USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 548 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0 (180deg=-0.154) USER MOD Single : A 3 SER OG : rot 28:sc= 0.168 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.828 F(o=-1.6,f=-0.83) USER MOD Single : A 8 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -125:sc= 0.0977 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.045 (180deg=-0.324) USER MOD Single : A 21 SER OG : rot -42:sc= -0.0458 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 54:sc= 0.0103 USER MOD Single : A 36 HIS : no HE2:sc= -1.13 X(o=-1.1,f=-1.4) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.44) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.2) USER MOD Single : A 65 ASN : amide:sc= -0.0285 X(o=-0.028,f=-0.028) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.751 3.385 -7.151 1.00 0.00 N ATOM 2 CA MET A 1 0.906 2.388 -6.098 1.00 0.00 C ATOM 3 C MET A 1 -0.248 1.391 -6.119 1.00 0.00 C ATOM 4 O MET A 1 -0.735 0.969 -5.070 1.00 0.00 O ATOM 5 CB MET A 1 0.984 3.069 -4.730 1.00 0.00 C ATOM 6 CG MET A 1 2.333 3.708 -4.445 1.00 0.00 C ATOM 7 SD MET A 1 3.532 2.535 -3.785 1.00 0.00 S ATOM 8 CE MET A 1 4.239 3.490 -2.445 1.00 0.00 C ATOM 0 H1 MET A 1 1.123 4.299 -6.821 1.00 0.00 H new ATOM 0 H2 MET A 1 1.276 3.082 -7.996 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.257 3.486 -7.388 1.00 0.00 H new ATOM 0 HA MET A 1 1.834 1.845 -6.279 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.209 3.833 -4.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.768 2.334 -3.955 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.725 4.144 -5.364 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.201 4.525 -3.735 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.000 2.897 -1.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.692 4.397 -2.844 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.456 3.757 -1.736 1.00 0.00 H new ATOM 18 N VAL A 2 -0.682 1.020 -7.319 1.00 0.00 N ATOM 19 CA VAL A 2 -1.779 0.072 -7.476 1.00 0.00 C ATOM 20 C VAL A 2 -1.287 -1.246 -8.064 1.00 0.00 C ATOM 21 O VAL A 2 -0.155 -1.341 -8.538 1.00 0.00 O ATOM 22 CB VAL A 2 -2.888 0.642 -8.379 1.00 0.00 C ATOM 23 CG1 VAL A 2 -3.533 1.858 -7.731 1.00 0.00 C ATOM 24 CG2 VAL A 2 -2.331 0.991 -9.751 1.00 0.00 C ATOM 0 H VAL A 2 -0.291 1.361 -8.197 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.187 -0.107 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.656 -0.121 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.314 2.247 -8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.969 1.572 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.778 2.628 -7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.129 1.392 -10.376 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.543 1.737 -9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.922 0.094 -10.216 1.00 0.00 H new ATOM 34 N SER A 3 -2.145 -2.260 -8.030 1.00 0.00 N ATOM 35 CA SER A 3 -1.797 -3.574 -8.556 1.00 0.00 C ATOM 36 C SER A 3 -2.676 -3.931 -9.751 1.00 0.00 C ATOM 37 O SER A 3 -3.903 -3.931 -9.654 1.00 0.00 O ATOM 38 CB SER A 3 -1.941 -4.638 -7.466 1.00 0.00 C ATOM 39 OG SER A 3 -3.223 -4.582 -6.865 1.00 0.00 O ATOM 0 H SER A 3 -3.087 -2.197 -7.643 1.00 0.00 H new ATOM 0 HA SER A 3 -0.759 -3.542 -8.887 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.780 -5.627 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.173 -4.491 -6.706 1.00 0.00 H new ATOM 0 HG SER A 3 -3.872 -4.230 -7.510 1.00 0.00 H new ATOM 45 N ARG A 4 -2.038 -4.235 -10.877 1.00 0.00 N ATOM 46 CA ARG A 4 -2.761 -4.593 -12.091 1.00 0.00 C ATOM 47 C ARG A 4 -3.258 -6.034 -12.023 1.00 0.00 C ATOM 48 O ARG A 4 -4.449 -6.299 -12.190 1.00 0.00 O ATOM 49 CB ARG A 4 -1.864 -4.409 -13.317 1.00 0.00 C ATOM 50 CG ARG A 4 -2.576 -4.661 -14.636 1.00 0.00 C ATOM 51 CD ARG A 4 -1.796 -4.088 -15.808 1.00 0.00 C ATOM 52 NE ARG A 4 -1.982 -2.645 -15.935 1.00 0.00 N ATOM 53 CZ ARG A 4 -1.402 -1.909 -16.877 1.00 0.00 C ATOM 54 NH1 ARG A 4 -0.603 -2.478 -17.770 1.00 0.00 N ATOM 55 NH2 ARG A 4 -1.620 -0.601 -16.927 1.00 0.00 N ATOM 0 H ARG A 4 -1.023 -4.240 -10.973 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.624 -3.933 -12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -1.466 -3.394 -13.317 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.013 -5.085 -13.238 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.713 -5.733 -14.778 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.570 -4.214 -14.606 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.736 -4.307 -15.680 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.114 -4.577 -16.729 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.591 -2.177 -15.264 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.433 -3.483 -17.735 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.159 -1.910 -18.492 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.233 -0.160 -16.242 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.174 -0.037 -17.651 1.00 0.00 H new ATOM 69 N ASP A 5 -2.338 -6.961 -11.778 1.00 0.00 N ATOM 70 CA ASP A 5 -2.683 -8.375 -11.687 1.00 0.00 C ATOM 71 C ASP A 5 -2.082 -9.002 -10.433 1.00 0.00 C ATOM 72 O ASP A 5 -1.107 -8.493 -9.881 1.00 0.00 O ATOM 73 CB ASP A 5 -2.195 -9.122 -12.930 1.00 0.00 C ATOM 74 CG ASP A 5 -0.686 -9.267 -12.962 1.00 0.00 C ATOM 75 OD1 ASP A 5 0.009 -8.363 -12.451 1.00 0.00 O ATOM 76 OD2 ASP A 5 -0.200 -10.285 -13.497 1.00 0.00 O ATOM 0 H ASP A 5 -1.348 -6.759 -11.639 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.768 -8.455 -11.627 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.653 -10.111 -12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.525 -8.591 -13.823 1.00 0.00 H new ATOM 81 N GLN A 6 -2.671 -10.107 -9.989 1.00 0.00 N ATOM 82 CA GLN A 6 -2.193 -10.802 -8.799 1.00 0.00 C ATOM 83 C GLN A 6 -1.722 -12.211 -9.143 1.00 0.00 C ATOM 84 O GLN A 6 -2.387 -13.194 -8.819 1.00 0.00 O ATOM 85 CB GLN A 6 -3.297 -10.864 -7.742 1.00 0.00 C ATOM 86 CG GLN A 6 -4.626 -11.371 -8.280 1.00 0.00 C ATOM 87 CD GLN A 6 -5.450 -10.276 -8.926 1.00 0.00 C ATOM 88 OE1 GLN A 6 -5.699 -10.410 -10.224 1.00 0.00 O flip ATOM 89 NE2 GLN A 6 -5.859 -9.320 -8.267 1.00 0.00 N flip ATOM 0 H GLN A 6 -3.480 -10.541 -10.435 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.347 -10.244 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.973 -11.512 -6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.441 -9.869 -7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.441 -12.160 -9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.197 -11.817 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.644 -9.257 -7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.413 -8.591 -8.716 1.00 0.00 H new ATOM 98 N ALA A 7 -0.571 -12.300 -9.802 1.00 0.00 N ATOM 99 CA ALA A 7 -0.011 -13.589 -10.188 1.00 0.00 C ATOM 100 C ALA A 7 0.246 -14.465 -8.966 1.00 0.00 C ATOM 101 O ALA A 7 -0.122 -15.640 -8.944 1.00 0.00 O ATOM 102 CB ALA A 7 1.275 -13.390 -10.977 1.00 0.00 C ATOM 0 H ALA A 7 -0.009 -11.495 -10.079 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.738 -14.098 -10.821 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.683 -14.361 -11.259 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.065 -12.810 -11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.000 -12.857 -10.362 1.00 0.00 H new ATOM 108 N HIS A 8 0.880 -13.886 -7.952 1.00 0.00 N ATOM 109 CA HIS A 8 1.186 -14.614 -6.726 1.00 0.00 C ATOM 110 C HIS A 8 0.281 -14.161 -5.584 1.00 0.00 C ATOM 111 O HIS A 8 -0.232 -13.041 -5.592 1.00 0.00 O ATOM 112 CB HIS A 8 2.652 -14.413 -6.340 1.00 0.00 C ATOM 113 CG HIS A 8 3.084 -12.979 -6.358 1.00 0.00 C ATOM 114 ND1 HIS A 8 3.775 -12.414 -7.409 1.00 0.00 N ATOM 115 CD2 HIS A 8 2.919 -11.993 -5.445 1.00 0.00 C ATOM 116 CE1 HIS A 8 4.017 -11.143 -7.142 1.00 0.00 C ATOM 117 NE2 HIS A 8 3.508 -10.862 -5.956 1.00 0.00 N ATOM 0 H HIS A 8 1.192 -12.915 -7.955 1.00 0.00 H new ATOM 0 HA HIS A 8 1.008 -15.674 -6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.816 -14.821 -5.343 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.281 -14.982 -7.025 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.418 -12.080 -4.492 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.542 -10.451 -7.784 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.546 -9.953 -5.495 1.00 0.00 H new ATOM 125 N LEU A 9 0.088 -15.038 -4.605 1.00 0.00 N ATOM 126 CA LEU A 9 -0.757 -14.729 -3.457 1.00 0.00 C ATOM 127 C LEU A 9 0.017 -14.890 -2.153 1.00 0.00 C ATOM 128 O LEU A 9 -0.026 -15.943 -1.519 1.00 0.00 O ATOM 129 CB LEU A 9 -1.989 -15.635 -3.446 1.00 0.00 C ATOM 130 CG LEU A 9 -2.974 -15.442 -4.600 1.00 0.00 C ATOM 131 CD1 LEU A 9 -4.193 -16.332 -4.416 1.00 0.00 C ATOM 132 CD2 LEU A 9 -3.389 -13.982 -4.708 1.00 0.00 C ATOM 0 H LEU A 9 0.505 -15.969 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.078 -13.691 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.653 -16.672 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.523 -15.478 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.478 -15.728 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.883 -16.181 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.881 -17.376 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.691 -16.078 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.090 -13.863 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.867 -13.670 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.508 -13.366 -4.888 1.00 0.00 H new ATOM 144 N GLY A 10 0.724 -13.836 -1.756 1.00 0.00 N ATOM 145 CA GLY A 10 1.496 -13.880 -0.528 1.00 0.00 C ATOM 146 C GLY A 10 1.822 -12.497 0.002 1.00 0.00 C ATOM 147 O GLY A 10 2.979 -12.077 0.032 1.00 0.00 O ATOM 0 H GLY A 10 0.776 -12.953 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.939 -14.433 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.423 -14.426 -0.704 1.00 0.00 H new ATOM 151 N PRO A 11 0.784 -11.765 0.432 1.00 0.00 N ATOM 152 CA PRO A 11 0.940 -10.410 0.970 1.00 0.00 C ATOM 153 C PRO A 11 1.633 -10.402 2.328 1.00 0.00 C ATOM 154 O PRO A 11 2.147 -11.426 2.781 1.00 0.00 O ATOM 155 CB PRO A 11 -0.502 -9.913 1.103 1.00 0.00 C ATOM 156 CG PRO A 11 -1.318 -11.152 1.246 1.00 0.00 C ATOM 157 CD PRO A 11 -0.622 -12.203 0.426 1.00 0.00 C ATOM 0 HA PRO A 11 1.563 -9.786 0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.618 -9.261 1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.805 -9.338 0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.388 -11.455 2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.336 -10.992 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.736 -13.195 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.023 -12.254 -0.586 1.00 0.00 H new ATOM 165 N LYS A 12 1.645 -9.242 2.975 1.00 0.00 N ATOM 166 CA LYS A 12 2.274 -9.100 4.283 1.00 0.00 C ATOM 167 C LYS A 12 1.372 -9.650 5.383 1.00 0.00 C ATOM 168 O LYS A 12 0.186 -9.897 5.161 1.00 0.00 O ATOM 169 CB LYS A 12 2.596 -7.630 4.560 1.00 0.00 C ATOM 170 CG LYS A 12 3.920 -7.176 3.970 1.00 0.00 C ATOM 171 CD LYS A 12 3.733 -6.541 2.602 1.00 0.00 C ATOM 172 CE LYS A 12 3.985 -7.542 1.485 1.00 0.00 C ATOM 173 NZ LYS A 12 3.166 -7.242 0.278 1.00 0.00 N ATOM 0 H LYS A 12 1.226 -8.385 2.614 1.00 0.00 H new ATOM 0 HA LYS A 12 3.201 -9.674 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.796 -7.009 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.613 -7.467 5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.393 -6.460 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.594 -8.029 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.720 -6.147 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.413 -5.696 2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.042 -7.531 1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.756 -8.547 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.366 -7.946 -0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.157 -7.277 0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.403 -6.293 -0.075 1.00 0.00 H new ATOM 187 N TYR A 13 1.940 -9.838 6.568 1.00 0.00 N ATOM 188 CA TYR A 13 1.187 -10.360 7.703 1.00 0.00 C ATOM 189 C TYR A 13 1.092 -9.322 8.817 1.00 0.00 C ATOM 190 O TYR A 13 2.043 -8.584 9.078 1.00 0.00 O ATOM 191 CB TYR A 13 1.842 -11.636 8.234 1.00 0.00 C ATOM 192 CG TYR A 13 1.723 -12.814 7.294 1.00 0.00 C ATOM 193 CD1 TYR A 13 2.345 -12.802 6.051 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.988 -13.939 7.648 1.00 0.00 C ATOM 195 CE1 TYR A 13 2.238 -13.876 5.189 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.877 -15.018 6.792 1.00 0.00 C ATOM 197 CZ TYR A 13 1.504 -14.981 5.564 1.00 0.00 C ATOM 198 OH TYR A 13 1.395 -16.053 4.708 1.00 0.00 O ATOM 0 H TYR A 13 2.920 -9.637 6.769 1.00 0.00 H new ATOM 0 HA TYR A 13 0.179 -10.593 7.361 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.897 -11.440 8.426 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.387 -11.897 9.190 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.922 -11.938 5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.495 -13.970 8.608 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.727 -13.850 4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.303 -15.885 7.083 1.00 0.00 H new ATOM 0 HH TYR A 13 0.448 -16.256 4.557 1.00 0.00 H new ATOM 208 N VAL A 14 -0.063 -9.271 9.473 1.00 0.00 N ATOM 209 CA VAL A 14 -0.284 -8.326 10.560 1.00 0.00 C ATOM 210 C VAL A 14 -1.096 -8.961 11.684 1.00 0.00 C ATOM 211 O VAL A 14 -2.043 -9.705 11.436 1.00 0.00 O ATOM 212 CB VAL A 14 -1.013 -7.062 10.066 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.492 -7.347 9.854 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.818 -5.917 11.049 1.00 0.00 C ATOM 0 H VAL A 14 -0.860 -9.874 9.270 1.00 0.00 H new ATOM 0 HA VAL A 14 0.698 -8.045 10.939 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.584 -6.766 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.990 -6.443 9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.608 -8.135 9.110 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.939 -7.668 10.795 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.339 -5.032 10.685 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.220 -6.200 12.022 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.245 -5.698 11.146 1.00 0.00 H new ATOM 224 N GLY A 15 -0.717 -8.660 12.923 1.00 0.00 N ATOM 225 CA GLY A 15 -1.421 -9.209 14.067 1.00 0.00 C ATOM 226 C GLY A 15 -0.595 -9.152 15.337 1.00 0.00 C ATOM 227 O GLY A 15 0.191 -8.225 15.534 1.00 0.00 O ATOM 0 H GLY A 15 0.064 -8.046 13.154 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.350 -8.659 14.216 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.693 -10.244 13.860 1.00 0.00 H new ATOM 231 N LEU A 16 -0.774 -10.144 16.203 1.00 0.00 N ATOM 232 CA LEU A 16 -0.041 -10.202 17.462 1.00 0.00 C ATOM 233 C LEU A 16 -0.239 -8.922 18.267 1.00 0.00 C ATOM 234 O LEU A 16 0.532 -7.971 18.139 1.00 0.00 O ATOM 235 CB LEU A 16 1.449 -10.427 17.198 1.00 0.00 C ATOM 236 CG LEU A 16 1.897 -11.883 17.075 1.00 0.00 C ATOM 237 CD1 LEU A 16 2.589 -12.118 15.741 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.816 -12.258 18.229 1.00 0.00 C ATOM 0 H LEU A 16 -1.421 -10.919 16.056 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.431 -11.038 18.042 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.717 -9.907 16.279 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.015 -9.961 18.005 1.00 0.00 H new ATOM 0 HG LEU A 16 1.013 -12.520 17.119 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.901 -13.160 15.672 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.899 -11.891 14.928 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.464 -11.472 15.666 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.125 -13.298 18.125 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.696 -11.615 18.217 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.286 -12.130 19.173 1.00 0.00 H new ATOM 250 N TRP A 17 -1.275 -8.907 19.099 1.00 0.00 N ATOM 251 CA TRP A 17 -1.573 -7.743 19.927 1.00 0.00 C ATOM 252 C TRP A 17 -0.332 -7.281 20.682 1.00 0.00 C ATOM 253 O TRP A 17 0.690 -7.967 20.695 1.00 0.00 O ATOM 254 CB TRP A 17 -2.694 -8.069 20.914 1.00 0.00 C ATOM 255 CG TRP A 17 -4.056 -8.072 20.287 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.358 -8.361 18.987 1.00 0.00 C ATOM 257 CD2 TRP A 17 -5.297 -7.771 20.933 1.00 0.00 C ATOM 258 NE1 TRP A 17 -5.714 -8.257 18.786 1.00 0.00 N ATOM 259 CE2 TRP A 17 -6.312 -7.898 19.964 1.00 0.00 C ATOM 260 CE3 TRP A 17 -5.651 -7.410 22.236 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -7.654 -7.674 20.259 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -6.984 -7.187 22.526 1.00 0.00 C ATOM 263 CH2 TRP A 17 -7.972 -7.321 21.542 1.00 0.00 C ATOM 0 H TRP A 17 -1.922 -9.687 19.218 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.899 -6.935 19.272 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.504 -9.046 21.358 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.677 -7.341 21.725 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.638 -8.631 18.229 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.196 -8.421 17.902 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.897 -7.307 23.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.417 -7.775 19.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.269 -6.905 23.529 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.005 -7.142 21.801 1.00 0.00 H new ATOM 274 N ASP A 18 -0.427 -6.114 21.310 1.00 0.00 N ATOM 275 CA ASP A 18 0.688 -5.560 22.069 1.00 0.00 C ATOM 276 C ASP A 18 1.296 -6.615 22.988 1.00 0.00 C ATOM 277 O ASP A 18 0.742 -6.929 24.042 1.00 0.00 O ATOM 278 CB ASP A 18 0.226 -4.355 22.890 1.00 0.00 C ATOM 279 CG ASP A 18 0.565 -3.037 22.224 1.00 0.00 C ATOM 280 OD1 ASP A 18 -0.224 -2.583 21.369 1.00 0.00 O ATOM 281 OD2 ASP A 18 1.620 -2.458 22.558 1.00 0.00 O ATOM 0 H ASP A 18 -1.265 -5.533 21.308 1.00 0.00 H new ATOM 0 HA ASP A 18 1.452 -5.236 21.362 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.852 -4.415 23.043 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.690 -4.391 23.875 1.00 0.00 H new ATOM 286 N PHE A 19 2.438 -7.159 22.582 1.00 0.00 N ATOM 287 CA PHE A 19 3.121 -8.180 23.368 1.00 0.00 C ATOM 288 C PHE A 19 4.632 -8.093 23.179 1.00 0.00 C ATOM 289 O PHE A 19 5.128 -8.068 22.053 1.00 0.00 O ATOM 290 CB PHE A 19 2.626 -9.574 22.974 1.00 0.00 C ATOM 291 CG PHE A 19 2.803 -10.601 24.055 1.00 0.00 C ATOM 292 CD1 PHE A 19 1.927 -10.657 25.126 1.00 0.00 C ATOM 293 CD2 PHE A 19 3.846 -11.512 23.999 1.00 0.00 C ATOM 294 CE1 PHE A 19 2.087 -11.601 26.123 1.00 0.00 C ATOM 295 CE2 PHE A 19 4.011 -12.459 24.992 1.00 0.00 C ATOM 296 CZ PHE A 19 3.131 -12.503 26.056 1.00 0.00 C ATOM 0 H PHE A 19 2.910 -6.910 21.713 1.00 0.00 H new ATOM 0 HA PHE A 19 2.894 -8.005 24.420 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.570 -9.515 22.710 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.160 -9.902 22.082 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.109 -9.954 25.183 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.538 -11.482 23.170 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.397 -11.633 26.953 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.827 -13.164 24.936 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.259 -13.241 26.834 1.00 0.00 H new ATOM 306 N LYS A 20 5.359 -8.045 24.290 1.00 0.00 N ATOM 307 CA LYS A 20 6.814 -7.960 24.250 1.00 0.00 C ATOM 308 C LYS A 20 7.449 -9.125 25.003 1.00 0.00 C ATOM 309 O LYS A 20 7.523 -9.114 26.232 1.00 0.00 O ATOM 310 CB LYS A 20 7.286 -6.633 24.850 1.00 0.00 C ATOM 311 CG LYS A 20 6.624 -5.416 24.228 1.00 0.00 C ATOM 312 CD LYS A 20 7.003 -5.261 22.765 1.00 0.00 C ATOM 313 CE LYS A 20 6.637 -3.882 22.237 1.00 0.00 C ATOM 314 NZ LYS A 20 7.471 -2.813 22.854 1.00 0.00 N ATOM 0 H LYS A 20 4.964 -8.064 25.230 1.00 0.00 H new ATOM 0 HA LYS A 20 7.126 -8.011 23.207 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.087 -6.637 25.922 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.366 -6.552 24.727 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.541 -5.505 24.317 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.917 -4.521 24.777 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.074 -5.425 22.646 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.497 -6.024 22.174 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.763 -3.862 21.155 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.584 -3.683 22.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.432 -1.958 22.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.108 -2.595 23.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.456 -3.139 22.926 1.00 0.00 H new ATOM 328 N SER A 21 7.905 -10.127 24.259 1.00 0.00 N ATOM 329 CA SER A 21 8.531 -11.300 24.858 1.00 0.00 C ATOM 330 C SER A 21 10.051 -11.167 24.854 1.00 0.00 C ATOM 331 O SER A 21 10.622 -10.477 24.009 1.00 0.00 O ATOM 332 CB SER A 21 8.117 -12.565 24.105 1.00 0.00 C ATOM 333 OG SER A 21 6.755 -12.505 23.716 1.00 0.00 O ATOM 0 H SER A 21 7.853 -10.150 23.241 1.00 0.00 H new ATOM 0 HA SER A 21 8.193 -11.373 25.892 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.745 -12.689 23.223 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.280 -13.438 24.737 1.00 0.00 H new ATOM 0 HG SER A 21 6.221 -12.138 24.451 1.00 0.00 H new ATOM 339 N ARG A 22 10.699 -11.832 25.804 1.00 0.00 N ATOM 340 CA ARG A 22 12.153 -11.787 25.912 1.00 0.00 C ATOM 341 C ARG A 22 12.774 -13.094 25.426 1.00 0.00 C ATOM 342 O ARG A 22 13.740 -13.589 26.008 1.00 0.00 O ATOM 343 CB ARG A 22 12.570 -11.519 27.359 1.00 0.00 C ATOM 344 CG ARG A 22 11.787 -10.397 28.021 1.00 0.00 C ATOM 345 CD ARG A 22 11.880 -9.106 27.222 1.00 0.00 C ATOM 346 NE ARG A 22 11.316 -7.971 27.948 1.00 0.00 N ATOM 347 CZ ARG A 22 11.554 -6.704 27.629 1.00 0.00 C ATOM 348 NH1 ARG A 22 12.339 -6.411 26.601 1.00 0.00 N ATOM 349 NH2 ARG A 22 11.004 -5.726 28.338 1.00 0.00 N ATOM 0 H ARG A 22 10.241 -12.408 26.510 1.00 0.00 H new ATOM 0 HA ARG A 22 12.515 -10.975 25.281 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.442 -12.432 27.940 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.632 -11.273 27.383 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.742 -10.690 28.120 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.168 -10.231 29.029 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.924 -8.901 26.984 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.355 -9.227 26.275 1.00 0.00 H new ATOM 0 HE ARG A 22 10.706 -8.162 28.743 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.762 -7.160 26.053 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.520 -5.437 26.359 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.398 -5.947 29.128 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.187 -4.753 28.093 1.00 0.00 H new ATOM 363 N THR A 23 12.213 -13.648 24.355 1.00 0.00 N ATOM 364 CA THR A 23 12.710 -14.896 23.792 1.00 0.00 C ATOM 365 C THR A 23 12.544 -14.920 22.277 1.00 0.00 C ATOM 366 O THR A 23 11.637 -14.291 21.732 1.00 0.00 O ATOM 367 CB THR A 23 11.985 -16.113 24.396 1.00 0.00 C ATOM 368 OG1 THR A 23 10.611 -15.793 24.641 1.00 0.00 O ATOM 369 CG2 THR A 23 12.648 -16.550 25.693 1.00 0.00 C ATOM 0 H THR A 23 11.414 -13.251 23.861 1.00 0.00 H new ATOM 0 HA THR A 23 13.770 -14.954 24.040 1.00 0.00 H new ATOM 0 HB THR A 23 12.045 -16.934 23.682 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.157 -16.573 25.023 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.118 -17.411 26.100 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.685 -16.822 25.498 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.616 -15.731 26.412 1.00 0.00 H new ATOM 377 N ASP A 24 13.424 -15.651 21.601 1.00 0.00 N ATOM 378 CA ASP A 24 13.374 -15.759 20.148 1.00 0.00 C ATOM 379 C ASP A 24 12.127 -16.516 19.702 1.00 0.00 C ATOM 380 O ASP A 24 11.710 -16.419 18.548 1.00 0.00 O ATOM 381 CB ASP A 24 14.627 -16.462 19.623 1.00 0.00 C ATOM 382 CG ASP A 24 15.877 -16.058 20.380 1.00 0.00 C ATOM 383 OD1 ASP A 24 16.158 -16.671 21.431 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.574 -15.128 19.922 1.00 0.00 O ATOM 0 H ASP A 24 14.181 -16.178 22.037 1.00 0.00 H new ATOM 0 HA ASP A 24 13.333 -14.751 19.735 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.493 -17.541 19.698 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.755 -16.229 18.566 1.00 0.00 H new ATOM 389 N GLU A 25 11.537 -17.270 20.625 1.00 0.00 N ATOM 390 CA GLU A 25 10.338 -18.044 20.325 1.00 0.00 C ATOM 391 C GLU A 25 9.123 -17.133 20.182 1.00 0.00 C ATOM 392 O GLU A 25 8.047 -17.574 19.779 1.00 0.00 O ATOM 393 CB GLU A 25 10.086 -19.081 21.422 1.00 0.00 C ATOM 394 CG GLU A 25 11.316 -19.898 21.781 1.00 0.00 C ATOM 395 CD GLU A 25 10.969 -21.188 22.498 1.00 0.00 C ATOM 396 OE1 GLU A 25 9.824 -21.311 22.980 1.00 0.00 O ATOM 397 OE2 GLU A 25 11.845 -22.076 22.578 1.00 0.00 O ATOM 0 H GLU A 25 11.869 -17.361 21.585 1.00 0.00 H new ATOM 0 HA GLU A 25 10.497 -18.559 19.378 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.725 -18.572 22.316 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.294 -19.756 21.097 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.872 -20.130 20.872 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.973 -19.301 22.413 1.00 0.00 H new ATOM 404 N GLU A 26 9.303 -15.859 20.518 1.00 0.00 N ATOM 405 CA GLU A 26 8.221 -14.886 20.428 1.00 0.00 C ATOM 406 C GLU A 26 8.737 -13.542 19.921 1.00 0.00 C ATOM 407 O GLU A 26 9.926 -13.238 20.035 1.00 0.00 O ATOM 408 CB GLU A 26 7.553 -14.705 21.793 1.00 0.00 C ATOM 409 CG GLU A 26 6.530 -15.781 22.118 1.00 0.00 C ATOM 410 CD GLU A 26 5.383 -15.259 22.962 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.687 -14.329 22.506 1.00 0.00 O ATOM 412 OE2 GLU A 26 5.183 -15.781 24.078 1.00 0.00 O ATOM 0 H GLU A 26 10.187 -15.477 20.855 1.00 0.00 H new ATOM 0 HA GLU A 26 7.486 -15.265 19.718 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.321 -14.701 22.566 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.065 -13.731 21.823 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.135 -16.194 21.190 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.022 -16.598 22.646 1.00 0.00 H new ATOM 419 N LEU A 27 7.837 -12.742 19.361 1.00 0.00 N ATOM 420 CA LEU A 27 8.201 -11.431 18.835 1.00 0.00 C ATOM 421 C LEU A 27 7.861 -10.330 19.835 1.00 0.00 C ATOM 422 O LEU A 27 7.007 -10.508 20.703 1.00 0.00 O ATOM 423 CB LEU A 27 7.480 -11.173 17.511 1.00 0.00 C ATOM 424 CG LEU A 27 7.954 -12.000 16.316 1.00 0.00 C ATOM 425 CD1 LEU A 27 9.465 -11.904 16.166 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.523 -13.452 16.467 1.00 0.00 C ATOM 0 H LEU A 27 6.850 -12.978 19.259 1.00 0.00 H new ATOM 0 HA LEU A 27 9.277 -11.421 18.663 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.416 -11.360 17.657 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.587 -10.117 17.262 1.00 0.00 H new ATOM 0 HG LEU A 27 7.493 -11.597 15.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.784 -12.499 15.310 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.750 -10.863 16.011 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.945 -12.281 17.069 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.869 -14.026 15.607 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.955 -13.867 17.378 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.436 -13.505 16.524 1.00 0.00 H new ATOM 438 N SER A 28 8.535 -9.192 19.705 1.00 0.00 N ATOM 439 CA SER A 28 8.306 -8.062 20.598 1.00 0.00 C ATOM 440 C SER A 28 7.881 -6.825 19.812 1.00 0.00 C ATOM 441 O SER A 28 8.709 -5.984 19.461 1.00 0.00 O ATOM 442 CB SER A 28 9.570 -7.758 21.405 1.00 0.00 C ATOM 443 OG SER A 28 10.728 -7.863 20.596 1.00 0.00 O ATOM 0 H SER A 28 9.244 -9.028 18.990 1.00 0.00 H new ATOM 0 HA SER A 28 7.502 -8.330 21.283 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.505 -6.754 21.824 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.645 -8.450 22.244 1.00 0.00 H new ATOM 0 HG SER A 28 10.624 -7.299 19.801 1.00 0.00 H new ATOM 449 N PHE A 29 6.585 -6.722 19.539 1.00 0.00 N ATOM 450 CA PHE A 29 6.049 -5.589 18.793 1.00 0.00 C ATOM 451 C PHE A 29 4.547 -5.448 19.025 1.00 0.00 C ATOM 452 O PHE A 29 3.893 -6.372 19.507 1.00 0.00 O ATOM 453 CB PHE A 29 6.332 -5.755 17.299 1.00 0.00 C ATOM 454 CG PHE A 29 5.634 -6.934 16.683 1.00 0.00 C ATOM 455 CD1 PHE A 29 4.272 -6.898 16.436 1.00 0.00 C ATOM 456 CD2 PHE A 29 6.341 -8.079 16.352 1.00 0.00 C ATOM 457 CE1 PHE A 29 3.627 -7.982 15.871 1.00 0.00 C ATOM 458 CE2 PHE A 29 5.702 -9.166 15.785 1.00 0.00 C ATOM 459 CZ PHE A 29 4.343 -9.117 15.544 1.00 0.00 C ATOM 0 H PHE A 29 5.886 -7.409 19.823 1.00 0.00 H new ATOM 0 HA PHE A 29 6.541 -4.685 19.150 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.026 -4.848 16.777 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.407 -5.861 17.151 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.707 -6.013 16.688 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.404 -8.123 16.539 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.564 -7.942 15.685 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.265 -10.052 15.531 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.841 -9.964 15.101 1.00 0.00 H new ATOM 469 N ARG A 30 4.008 -4.284 18.677 1.00 0.00 N ATOM 470 CA ARG A 30 2.585 -4.019 18.848 1.00 0.00 C ATOM 471 C ARG A 30 1.814 -4.345 17.572 1.00 0.00 C ATOM 472 O ARG A 30 2.341 -4.220 16.468 1.00 0.00 O ATOM 473 CB ARG A 30 2.359 -2.556 19.234 1.00 0.00 C ATOM 474 CG ARG A 30 2.543 -1.586 18.078 1.00 0.00 C ATOM 475 CD ARG A 30 2.337 -0.146 18.520 1.00 0.00 C ATOM 476 NE ARG A 30 0.921 0.205 18.598 1.00 0.00 N ATOM 477 CZ ARG A 30 0.465 1.286 19.221 1.00 0.00 C ATOM 478 NH1 ARG A 30 1.309 2.117 19.817 1.00 0.00 N ATOM 479 NH2 ARG A 30 -0.837 1.538 19.249 1.00 0.00 N ATOM 0 H ARG A 30 4.536 -3.509 18.275 1.00 0.00 H new ATOM 0 HA ARG A 30 2.216 -4.660 19.649 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.351 -2.446 19.633 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.049 -2.289 20.034 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.544 -1.700 17.662 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.838 -1.828 17.283 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.802 0.004 19.494 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.838 0.523 17.821 1.00 0.00 H new ATOM 0 HE ARG A 30 0.246 -0.414 18.150 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.311 1.927 19.798 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.956 2.946 20.295 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.490 0.901 18.792 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.186 2.368 19.728 1.00 0.00 H new ATOM 493 N ALA A 31 0.563 -4.765 17.734 1.00 0.00 N ATOM 494 CA ALA A 31 -0.280 -5.108 16.595 1.00 0.00 C ATOM 495 C ALA A 31 -0.237 -4.016 15.532 1.00 0.00 C ATOM 496 O ALA A 31 0.171 -2.887 15.803 1.00 0.00 O ATOM 497 CB ALA A 31 -1.712 -5.346 17.052 1.00 0.00 C ATOM 0 H ALA A 31 0.112 -4.876 18.642 1.00 0.00 H new ATOM 0 HA ALA A 31 0.106 -6.026 16.151 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.331 -5.601 16.192 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.733 -6.166 17.770 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.099 -4.442 17.522 1.00 0.00 H new ATOM 503 N GLY A 32 -0.661 -4.360 14.319 1.00 0.00 N ATOM 504 CA GLY A 32 -0.662 -3.397 13.233 1.00 0.00 C ATOM 505 C GLY A 32 0.613 -3.447 12.414 1.00 0.00 C ATOM 506 O GLY A 32 0.637 -3.010 11.263 1.00 0.00 O ATOM 0 H GLY A 32 -1.004 -5.288 14.069 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.516 -3.588 12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.790 -2.394 13.641 1.00 0.00 H new ATOM 510 N ASP A 33 1.676 -3.977 13.009 1.00 0.00 N ATOM 511 CA ASP A 33 2.961 -4.082 12.327 1.00 0.00 C ATOM 512 C ASP A 33 2.900 -5.116 11.207 1.00 0.00 C ATOM 513 O ASP A 33 2.179 -6.109 11.304 1.00 0.00 O ATOM 514 CB ASP A 33 4.062 -4.453 13.322 1.00 0.00 C ATOM 515 CG ASP A 33 4.771 -3.236 13.882 1.00 0.00 C ATOM 516 OD1 ASP A 33 4.107 -2.419 14.554 1.00 0.00 O ATOM 517 OD2 ASP A 33 5.990 -3.101 13.650 1.00 0.00 O ATOM 0 H ASP A 33 1.673 -4.341 13.962 1.00 0.00 H new ATOM 0 HA ASP A 33 3.191 -3.111 11.888 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.629 -5.026 14.142 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.789 -5.099 12.830 1.00 0.00 H new ATOM 522 N VAL A 34 3.661 -4.875 10.144 1.00 0.00 N ATOM 523 CA VAL A 34 3.693 -5.785 9.006 1.00 0.00 C ATOM 524 C VAL A 34 4.950 -6.649 9.028 1.00 0.00 C ATOM 525 O VAL A 34 6.040 -6.169 9.339 1.00 0.00 O ATOM 526 CB VAL A 34 3.635 -5.018 7.671 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.383 -4.156 7.605 1.00 0.00 C ATOM 528 CG2 VAL A 34 4.885 -4.171 7.490 1.00 0.00 C ATOM 0 H VAL A 34 4.263 -4.057 10.048 1.00 0.00 H new ATOM 0 HA VAL A 34 2.814 -6.424 9.088 1.00 0.00 H new ATOM 0 HB VAL A 34 3.593 -5.742 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.359 -3.622 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.500 -4.790 7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.392 -3.438 8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.828 -3.636 6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.960 -3.454 8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.764 -4.815 7.490 1.00 0.00 H new ATOM 538 N PHE A 35 4.790 -7.925 8.696 1.00 0.00 N ATOM 539 CA PHE A 35 5.911 -8.857 8.679 1.00 0.00 C ATOM 540 C PHE A 35 5.717 -9.921 7.602 1.00 0.00 C ATOM 541 O PHE A 35 4.618 -10.094 7.075 1.00 0.00 O ATOM 542 CB PHE A 35 6.070 -9.523 10.047 1.00 0.00 C ATOM 543 CG PHE A 35 4.825 -9.475 10.885 1.00 0.00 C ATOM 544 CD1 PHE A 35 3.869 -10.473 10.786 1.00 0.00 C ATOM 545 CD2 PHE A 35 4.610 -8.433 11.772 1.00 0.00 C ATOM 546 CE1 PHE A 35 2.722 -10.431 11.556 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.465 -8.386 12.545 1.00 0.00 C ATOM 548 CZ PHE A 35 2.520 -9.387 12.437 1.00 0.00 C ATOM 0 H PHE A 35 3.895 -8.338 8.435 1.00 0.00 H new ATOM 0 HA PHE A 35 6.816 -8.294 8.450 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.362 -10.563 9.904 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.881 -9.035 10.588 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.022 -11.293 10.100 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.346 -7.648 11.861 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.984 -11.215 11.469 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.310 -7.568 13.232 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.625 -9.353 13.040 1.00 0.00 H new ATOM 558 N HIS A 36 6.794 -10.632 7.280 1.00 0.00 N ATOM 559 CA HIS A 36 6.743 -11.680 6.267 1.00 0.00 C ATOM 560 C HIS A 36 7.031 -13.045 6.883 1.00 0.00 C ATOM 561 O HIS A 36 7.658 -13.143 7.938 1.00 0.00 O ATOM 562 CB HIS A 36 7.748 -11.388 5.151 1.00 0.00 C ATOM 563 CG HIS A 36 7.178 -10.575 4.030 1.00 0.00 C ATOM 564 ND1 HIS A 36 6.084 -10.973 3.292 1.00 0.00 N ATOM 565 CD2 HIS A 36 7.557 -9.378 3.524 1.00 0.00 C ATOM 566 CE1 HIS A 36 5.815 -10.057 2.378 1.00 0.00 C ATOM 567 NE2 HIS A 36 6.694 -9.078 2.498 1.00 0.00 N ATOM 0 H HIS A 36 7.712 -10.501 7.706 1.00 0.00 H new ATOM 0 HA HIS A 36 5.738 -11.696 5.846 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.604 -10.861 5.573 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.120 -12.332 4.752 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.563 -11.839 3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.384 -8.772 3.864 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.013 -10.101 1.656 1.00 0.00 H new ATOM 575 N VAL A 37 6.569 -14.099 6.217 1.00 0.00 N ATOM 576 CA VAL A 37 6.777 -15.459 6.698 1.00 0.00 C ATOM 577 C VAL A 37 8.077 -16.042 6.155 1.00 0.00 C ATOM 578 O VAL A 37 8.273 -16.125 4.943 1.00 0.00 O ATOM 579 CB VAL A 37 5.608 -16.380 6.300 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.340 -15.984 7.040 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.391 -16.344 4.795 1.00 0.00 C ATOM 0 H VAL A 37 6.048 -14.036 5.342 1.00 0.00 H new ATOM 0 HA VAL A 37 6.833 -15.405 7.785 1.00 0.00 H new ATOM 0 HB VAL A 37 5.860 -17.402 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.525 -16.646 6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.505 -16.067 8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.080 -14.955 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.562 -17.000 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.160 -15.325 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.296 -16.681 4.289 1.00 0.00 H new ATOM 591 N ALA A 38 8.962 -16.444 7.061 1.00 0.00 N ATOM 592 CA ALA A 38 10.243 -17.022 6.673 1.00 0.00 C ATOM 593 C ALA A 38 10.099 -18.503 6.341 1.00 0.00 C ATOM 594 O ALA A 38 10.635 -18.979 5.340 1.00 0.00 O ATOM 595 CB ALA A 38 11.268 -16.825 7.780 1.00 0.00 C ATOM 0 H ALA A 38 8.816 -16.380 8.068 1.00 0.00 H new ATOM 0 HA ALA A 38 10.589 -16.507 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.220 -17.261 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.401 -15.759 7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.919 -17.313 8.690 1.00 0.00 H new ATOM 601 N ARG A 39 9.373 -19.227 7.187 1.00 0.00 N ATOM 602 CA ARG A 39 9.161 -20.655 6.983 1.00 0.00 C ATOM 603 C ARG A 39 7.795 -21.082 7.512 1.00 0.00 C ATOM 604 O ARG A 39 7.388 -20.686 8.604 1.00 0.00 O ATOM 605 CB ARG A 39 10.262 -21.460 7.675 1.00 0.00 C ATOM 606 CG ARG A 39 11.552 -21.540 6.875 1.00 0.00 C ATOM 607 CD ARG A 39 11.397 -22.439 5.658 1.00 0.00 C ATOM 608 NE ARG A 39 11.576 -23.849 5.992 1.00 0.00 N ATOM 609 CZ ARG A 39 11.461 -24.834 5.109 1.00 0.00 C ATOM 610 NH1 ARG A 39 11.169 -24.564 3.844 1.00 0.00 N ATOM 611 NH2 ARG A 39 11.639 -26.093 5.489 1.00 0.00 N ATOM 0 H ARG A 39 8.922 -18.848 8.020 1.00 0.00 H new ATOM 0 HA ARG A 39 9.195 -20.853 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.473 -21.011 8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.898 -22.470 7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.846 -20.540 6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.352 -21.920 7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.408 -22.292 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.125 -22.151 4.900 1.00 0.00 H new ATOM 0 HE ARG A 39 11.802 -24.091 6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.032 -23.598 3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.081 -25.323 3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.865 -26.305 6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.550 -26.848 4.809 1.00 0.00 H new ATOM 625 N LYS A 40 7.091 -21.893 6.730 1.00 0.00 N ATOM 626 CA LYS A 40 5.771 -22.376 7.118 1.00 0.00 C ATOM 627 C LYS A 40 5.813 -23.862 7.458 1.00 0.00 C ATOM 628 O LYS A 40 5.967 -24.705 6.575 1.00 0.00 O ATOM 629 CB LYS A 40 4.763 -22.127 5.993 1.00 0.00 C ATOM 630 CG LYS A 40 5.278 -22.516 4.618 1.00 0.00 C ATOM 631 CD LYS A 40 5.971 -21.351 3.933 1.00 0.00 C ATOM 632 CE LYS A 40 7.076 -21.829 3.003 1.00 0.00 C ATOM 633 NZ LYS A 40 6.558 -22.147 1.643 1.00 0.00 N ATOM 0 H LYS A 40 7.413 -22.230 5.823 1.00 0.00 H new ATOM 0 HA LYS A 40 5.458 -21.827 8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.852 -22.687 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.493 -21.071 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.973 -23.350 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.448 -22.860 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.241 -20.774 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.390 -20.683 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.845 -21.060 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.550 -22.714 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.341 -22.469 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.842 -22.898 1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.128 -21.296 1.227 1.00 0.00 H new ATOM 647 N GLU A 41 5.674 -24.175 8.742 1.00 0.00 N ATOM 648 CA GLU A 41 5.697 -25.561 9.197 1.00 0.00 C ATOM 649 C GLU A 41 4.313 -26.001 9.666 1.00 0.00 C ATOM 650 O GLU A 41 3.432 -25.174 9.896 1.00 0.00 O ATOM 651 CB GLU A 41 6.710 -25.733 10.330 1.00 0.00 C ATOM 652 CG GLU A 41 7.334 -27.117 10.383 1.00 0.00 C ATOM 653 CD GLU A 41 7.989 -27.513 9.074 1.00 0.00 C ATOM 654 OE1 GLU A 41 8.963 -26.842 8.672 1.00 0.00 O ATOM 655 OE2 GLU A 41 7.529 -28.493 8.452 1.00 0.00 O ATOM 0 H GLU A 41 5.544 -23.489 9.485 1.00 0.00 H new ATOM 0 HA GLU A 41 5.994 -26.188 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.500 -24.991 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.217 -25.529 11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.077 -27.146 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.566 -27.848 10.636 1.00 0.00 H new ATOM 662 N GLU A 42 4.131 -27.311 9.804 1.00 0.00 N ATOM 663 CA GLU A 42 2.855 -27.862 10.245 1.00 0.00 C ATOM 664 C GLU A 42 2.630 -27.593 11.730 1.00 0.00 C ATOM 665 O GLU A 42 1.492 -27.542 12.196 1.00 0.00 O ATOM 666 CB GLU A 42 2.803 -29.367 9.973 1.00 0.00 C ATOM 667 CG GLU A 42 3.775 -30.172 10.819 1.00 0.00 C ATOM 668 CD GLU A 42 3.534 -31.666 10.722 1.00 0.00 C ATOM 669 OE1 GLU A 42 2.532 -32.066 10.095 1.00 0.00 O ATOM 670 OE2 GLU A 42 4.350 -32.434 11.273 1.00 0.00 O ATOM 0 H GLU A 42 4.850 -28.009 9.617 1.00 0.00 H new ATOM 0 HA GLU A 42 2.062 -27.371 9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.790 -29.726 10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.018 -29.545 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.795 -29.951 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.689 -29.861 11.860 1.00 0.00 H new ATOM 677 N GLN A 43 3.723 -27.424 12.467 1.00 0.00 N ATOM 678 CA GLN A 43 3.645 -27.163 13.899 1.00 0.00 C ATOM 679 C GLN A 43 3.545 -25.666 14.174 1.00 0.00 C ATOM 680 O GLN A 43 2.529 -25.184 14.675 1.00 0.00 O ATOM 681 CB GLN A 43 4.868 -27.744 14.612 1.00 0.00 C ATOM 682 CG GLN A 43 5.147 -29.195 14.255 1.00 0.00 C ATOM 683 CD GLN A 43 5.965 -29.909 15.314 1.00 0.00 C ATOM 684 OE1 GLN A 43 5.685 -29.801 16.508 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.981 -30.645 14.880 1.00 0.00 N ATOM 0 H GLN A 43 4.672 -27.463 12.096 1.00 0.00 H new ATOM 0 HA GLN A 43 2.746 -27.646 14.283 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.743 -27.143 14.364 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.722 -27.665 15.689 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.202 -29.720 14.116 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.677 -29.236 13.303 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.176 -30.706 13.881 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.566 -31.150 15.546 1.00 0.00 H new ATOM 694 N TRP A 44 4.605 -24.937 13.844 1.00 0.00 N ATOM 695 CA TRP A 44 4.636 -23.494 14.057 1.00 0.00 C ATOM 696 C TRP A 44 5.175 -22.774 12.826 1.00 0.00 C ATOM 697 O TRP A 44 5.906 -23.357 12.025 1.00 0.00 O ATOM 698 CB TRP A 44 5.495 -23.156 15.277 1.00 0.00 C ATOM 699 CG TRP A 44 5.203 -24.021 16.466 1.00 0.00 C ATOM 700 CD1 TRP A 44 5.928 -25.095 16.896 1.00 0.00 C ATOM 701 CD2 TRP A 44 4.107 -23.884 17.377 1.00 0.00 C ATOM 702 NE1 TRP A 44 5.348 -25.635 18.019 1.00 0.00 N ATOM 703 CE2 TRP A 44 4.230 -24.909 18.335 1.00 0.00 C ATOM 704 CE3 TRP A 44 3.034 -22.994 17.478 1.00 0.00 C ATOM 705 CZ2 TRP A 44 3.321 -25.068 19.377 1.00 0.00 C ATOM 706 CZ3 TRP A 44 2.132 -23.152 18.513 1.00 0.00 C ATOM 707 CH2 TRP A 44 2.280 -24.182 19.452 1.00 0.00 C ATOM 0 H TRP A 44 5.454 -25.321 13.428 1.00 0.00 H new ATOM 0 HA TRP A 44 3.615 -23.156 14.235 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.547 -23.259 15.011 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.335 -22.112 15.548 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.825 -25.466 16.423 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.694 -26.445 18.534 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.912 -22.197 16.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.433 -25.862 20.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.299 -22.470 18.600 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.559 -24.279 20.250 1.00 0.00 H new ATOM 718 N TRP A 45 4.809 -21.506 12.681 1.00 0.00 N ATOM 719 CA TRP A 45 5.257 -20.706 11.546 1.00 0.00 C ATOM 720 C TRP A 45 6.304 -19.686 11.978 1.00 0.00 C ATOM 721 O TRP A 45 6.301 -19.225 13.119 1.00 0.00 O ATOM 722 CB TRP A 45 4.069 -19.993 10.898 1.00 0.00 C ATOM 723 CG TRP A 45 3.255 -20.883 10.008 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.118 -22.238 10.109 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.467 -20.481 8.883 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.293 -22.703 9.113 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.880 -21.644 8.348 1.00 0.00 C ATOM 728 CE3 TRP A 45 2.199 -19.251 8.275 1.00 0.00 C ATOM 729 CZ2 TRP A 45 1.043 -21.611 7.236 1.00 0.00 C ATOM 730 CZ3 TRP A 45 1.369 -19.220 7.171 1.00 0.00 C ATOM 731 CH2 TRP A 45 0.798 -20.394 6.661 1.00 0.00 C ATOM 0 H TRP A 45 4.204 -21.009 13.334 1.00 0.00 H new ATOM 0 HA TRP A 45 5.711 -21.377 10.817 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.427 -19.588 11.680 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.435 -19.147 10.317 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.589 -22.854 10.861 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.031 -23.678 8.967 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.633 -18.341 8.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.602 -22.515 6.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.157 -18.275 6.693 1.00 0.00 H new ATOM 0 HH2 TRP A 45 0.152 -20.337 5.797 1.00 0.00 H new ATOM 742 N TRP A 46 7.199 -19.338 11.060 1.00 0.00 N ATOM 743 CA TRP A 46 8.252 -18.371 11.348 1.00 0.00 C ATOM 744 C TRP A 46 7.873 -16.985 10.839 1.00 0.00 C ATOM 745 O TRP A 46 7.446 -16.829 9.695 1.00 0.00 O ATOM 746 CB TRP A 46 9.570 -18.818 10.713 1.00 0.00 C ATOM 747 CG TRP A 46 10.383 -19.712 11.599 1.00 0.00 C ATOM 748 CD1 TRP A 46 10.181 -21.043 11.827 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.527 -19.339 12.376 1.00 0.00 C ATOM 750 NE1 TRP A 46 11.130 -21.520 12.699 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.967 -20.495 13.050 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.222 -18.142 12.566 1.00 0.00 C ATOM 753 CZ2 TRP A 46 13.070 -20.485 13.899 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.316 -18.134 13.410 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.732 -19.299 14.067 1.00 0.00 C ATOM 0 H TRP A 46 7.216 -19.711 10.111 1.00 0.00 H new ATOM 0 HA TRP A 46 8.377 -18.318 12.430 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.357 -19.340 9.780 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.159 -17.937 10.458 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.391 -21.634 11.387 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.200 -22.482 13.031 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.910 -17.239 12.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.392 -21.382 14.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 13.860 -17.214 13.566 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.592 -19.261 14.719 1.00 0.00 H new ATOM 766 N ALA A 47 8.030 -15.981 11.696 1.00 0.00 N ATOM 767 CA ALA A 47 7.706 -14.608 11.331 1.00 0.00 C ATOM 768 C ALA A 47 8.847 -13.661 11.688 1.00 0.00 C ATOM 769 O ALA A 47 9.522 -13.839 12.703 1.00 0.00 O ATOM 770 CB ALA A 47 6.420 -14.169 12.017 1.00 0.00 C ATOM 0 H ALA A 47 8.380 -16.093 12.648 1.00 0.00 H new ATOM 0 HA ALA A 47 7.561 -14.570 10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.190 -13.141 11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.603 -14.821 11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.545 -14.230 13.098 1.00 0.00 H new ATOM 776 N THR A 48 9.058 -12.653 10.848 1.00 0.00 N ATOM 777 CA THR A 48 10.119 -11.679 11.073 1.00 0.00 C ATOM 778 C THR A 48 9.602 -10.255 10.909 1.00 0.00 C ATOM 779 O THR A 48 8.952 -9.930 9.914 1.00 0.00 O ATOM 780 CB THR A 48 11.299 -11.899 10.108 1.00 0.00 C ATOM 781 OG1 THR A 48 11.851 -13.206 10.300 1.00 0.00 O ATOM 782 CG2 THR A 48 12.378 -10.850 10.324 1.00 0.00 C ATOM 0 H THR A 48 8.508 -12.490 10.005 1.00 0.00 H new ATOM 0 HA THR A 48 10.466 -11.821 12.097 1.00 0.00 H new ATOM 0 HB THR A 48 10.927 -11.809 9.087 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.600 -13.339 9.682 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.201 -11.026 9.631 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.962 -9.858 10.148 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.746 -10.912 11.348 1.00 0.00 H new ATOM 790 N LEU A 49 9.893 -9.408 11.890 1.00 0.00 N ATOM 791 CA LEU A 49 9.457 -8.016 11.854 1.00 0.00 C ATOM 792 C LEU A 49 10.559 -7.115 11.305 1.00 0.00 C ATOM 793 O LEU A 49 11.694 -7.143 11.782 1.00 0.00 O ATOM 794 CB LEU A 49 9.052 -7.551 13.253 1.00 0.00 C ATOM 795 CG LEU A 49 8.988 -6.038 13.466 1.00 0.00 C ATOM 796 CD1 LEU A 49 7.915 -5.420 12.583 1.00 0.00 C ATOM 797 CD2 LEU A 49 8.728 -5.716 14.930 1.00 0.00 C ATOM 0 H LEU A 49 10.429 -9.660 12.720 1.00 0.00 H new ATOM 0 HA LEU A 49 8.594 -7.948 11.192 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.074 -7.972 13.485 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.757 -7.969 13.971 1.00 0.00 H new ATOM 0 HG LEU A 49 9.951 -5.610 13.186 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.884 -4.343 12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.145 -5.620 11.537 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.946 -5.853 12.831 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.686 -4.635 15.063 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.779 -6.157 15.237 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.532 -6.125 15.541 1.00 0.00 H new ATOM 809 N LEU A 50 10.216 -6.314 10.302 1.00 0.00 N ATOM 810 CA LEU A 50 11.176 -5.401 9.690 1.00 0.00 C ATOM 811 C LEU A 50 10.829 -3.951 10.011 1.00 0.00 C ATOM 812 O LEU A 50 9.704 -3.643 10.404 1.00 0.00 O ATOM 813 CB LEU A 50 11.208 -5.606 8.174 1.00 0.00 C ATOM 814 CG LEU A 50 10.858 -7.009 7.679 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.902 -7.065 6.160 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.803 -8.039 8.280 1.00 0.00 C ATOM 0 H LEU A 50 9.281 -6.278 9.895 1.00 0.00 H new ATOM 0 HA LEU A 50 12.162 -5.619 10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.516 -4.898 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.206 -5.354 7.814 1.00 0.00 H new ATOM 0 HG LEU A 50 9.844 -7.245 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.650 -8.071 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.184 -6.356 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.904 -6.808 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.538 -9.032 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.827 -7.807 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.721 -8.017 9.367 1.00 0.00 H new ATOM 828 N ASP A 51 11.803 -3.064 9.840 1.00 0.00 N ATOM 829 CA ASP A 51 11.600 -1.645 10.109 1.00 0.00 C ATOM 830 C ASP A 51 10.823 -0.983 8.976 1.00 0.00 C ATOM 831 O ASP A 51 10.469 -1.631 7.992 1.00 0.00 O ATOM 832 CB ASP A 51 12.946 -0.943 10.299 1.00 0.00 C ATOM 833 CG ASP A 51 13.723 -0.820 9.003 1.00 0.00 C ATOM 834 OD1 ASP A 51 13.480 -1.632 8.086 1.00 0.00 O ATOM 835 OD2 ASP A 51 14.573 0.090 8.905 1.00 0.00 O ATOM 0 H ASP A 51 12.741 -3.302 9.517 1.00 0.00 H new ATOM 0 HA ASP A 51 11.018 -1.554 11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.779 0.051 10.715 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.542 -1.496 11.025 1.00 0.00 H new ATOM 840 N GLU A 52 10.560 0.312 9.123 1.00 0.00 N ATOM 841 CA GLU A 52 9.822 1.061 8.112 1.00 0.00 C ATOM 842 C GLU A 52 10.523 0.985 6.759 1.00 0.00 C ATOM 843 O GLU A 52 9.895 1.139 5.712 1.00 0.00 O ATOM 844 CB GLU A 52 9.669 2.522 8.538 1.00 0.00 C ATOM 845 CG GLU A 52 10.982 3.287 8.571 1.00 0.00 C ATOM 846 CD GLU A 52 10.796 4.749 8.928 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.643 5.228 8.890 1.00 0.00 O ATOM 848 OE2 GLU A 52 11.804 5.415 9.245 1.00 0.00 O ATOM 0 H GLU A 52 10.847 0.864 9.932 1.00 0.00 H new ATOM 0 HA GLU A 52 8.833 0.613 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.984 3.022 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.213 2.557 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.651 2.822 9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.466 3.213 7.597 1.00 0.00 H new ATOM 855 N ALA A 53 11.831 0.747 6.789 1.00 0.00 N ATOM 856 CA ALA A 53 12.618 0.650 5.566 1.00 0.00 C ATOM 857 C ALA A 53 12.409 -0.699 4.885 1.00 0.00 C ATOM 858 O ALA A 53 12.707 -0.860 3.703 1.00 0.00 O ATOM 859 CB ALA A 53 14.093 0.867 5.870 1.00 0.00 C ATOM 0 H ALA A 53 12.367 0.618 7.647 1.00 0.00 H new ATOM 0 HA ALA A 53 12.281 1.429 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.669 0.792 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.233 1.856 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.435 0.109 6.574 1.00 0.00 H new ATOM 865 N GLY A 54 11.896 -1.665 5.640 1.00 0.00 N ATOM 866 CA GLY A 54 11.657 -2.987 5.092 1.00 0.00 C ATOM 867 C GLY A 54 12.861 -3.898 5.230 1.00 0.00 C ATOM 868 O GLY A 54 12.967 -4.908 4.535 1.00 0.00 O ATOM 0 H GLY A 54 11.642 -1.556 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.804 -3.438 5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.392 -2.898 4.039 1.00 0.00 H new ATOM 872 N GLY A 55 13.772 -3.540 6.130 1.00 0.00 N ATOM 873 CA GLY A 55 14.963 -4.342 6.339 1.00 0.00 C ATOM 874 C GLY A 55 14.711 -5.530 7.247 1.00 0.00 C ATOM 875 O GLY A 55 14.323 -6.602 6.784 1.00 0.00 O ATOM 0 H GLY A 55 13.706 -2.709 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.332 -4.696 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.746 -3.718 6.771 1.00 0.00 H new ATOM 879 N ALA A 56 14.931 -5.339 8.543 1.00 0.00 N ATOM 880 CA ALA A 56 14.725 -6.403 9.518 1.00 0.00 C ATOM 881 C ALA A 56 15.009 -5.913 10.934 1.00 0.00 C ATOM 882 O ALA A 56 15.787 -4.980 11.135 1.00 0.00 O ATOM 883 CB ALA A 56 15.602 -7.601 9.186 1.00 0.00 C ATOM 0 H ALA A 56 15.252 -4.457 8.943 1.00 0.00 H new ATOM 0 HA ALA A 56 13.680 -6.708 9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.438 -8.388 9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.348 -7.974 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.650 -7.301 9.203 1.00 0.00 H new ATOM 889 N VAL A 57 14.373 -6.547 11.914 1.00 0.00 N ATOM 890 CA VAL A 57 14.557 -6.175 13.312 1.00 0.00 C ATOM 891 C VAL A 57 14.737 -7.409 14.189 1.00 0.00 C ATOM 892 O VAL A 57 15.825 -7.664 14.704 1.00 0.00 O ATOM 893 CB VAL A 57 13.364 -5.355 13.837 1.00 0.00 C ATOM 894 CG1 VAL A 57 13.635 -4.864 15.251 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.070 -4.188 12.906 1.00 0.00 C ATOM 0 H VAL A 57 13.725 -7.321 11.766 1.00 0.00 H new ATOM 0 HA VAL A 57 15.458 -5.563 13.361 1.00 0.00 H new ATOM 0 HB VAL A 57 12.485 -6.000 13.864 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.781 -4.287 15.606 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.793 -5.719 15.909 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.525 -4.235 15.253 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.224 -3.619 13.292 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.945 -3.541 12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.830 -4.567 11.913 1.00 0.00 H new ATOM 905 N ALA A 58 13.662 -8.173 14.354 1.00 0.00 N ATOM 906 CA ALA A 58 13.701 -9.382 15.167 1.00 0.00 C ATOM 907 C ALA A 58 13.038 -10.550 14.445 1.00 0.00 C ATOM 908 O ALA A 58 12.228 -10.353 13.540 1.00 0.00 O ATOM 909 CB ALA A 58 13.027 -9.137 16.509 1.00 0.00 C ATOM 0 H ALA A 58 12.753 -7.976 13.935 1.00 0.00 H new ATOM 0 HA ALA A 58 14.746 -9.641 15.339 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.063 -10.048 17.106 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.546 -8.337 17.036 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.988 -8.850 16.347 1.00 0.00 H new ATOM 915 N GLN A 59 13.388 -11.766 14.852 1.00 0.00 N ATOM 916 CA GLN A 59 12.828 -12.966 14.242 1.00 0.00 C ATOM 917 C GLN A 59 12.229 -13.886 15.301 1.00 0.00 C ATOM 918 O GLN A 59 12.848 -14.151 16.330 1.00 0.00 O ATOM 919 CB GLN A 59 13.904 -13.712 13.451 1.00 0.00 C ATOM 920 CG GLN A 59 14.761 -12.804 12.584 1.00 0.00 C ATOM 921 CD GLN A 59 15.725 -13.576 11.706 1.00 0.00 C ATOM 922 OE1 GLN A 59 16.147 -14.681 12.049 1.00 0.00 O ATOM 923 NE2 GLN A 59 16.080 -12.998 10.564 1.00 0.00 N ATOM 0 H GLN A 59 14.056 -11.946 15.601 1.00 0.00 H new ATOM 0 HA GLN A 59 12.034 -12.660 13.561 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.548 -14.249 14.147 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.425 -14.459 12.818 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.114 -12.191 11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.323 -12.123 13.223 1.00 0.00 H new ATOM 0 HE21 GLN A 59 15.706 -12.081 10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.726 -13.471 9.932 1.00 0.00 H new ATOM 932 N GLY A 60 11.018 -14.370 15.041 1.00 0.00 N ATOM 933 CA GLY A 60 10.355 -15.255 15.981 1.00 0.00 C ATOM 934 C GLY A 60 9.259 -16.075 15.331 1.00 0.00 C ATOM 935 O GLY A 60 8.665 -15.655 14.338 1.00 0.00 O ATOM 0 H GLY A 60 10.484 -14.165 14.196 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.091 -15.925 16.425 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.930 -14.665 16.793 1.00 0.00 H new ATOM 939 N TYR A 61 8.990 -17.249 15.891 1.00 0.00 N ATOM 940 CA TYR A 61 7.960 -18.133 15.357 1.00 0.00 C ATOM 941 C TYR A 61 6.727 -18.138 16.255 1.00 0.00 C ATOM 942 O TYR A 61 6.837 -18.171 17.481 1.00 0.00 O ATOM 943 CB TYR A 61 8.505 -19.555 15.211 1.00 0.00 C ATOM 944 CG TYR A 61 8.657 -20.283 16.528 1.00 0.00 C ATOM 945 CD1 TYR A 61 7.600 -20.999 17.075 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.859 -20.254 17.225 1.00 0.00 C ATOM 947 CE1 TYR A 61 7.734 -21.665 18.278 1.00 0.00 C ATOM 948 CE2 TYR A 61 10.003 -20.918 18.428 1.00 0.00 C ATOM 949 CZ TYR A 61 8.938 -21.622 18.950 1.00 0.00 C ATOM 950 OH TYR A 61 9.077 -22.283 20.149 1.00 0.00 O ATOM 0 H TYR A 61 9.471 -17.611 16.715 1.00 0.00 H new ATOM 0 HA TYR A 61 7.670 -17.760 14.375 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.839 -20.126 14.565 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.474 -19.515 14.714 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.657 -21.036 16.551 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.695 -19.703 16.819 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.901 -22.216 18.690 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.944 -20.886 18.957 1.00 0.00 H new ATOM 0 HH TYR A 61 10.008 -22.569 20.259 1.00 0.00 H new ATOM 960 N VAL A 62 5.552 -18.105 15.635 1.00 0.00 N ATOM 961 CA VAL A 62 4.296 -18.108 16.377 1.00 0.00 C ATOM 962 C VAL A 62 3.184 -18.769 15.572 1.00 0.00 C ATOM 963 O VAL A 62 3.227 -18.834 14.343 1.00 0.00 O ATOM 964 CB VAL A 62 3.863 -16.678 16.752 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.674 -16.167 17.933 1.00 0.00 C ATOM 966 CG2 VAL A 62 4.004 -15.748 15.556 1.00 0.00 C ATOM 0 H VAL A 62 5.443 -18.076 14.621 1.00 0.00 H new ATOM 0 HA VAL A 62 4.468 -18.679 17.289 1.00 0.00 H new ATOM 0 HB VAL A 62 2.813 -16.700 17.045 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.354 -15.156 18.184 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.518 -16.820 18.792 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.732 -16.159 17.671 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.694 -14.742 15.839 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.044 -15.729 15.231 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.375 -16.106 14.741 1.00 0.00 H new ATOM 976 N PRO A 63 2.161 -19.273 16.278 1.00 0.00 N ATOM 977 CA PRO A 63 1.016 -19.938 15.650 1.00 0.00 C ATOM 978 C PRO A 63 0.131 -18.964 14.879 1.00 0.00 C ATOM 979 O PRO A 63 0.058 -17.781 15.210 1.00 0.00 O ATOM 980 CB PRO A 63 0.252 -20.529 16.838 1.00 0.00 C ATOM 981 CG PRO A 63 0.626 -19.666 17.994 1.00 0.00 C ATOM 982 CD PRO A 63 2.043 -19.232 17.746 1.00 0.00 C ATOM 0 HA PRO A 63 1.329 -20.680 14.916 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.824 -20.514 16.664 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.532 -21.568 17.012 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.038 -18.805 18.069 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.544 -20.214 18.933 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.231 -18.232 18.136 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.758 -19.901 18.225 1.00 0.00 H new ATOM 990 N HIS A 64 -0.540 -19.470 13.849 1.00 0.00 N ATOM 991 CA HIS A 64 -1.421 -18.644 13.031 1.00 0.00 C ATOM 992 C HIS A 64 -2.482 -17.964 13.892 1.00 0.00 C ATOM 993 O HIS A 64 -3.012 -16.916 13.527 1.00 0.00 O ATOM 994 CB HIS A 64 -2.092 -19.492 11.950 1.00 0.00 C ATOM 995 CG HIS A 64 -2.856 -18.687 10.945 1.00 0.00 C ATOM 996 ND1 HIS A 64 -4.135 -18.222 11.168 1.00 0.00 N ATOM 997 CD2 HIS A 64 -2.514 -18.262 9.706 1.00 0.00 C ATOM 998 CE1 HIS A 64 -4.548 -17.548 10.110 1.00 0.00 C ATOM 999 NE2 HIS A 64 -3.582 -17.557 9.208 1.00 0.00 N ATOM 0 H HIS A 64 -0.491 -20.447 13.561 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.816 -17.873 12.554 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.330 -20.075 11.433 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.769 -20.202 12.425 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.576 -18.444 9.203 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.511 -17.071 10.001 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.623 -17.112 8.291 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.786 -18.569 15.035 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.785 -18.023 15.947 1.00 0.00 C ATOM 1009 C ASN A 65 -3.349 -16.660 16.478 1.00 0.00 C ATOM 1010 O ASN A 65 -4.170 -15.877 16.954 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.022 -18.985 17.113 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.144 -18.525 18.023 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -6.310 -18.501 17.627 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -4.797 -18.156 19.250 1.00 0.00 N ATOM 0 H ASN A 65 -2.355 -19.437 15.352 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.716 -17.897 15.394 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.258 -19.975 16.722 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.104 -19.082 17.693 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.509 -17.837 19.907 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.819 -18.192 19.536 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.052 -16.385 16.391 1.00 0.00 N ATOM 1022 CA TYR A 66 -1.506 -15.119 16.863 1.00 0.00 C ATOM 1023 C TYR A 66 -1.704 -14.019 15.825 1.00 0.00 C ATOM 1024 O TYR A 66 -2.164 -12.922 16.145 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.019 -15.269 17.186 1.00 0.00 C ATOM 1026 CG TYR A 66 0.343 -14.840 18.590 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -0.183 -13.676 19.139 1.00 0.00 C ATOM 1028 CD2 TYR A 66 1.210 -15.597 19.368 1.00 0.00 C ATOM 1029 CE1 TYR A 66 0.145 -13.279 20.421 1.00 0.00 C ATOM 1030 CE2 TYR A 66 1.542 -15.208 20.652 1.00 0.00 C ATOM 1031 CZ TYR A 66 1.007 -14.049 21.173 1.00 0.00 C ATOM 1032 OH TYR A 66 1.337 -13.658 22.451 1.00 0.00 O ATOM 0 H TYR A 66 -1.360 -17.022 15.998 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.041 -14.838 17.770 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.271 -16.311 17.047 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.560 -14.680 16.475 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.860 -13.072 18.553 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.632 -16.505 18.963 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.271 -12.371 20.832 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.217 -15.809 21.244 1.00 0.00 H new ATOM 0 HH TYR A 66 1.953 -14.311 22.844 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.353 -14.320 14.580 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.492 -13.359 13.492 1.00 0.00 C ATOM 1044 C LEU A 67 -1.855 -14.061 12.187 1.00 0.00 C ATOM 1045 O LEU A 67 -1.663 -15.268 12.046 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.195 -12.568 13.315 1.00 0.00 C ATOM 1047 CG LEU A 67 0.960 -13.314 12.644 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.156 -14.680 13.284 1.00 0.00 C ATOM 1049 CD2 LEU A 67 0.708 -13.454 11.150 1.00 0.00 C ATOM 0 H LEU A 67 -0.970 -15.222 14.299 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.298 -12.671 13.749 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.414 -11.676 12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.138 -12.231 14.296 1.00 0.00 H new ATOM 0 HG LEU A 67 1.873 -12.735 12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.982 -15.196 12.794 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.383 -14.556 14.343 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.244 -15.267 13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.540 -13.987 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.215 -14.011 10.987 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.618 -12.464 10.702 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.380 -13.296 11.235 1.00 0.00 N ATOM 1062 CA ALA A 68 -2.765 -13.844 9.941 1.00 0.00 C ATOM 1063 C ALA A 68 -2.626 -12.799 8.839 1.00 0.00 C ATOM 1064 O ALA A 68 -2.814 -11.606 9.075 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.192 -14.370 9.994 1.00 0.00 C ATOM 0 H ALA A 68 -2.548 -12.295 11.336 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.093 -14.670 9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.466 -14.776 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.263 -15.154 10.748 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.870 -13.557 10.252 1.00 0.00 H new ATOM 1071 N GLU A 69 -2.295 -13.255 7.635 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.129 -12.358 6.498 1.00 0.00 C ATOM 1073 C GLU A 69 -3.394 -11.537 6.264 1.00 0.00 C ATOM 1074 O GLU A 69 -4.496 -12.080 6.201 1.00 0.00 O ATOM 1075 CB GLU A 69 -1.784 -13.155 5.237 1.00 0.00 C ATOM 1076 CG GLU A 69 -2.845 -14.172 4.852 1.00 0.00 C ATOM 1077 CD GLU A 69 -2.293 -15.293 3.992 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -1.788 -16.283 4.562 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -2.366 -15.180 2.751 1.00 0.00 O ATOM 0 H GLU A 69 -2.137 -14.240 7.422 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.310 -11.675 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.638 -12.463 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.837 -13.671 5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.283 -14.595 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.648 -13.668 4.314 1.00 0.00 H new ATOM 1086 N ARG A 70 -3.225 -10.225 6.136 1.00 0.00 N ATOM 1087 CA ARG A 70 -4.352 -9.328 5.911 1.00 0.00 C ATOM 1088 C ARG A 70 -4.300 -8.731 4.508 1.00 0.00 C ATOM 1089 O ARG A 70 -3.742 -7.653 4.302 1.00 0.00 O ATOM 1090 CB ARG A 70 -4.356 -8.208 6.953 1.00 0.00 C ATOM 1091 CG ARG A 70 -5.125 -8.556 8.217 1.00 0.00 C ATOM 1092 CD ARG A 70 -5.629 -7.307 8.924 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.678 -7.480 10.373 1.00 0.00 N ATOM 1094 CZ ARG A 70 -6.600 -8.204 10.996 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -7.546 -8.821 10.300 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -6.578 -8.314 12.318 1.00 0.00 N ATOM 0 H ARG A 70 -2.319 -9.760 6.184 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.270 -9.908 6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.327 -7.967 7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.789 -7.312 6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.969 -9.199 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.482 -9.123 8.891 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.979 -6.466 8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.624 -7.058 8.555 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.964 -7.019 10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.566 -8.740 9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.253 -9.377 10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.852 -7.842 12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.287 -8.871 12.795 1.00 0.00 H new ATOM 1110 N GLU A 71 -4.884 -9.439 3.546 1.00 0.00 N ATOM 1111 CA GLU A 71 -4.902 -8.979 2.163 1.00 0.00 C ATOM 1112 C GLU A 71 -5.521 -7.588 2.060 1.00 0.00 C ATOM 1113 O GLU A 71 -6.261 -7.158 2.946 1.00 0.00 O ATOM 1114 CB GLU A 71 -5.680 -9.962 1.285 1.00 0.00 C ATOM 1115 CG GLU A 71 -5.251 -11.408 1.463 1.00 0.00 C ATOM 1116 CD GLU A 71 -5.795 -12.316 0.377 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -6.159 -11.799 -0.701 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -5.859 -13.542 0.604 1.00 0.00 O ATOM 0 H GLU A 71 -5.351 -10.333 3.699 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.872 -8.926 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.743 -9.877 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.554 -9.681 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.162 -11.462 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.590 -11.767 2.435 1.00 0.00 H new ATOM 1125 N THR A 72 -5.213 -6.888 0.973 1.00 0.00 N ATOM 1126 CA THR A 72 -5.737 -5.546 0.754 1.00 0.00 C ATOM 1127 C THR A 72 -6.886 -5.561 -0.247 1.00 0.00 C ATOM 1128 O THR A 72 -7.343 -4.510 -0.698 1.00 0.00 O ATOM 1129 CB THR A 72 -4.640 -4.591 0.245 1.00 0.00 C ATOM 1130 OG1 THR A 72 -3.960 -5.176 -0.871 1.00 0.00 O ATOM 1131 CG2 THR A 72 -3.639 -4.280 1.348 1.00 0.00 C ATOM 0 H THR A 72 -4.603 -7.229 0.230 1.00 0.00 H new ATOM 0 HA THR A 72 -6.102 -5.188 1.717 1.00 0.00 H new ATOM 0 HB THR A 72 -5.115 -3.661 -0.066 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.266 -4.562 -1.189 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.874 -3.604 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.154 -3.808 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.170 -5.205 1.685 1.00 0.00 H new TER 1139 THR A 72