7.665 1.00 0.00 C ATOM 882 O ASP A 55 -6.887 -21.395 -7.197 1.00 0.00 O ATOM 883 CB ASP A 55 -9.611 -20.512 -8.412 1.00 0.00 C ATOM 884 CG ASP A 55 -11.117 -20.251 -8.356 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.821 -21.076 -7.799 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.541 -19.230 -8.873 1.00 0.00 O ATOM 0 H ASP A 55 -9.216 -20.235 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.897 -22.513 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.064 -19.610 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.313 -20.767 -9.429 1.00 0.00 H new ATOM 891 N ILE A 56 -7.558 -23.129 -8.367 1.00 0.00 N ATOM 892 CA ILE A 56 -6.156 -23.570 -8.609 1.00 0.00 C ATOM 893 C ILE A 56 -5.872 -23.550 -10.112 1.00 0.00 C ATOM 894 O ILE A 56 -6.638 -24.062 -10.904 1.00 0.00 O ATOM 895 CB ILE A 56 -5.967 -24.991 -8.072 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.279 -25.018 -6.575 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.520 -25.434 -8.299 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.098 -26.441 -6.041 1.00 0.00 C ATOM 0 H ILE A 56 -8.277 -23.721 -8.783 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.468 -22.896 -8.098 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.641 -25.669 -8.595 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.620 -24.332 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.300 -24.679 -6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.385 -26.446 -7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.297 -25.416 -9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.846 -24.756 -7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.320 -26.460 -4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.775 -27.115 -6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.069 -26.762 -6.203 1.00 0.00 H new ATOM 910 N ILE A 57 -4.779 -22.960 -10.512 1.00 0.00 N ATOM 911 CA ILE A 57 -4.453 -22.906 -11.965 1.00 0.00 C ATOM 912 C ILE A 57 -3.225 -23.773 -12.248 1.00 0.00 C ATOM 913 O ILE A 57 -2.268 -23.775 -11.498 1.00 0.00 O ATOM 914 CB ILE A 57 -4.161 -21.459 -12.368 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.351 -20.574 -11.993 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.929 -21.389 -13.879 1.00 0.00 C ATOM 917 CD1 ILE A 57 -5.003 -19.109 -12.263 1.00 0.00 C ATOM 0 H ILE A 57 -4.099 -22.514 -9.897 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.300 -23.280 -12.541 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.270 -21.109 -11.846 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.229 -20.863 -12.571 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.603 -20.711 -10.941 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.721 -20.359 -14.168 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.081 -22.019 -14.146 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.820 -21.739 -14.400 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.851 -18.478 -11.996 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.137 -18.825 -11.665 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.773 -18.979 -13.320 1.00 0.00 H new ATOM 929 N ASP A 58 -3.244 -24.509 -13.325 1.00 0.00 N ATOM 930 CA ASP A 58 -2.078 -25.375 -13.657 1.00 0.00 C ATOM 931 C ASP A 58 -1.681 -26.195 -12.427 1.00 0.00 C ATOM 932 O ASP A 58 -0.563 -26.126 -11.959 1.00 0.00 O ATOM 933 CB ASP A 58 -0.899 -24.500 -14.088 1.00 0.00 C ATOM 934 CG ASP A 58 0.055 -25.320 -14.957 1.00 0.00 C ATOM 935 OD1 ASP A 58 -0.296 -25.596 -16.092 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.123 -25.658 -14.472 1.00 0.00 O ATOM 0 H ASP A 58 -4.017 -24.548 -13.990 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.348 -26.049 -14.470 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.259 -23.634 -14.643 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.374 -24.121 -13.211 1.00 0.00 H new ATOM 941 N PRO A 59 -2.626 -26.986 -11.898 1.00 0.00 N ATOM 942 CA PRO A 59 -2.385 -27.828 -10.719 1.00 0.00 C ATOM 943 C PRO A 59 -1.446 -28.997 -11.036 1.00 0.00 C ATOM 944 O PRO A 59 -1.552 -29.626 -12.069 1.00 0.00 O ATOM 945 CB PRO A 59 -3.775 -28.356 -10.366 1.00 0.00 C ATOM 946 CG PRO A 59 -4.533 -28.307 -11.650 1.00 0.00 C ATOM 947 CD PRO A 59 -4.002 -27.123 -12.408 1.00 0.00 C ATOM 0 HA PRO A 59 -1.907 -27.273 -9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.725 -29.372 -9.973 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.250 -27.741 -9.601 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.395 -29.227 -12.219 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.602 -28.204 -11.467 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.017 -27.294 -13.484 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.592 -26.226 -12.219 1.00 0.00 H new ATOM 955 N SER A 60 -0.530 -29.290 -10.154 1.00 0.00 N ATOM 956 CA SER A 60 0.414 -30.416 -10.405 1.00 0.00 C ATOM 957 C SER A 60 0.235 -31.482 -9.322 1.00 0.00 C ATOM 958 O SER A 60 -0.414 -31.258 -8.319 1.00 0.00 O ATOM 959 CB SER A 60 1.851 -29.894 -10.375 1.00 0.00 C ATOM 960 OG SER A 60 2.476 -30.154 -11.623 1.00 0.00 O ATOM 0 H SER A 60 -0.394 -28.799 -9.271 1.00 0.00 H new ATOM 0 HA SER A 60 0.207 -30.852 -11.382 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.856 -28.823 -10.170 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.407 -30.375 -9.571 1.00 0.00 H new ATOM 0 HG SER A 60 3.396 -29.818 -11.604 1.00 0.00 H new ATOM 966 N PRO A 61 0.828 -32.665 -9.534 1.00 0.00 N ATOM 967 CA PRO A 61 0.743 -33.778 -8.579 1.00 0.00 C ATOM 968 C PRO A 61 1.504 -33.473 -7.286 1.00 0.00 C ATOM 969 O PRO A 61 1.245 -34.054 -6.251 1.00 0.00 O ATOM 970 CB PRO A 61 1.408 -34.938 -9.321 1.00 0.00 C ATOM 971 CG PRO A 61 2.322 -34.280 -10.298 1.00 0.00 C ATOM 972 CD PRO A 61 1.634 -33.012 -10.718 1.00 0.00 C ATOM 0 HA PRO A 61 -0.284 -33.984 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.957 -35.584 -8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.670 -35.562 -9.825 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.290 -34.067 -9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.507 -34.926 -11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.349 -32.227 -10.964 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.012 -33.163 -11.600 1.00 0.00 H new ATOM 980 N LYS A 62 2.436 -32.562 -7.338 1.00 0.00 N ATOM 981 CA LYS A 62 3.208 -32.216 -6.112 1.00 0.00 C ATOM 982 C LYS A 62 2.282 -31.520 -5.113 1.00 0.00 C ATOM 983 O LYS A 62 2.522 -31.524 -3.922 1.00 0.00 O ATOM 984 CB LYS A 62 4.360 -31.280 -6.480 1.00 0.00 C ATOM 985 CG LYS A 62 5.217 -31.014 -5.241 1.00 0.00 C ATOM 986 CD LYS A 62 6.298 -29.985 -5.580 1.00 0.00 C ATOM 987 CE LYS A 62 7.250 -29.836 -4.391 1.00 0.00 C ATOM 988 NZ LYS A 62 7.101 -28.474 -3.804 1.00 0.00 N ATOM 0 H LYS A 62 2.696 -32.042 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 62 3.611 -33.125 -5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.968 -31.726 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.969 -30.342 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.593 -30.647 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.677 -31.941 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.851 -30.300 -6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.840 -29.024 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.031 -30.594 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.279 -29.994 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.748 -28.372 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.330 -27.759 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.121 -28.340 -3.482 1.00 0.00 H new ATOM 1002 N THR A 63 1.224 -30.921 -5.590 1.00 0.00 N ATOM 1003 CA THR A 63 0.282 -30.227 -4.668 1.00 0.00 C ATOM 1004 C THR A 63 -0.473 -31.266 -3.838 1.00 0.00 C ATOM 1005 O THR A 63 -0.687 -31.094 -2.654 1.00 0.00 O ATOM 1006 CB THR A 63 -0.717 -29.402 -5.484 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.009 -28.515 -6.338 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.610 -28.598 -4.538 1.00 0.00 C ATOM 0 H THR A 63 0.972 -30.883 -6.578 1.00 0.00 H new ATOM 0 HA THR A 63 0.841 -29.567 -4.005 1.00 0.00 H new ATOM 0 HB THR A 63 -1.336 -30.069 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.577 -27.746 -6.555 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.321 -28.011 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.153 -29.279 -3.883 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.994 -27.930 -3.936 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.878 -32.346 -4.450 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.617 -33.397 -3.696 1.00 0.00 C ATOM 1018 C ILE A 64 -0.672 -34.069 -2.700 1.00 0.00 C ATOM 1019 O ILE A 64 -1.045 -34.375 -1.584 1.00 0.00 O ATOM 1020 CB ILE A 64 -2.156 -34.442 -4.675 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -3.069 -33.762 -5.698 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -2.951 -35.499 -3.907 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.448 -34.765 -6.791 1.00 0.00 C ATOM 0 H ILE A 64 -0.729 -32.545 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.448 -32.942 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.322 -34.918 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.967 -33.387 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.563 -32.902 -6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.335 -36.243 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.302 -35.985 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.784 -35.023 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.098 -34.281 -7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.545 -35.119 -7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.971 -35.610 -6.344 1.00 0.00 H new ATOM 1035 N ASP A 65 0.551 -34.302 -3.092 1.00 0.00 N ATOM 1036 CA ASP A 65 1.519 -34.954 -2.166 1.00 0.00 C ATOM 1037 C ASP A 65 1.679 -34.096 -0.910 1.00 0.00 C ATOM 1038 O ASP A 65 1.743 -34.599 0.194 1.00 0.00 O ATOM 1039 CB ASP A 65 2.874 -35.100 -2.863 1.00 0.00 C ATOM 1040 CG ASP A 65 2.743 -36.077 -4.033 1.00 0.00 C ATOM 1041 OD1 ASP A 65 1.739 -36.768 -4.092 1.00 0.00 O ATOM 1042 OD2 ASP A 65 3.649 -36.116 -4.849 1.00 0.00 O ATOM 0 H ASP A 65 0.921 -34.069 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 65 1.148 -35.940 -1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.217 -34.130 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.622 -35.460 -2.156 1.00 0.00 H new ATOM 1047 N ALA A 66 1.746 -32.802 -1.070 1.00 0.00 N ATOM 1048 CA ALA A 66 1.900 -31.913 0.116 1.00 0.00 C ATOM 1049 C ALA A 66 0.641 -31.992 0.980 1.00 0.00 C ATOM 1050 O ALA A 66 0.705 -31.955 2.193 1.00 0.00 O ATOM 1051 CB ALA A 66 2.110 -30.471 -0.351 1.00 0.00 C ATOM 0 H ALA A 66 1.701 -32.323 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 66 2.762 -32.234 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.223 -29.820 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.008 -30.415 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.249 -30.149 -0.937 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.506 -32.100 0.365 1.00 0.00 N ATOM 1058 CA LEU A 67 -1.768 -32.183 1.151 1.00 0.00 C ATOM 1059 C LEU A 67 -1.750 -33.450 2.008 1.00 0.00 C ATOM 1060 O LEU A 67 -2.213 -33.458 3.132 1.00 0.00 O ATOM 1061 CB LEU A 67 -2.962 -32.228 0.197 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.261 -32.238 1.006 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.501 -30.848 1.601 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.429 -32.608 0.089 1.00 0.00 C ATOM 0 H LEU A 67 -0.622 -32.134 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.853 -31.309 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.942 -31.365 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.906 -33.117 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.184 -32.970 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.426 -30.854 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.669 -30.583 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.579 -30.117 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.355 -32.615 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.507 -31.876 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.258 -33.597 -0.337 1.00 0.00 H new ATOM 1076 N MET A 68 -1.218 -34.522 1.488 1.00 0.00 N ATOM 1077 CA MET A 68 -1.171 -35.788 2.273 1.00 0.00 C ATOM 1078 C MET A 68 -0.175 -35.634 3.425 1.00 0.00 C ATOM 1079 O MET A 68 -0.365 -36.171 4.498 1.00 0.00 O ATOM 1080 CB MET A 68 -0.727 -36.936 1.364 1.00 0.00 C ATOM 1081 CG MET A 68 -1.841 -37.256 0.366 1.00 0.00 C ATOM 1082 SD MET A 68 -1.387 -38.719 -0.597 1.00 0.00 S ATOM 1083 CE MET A 68 0.072 -38.014 -1.405 1.00 0.00 C ATOM 0 H MET A 68 -0.814 -34.576 0.553 1.00 0.00 H new ATOM 0 HA MET A 68 -2.161 -36.006 2.674 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.184 -36.662 0.833 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.495 -37.818 1.961 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.778 -37.432 0.895 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.004 -36.407 -0.298 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.374 -38.654 -2.234 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.166 -37.020 -1.783 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.888 -37.943 -0.686 1.00 0.00 H new ATOM 1093 N ARG A 69 0.885 -34.903 3.211 1.00 0.00 N ATOM 1094 CA ARG A 69 1.889 -34.714 4.295 1.00 0.00 C ATOM 1095 C ARG A 69 1.325 -33.763 5.352 1.00 0.00 C ATOM 1096 O ARG A 69 1.678 -33.831 6.513 1.00 0.00 O ATOM 1097 CB ARG A 69 3.170 -34.120 3.704 1.00 0.00 C ATOM 1098 CG ARG A 69 3.766 -35.099 2.690 1.00 0.00 C ATOM 1099 CD ARG A 69 5.091 -34.544 2.163 1.00 0.00 C ATOM 1100 NE ARG A 69 6.111 -34.584 3.247 1.00 0.00 N ATOM 1101 CZ ARG A 69 7.292 -34.063 3.051 1.00 0.00 C ATOM 1102 NH1 ARG A 69 8.088 -34.574 2.151 1.00 0.00 N ATOM 1103 NH2 ARG A 69 7.677 -33.035 3.755 1.00 0.00 N ATOM 0 H ARG A 69 1.099 -34.429 2.333 1.00 0.00 H new ATOM 0 HA ARG A 69 2.113 -35.676 4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.953 -33.167 3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.890 -33.918 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.927 -36.070 3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.070 -35.253 1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.429 -35.130 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.956 -33.520 1.814 1.00 0.00 H new ATOM 0 HE ARG A 69 5.887 -35.018 4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.787 -35.379 1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.011 -34.168 1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.055 -32.638 4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.600 -32.628 3.601 1.00 0.00 H new ATOM 1117 N ILE A 70 0.451 -32.877 4.961 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.136 -31.924 5.943 1.00 0.00 C ATOM 1119 C ILE A 70 -1.587 -32.315 6.227 1.00 0.00 C ATOM 1120 O ILE A 70 -2.330 -32.677 5.336 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.093 -30.508 5.367 1.00 0.00 C ATOM 1122 CG1 ILE A 70 1.349 -30.146 5.009 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -0.624 -29.519 6.406 1.00 0.00 C ATOM 1124 CD1 ILE A 70 1.371 -28.795 4.290 1.00 0.00 C ATOM 0 H ILE A 70 0.118 -32.772 4.003 1.00 0.00 H new ATOM 0 HA ILE A 70 0.437 -31.957 6.869 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.712 -30.462 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.959 -30.100 5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.781 -30.917 4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.594 -28.509 5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.652 -29.776 6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.005 -29.566 7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.398 -28.536 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.775 -28.858 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.955 -28.028 4.944 1.00 0.00 H new ATOM 1136 N ASN A 71 -1.998 -32.247 7.464 1.00 0.00 N ATOM 1137 CA ASN A 71 -3.401 -32.615 7.805 1.00 0.00 C ATOM 1138 C ASN A 71 -4.273 -31.358 7.810 1.00 0.00 C ATOM 1139 O ASN A 71 -3.871 -30.315 8.286 1.00 0.00 O ATOM 1140 CB ASN A 71 -3.437 -33.265 9.189 1.00 0.00 C ATOM 1141 CG ASN A 71 -2.590 -34.540 9.176 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -2.517 -35.225 8.176 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -1.943 -34.889 10.255 1.00 0.00 N ATOM 0 H ASN A 71 -1.423 -31.952 8.253 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.781 -33.318 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.057 -32.571 9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.465 -33.501 9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.376 -35.737 10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.004 -34.314 11.095 1.00 0.00 H new ATOM 1150 N LEU A 72 -5.464 -31.448 7.286 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.361 -30.258 7.262 1.00 0.00 C ATOM 1152 C LEU A 72 -6.615 -29.787 8.695 1.00 0.00 C ATOM 1153 O LEU A 72 -6.659 -30.575 9.619 1.00 0.00 O ATOM 1154 CB LEU A 72 -7.690 -30.633 6.604 1.00 0.00 C ATOM 1155 CG LEU A 72 -7.856 -29.840 5.305 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -7.501 -30.733 4.114 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -9.307 -29.371 5.176 1.00 0.00 C ATOM 0 H LEU A 72 -5.855 -32.295 6.873 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.889 -29.457 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.716 -31.703 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.517 -30.420 7.281 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.194 -28.974 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.619 -30.169 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.468 -31.068 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.163 -31.599 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.426 -28.806 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.969 -30.237 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.561 -28.736 6.024 1.00 0.00 H new ATOM 1169 N PRO A 73 -6.788 -28.470 8.879 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.041 -27.880 10.201 1.00 0.00 C ATOM 1171 C PRO A 73 -8.429 -28.248 10.731 1.00 0.00 C ATOM 1172 O PRO A 73 -9.388 -28.321 9.988 1.00 0.00 O ATOM 1173 CB PRO A 73 -6.960 -26.377 9.942 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.288 -26.225 8.495 1.00 0.00 C ATOM 1175 CD PRO A 73 -6.751 -27.453 7.815 1.00 0.00 C ATOM 0 HA PRO A 73 -6.334 -28.235 10.951 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.664 -25.829 10.568 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.966 -25.989 10.166 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.364 -26.136 8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.834 -25.323 8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.364 -27.741 6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.739 -27.297 7.442 1.00 0.00 H new ATOM 1183 N ALA A 74 -8.545 -28.480 12.010 1.00 0.00 N ATOM 1184 CA ALA A 74 -9.870 -28.843 12.585 1.00 0.00 C ATOM 1185 C ALA A 74 -10.807 -27.636 12.511 1.00 0.00 C ATOM 1186 O ALA A 74 -10.381 -26.501 12.604 1.00 0.00 O ATOM 1187 CB ALA A 74 -9.695 -29.264 14.046 1.00 0.00 C ATOM 0 H ALA A 74 -7.779 -28.434 12.682 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.297 -29.670 12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.665 -29.530 14.467 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.028 -30.125 14.099 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.267 -28.438 14.614 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.080 -27.870 12.346 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.042 -26.735 12.266 1.00 0.00 C ATOM 1195 C GLY A 75 -13.306 -26.387 10.800 1.00 0.00 C ATOM 1196 O GLY A 75 -13.989 -25.431 10.493 1.00 0.00 O ATOM 0 H GLY A 75 -12.495 -28.798 12.263 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.976 -27.001 12.761 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.640 -25.867 12.789 1.00 0.00 H new ATOM 1200 N VAL A 76 -12.771 -27.156 9.890 1.00 0.00 N ATOM 1201 CA VAL A 76 -12.994 -26.866 8.446 1.00 0.00 C ATOM 1202 C VAL A 76 -13.401 -28.153 7.725 1.00 0.00 C ATOM 1203 O VAL A 76 -12.991 -29.238 8.090 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.704 -26.323 7.830 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -11.934 -26.018 6.348 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.291 -25.042 8.556 1.00 0.00 C ATOM 0 H VAL A 76 -12.190 -27.971 10.085 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.786 -26.125 8.342 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.914 -27.067 7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.014 -25.631 5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.227 -26.931 5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.725 -25.274 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.371 -24.655 8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.081 -24.297 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.126 -25.259 9.611 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.206 -28.044 6.704 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.639 -29.262 5.962 1.00 0.00 C ATOM 1218 C ASP A 77 -14.512 -29.015 4.458 1.00 0.00 C ATOM 1219 O ASP A 77 -14.687 -27.911 3.983 1.00 0.00 O ATOM 1220 CB ASP A 77 -16.096 -29.578 6.306 1.00 0.00 C ATOM 1221 CG ASP A 77 -16.199 -29.976 7.779 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -15.167 -30.239 8.375 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -17.307 -30.011 8.288 1.00 0.00 O ATOM 0 H ASP A 77 -14.583 -27.164 6.351 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.008 -30.104 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.724 -28.709 6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.463 -30.387 5.674 1.00 0.00 H new