USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 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 1 MET CE :methyl -104:sc=-0.00173 (180deg=-0.145) USER MOD Set 1.2: A 69 TYR OH : rot 70:sc= 0.654 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -0.0138 (180deg=-0.185) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -144:sc= 0.128 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 93:sc= 1.39 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 120:sc= 1.18 USER MOD Single : A 50 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0727) USER MOD Single : A 51 ASN : amide:sc= -0.0277 K(o=-0.028,f=-1.5!) USER MOD Single : A 52 GLN : amide:sc= -5.01 K(o=-5,f=-1.4) USER MOD Single : A 54 LYS NZ :NH3+ -117:sc= 0.0514 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.421 -5.062 2.488 1.00 0.00 N ATOM 2 CA MET A 1 -17.882 -5.049 2.193 1.00 0.00 C ATOM 3 C MET A 1 -18.621 -5.996 3.143 1.00 0.00 C ATOM 4 O MET A 1 -19.507 -5.594 3.870 1.00 0.00 O ATOM 5 CB MET A 1 -18.001 -5.536 0.749 1.00 0.00 C ATOM 6 CG MET A 1 -19.289 -4.988 0.132 1.00 0.00 C ATOM 7 SD MET A 1 -19.080 -4.823 -1.659 1.00 0.00 S ATOM 8 CE MET A 1 -19.023 -6.590 -2.043 1.00 0.00 C ATOM 0 H1 MET A 1 -15.930 -4.416 1.838 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.262 -4.753 3.468 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.050 -6.026 2.364 1.00 0.00 H new ATOM 0 HA MET A 1 -18.321 -4.060 2.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.138 -5.206 0.170 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.006 -6.626 0.720 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.122 -5.656 0.351 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.532 -4.020 0.571 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.993 -6.885 -2.245 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.404 -7.159 -1.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.637 -6.792 -2.921 1.00 0.00 H new ATOM 20 N GLU A 2 -18.263 -7.250 3.144 1.00 0.00 N ATOM 21 CA GLU A 2 -18.946 -8.219 4.050 1.00 0.00 C ATOM 22 C GLU A 2 -17.940 -9.233 4.598 1.00 0.00 C ATOM 23 O GLU A 2 -17.691 -10.263 4.001 1.00 0.00 O ATOM 24 CB GLU A 2 -19.987 -8.914 3.173 1.00 0.00 C ATOM 25 CG GLU A 2 -21.067 -9.533 4.063 1.00 0.00 C ATOM 26 CD GLU A 2 -21.714 -10.713 3.335 1.00 0.00 C ATOM 27 OE1 GLU A 2 -22.017 -10.566 2.162 1.00 0.00 O ATOM 28 OE2 GLU A 2 -21.898 -11.742 3.962 1.00 0.00 O ATOM 0 H GLU A 2 -17.528 -7.647 2.558 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.400 -7.729 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -20.434 -8.198 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.512 -9.686 2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -20.630 -9.868 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -21.822 -8.786 4.310 1.00 0.00 H new ATOM 35 N ILE A 3 -17.356 -8.948 5.730 1.00 0.00 N ATOM 36 CA ILE A 3 -16.364 -9.891 6.321 1.00 0.00 C ATOM 37 C ILE A 3 -16.543 -9.945 7.841 1.00 0.00 C ATOM 38 O ILE A 3 -16.684 -8.931 8.492 1.00 0.00 O ATOM 39 CB ILE A 3 -14.995 -9.311 5.947 1.00 0.00 C ATOM 40 CG1 ILE A 3 -14.929 -7.833 6.361 1.00 0.00 C ATOM 41 CG2 ILE A 3 -14.795 -9.437 4.433 1.00 0.00 C ATOM 42 CD1 ILE A 3 -13.632 -7.199 5.846 1.00 0.00 C ATOM 0 H ILE A 3 -17.524 -8.101 6.272 1.00 0.00 H new ATOM 0 HA ILE A 3 -16.480 -10.910 5.953 1.00 0.00 H new ATOM 0 HB ILE A 3 -14.209 -9.859 6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -15.789 -7.296 5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -14.978 -7.749 7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -13.823 -9.026 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -14.839 -10.488 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -15.580 -8.887 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.595 -6.151 6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.777 -7.727 6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.600 -7.267 4.759 1.00 0.00 H new ATOM 54 N ASP A 4 -16.552 -11.124 8.411 1.00 0.00 N ATOM 55 CA ASP A 4 -16.737 -11.246 9.895 1.00 0.00 C ATOM 56 C ASP A 4 -16.715 -12.714 10.331 1.00 0.00 C ATOM 57 O ASP A 4 -16.323 -13.036 11.435 1.00 0.00 O ATOM 58 CB ASP A 4 -18.115 -10.641 10.183 1.00 0.00 C ATOM 59 CG ASP A 4 -18.045 -9.790 11.451 1.00 0.00 C ATOM 60 OD1 ASP A 4 -18.001 -10.366 12.526 1.00 0.00 O ATOM 61 OD2 ASP A 4 -18.039 -8.577 11.327 1.00 0.00 O ATOM 0 H ASP A 4 -16.440 -12.008 7.916 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.938 -10.740 10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -18.439 -10.030 9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -18.853 -11.434 10.305 1.00 0.00 H new ATOM 66 N GLU A 5 -17.145 -13.599 9.481 1.00 0.00 N ATOM 67 CA GLU A 5 -17.163 -15.046 9.848 1.00 0.00 C ATOM 68 C GLU A 5 -15.735 -15.576 9.994 1.00 0.00 C ATOM 69 O GLU A 5 -15.257 -16.341 9.180 1.00 0.00 O ATOM 70 CB GLU A 5 -17.881 -15.739 8.691 1.00 0.00 C ATOM 71 CG GLU A 5 -19.393 -15.609 8.881 1.00 0.00 C ATOM 72 CD GLU A 5 -20.052 -16.977 8.686 1.00 0.00 C ATOM 73 OE1 GLU A 5 -19.720 -17.884 9.431 1.00 0.00 O ATOM 74 OE2 GLU A 5 -20.877 -17.094 7.795 1.00 0.00 O ATOM 0 H GLU A 5 -17.487 -13.386 8.544 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.662 -15.224 10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.583 -15.291 7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.598 -16.791 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.613 -15.226 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.800 -14.893 8.167 1.00 0.00 H new ATOM 81 N GLY A 6 -15.053 -15.173 11.032 1.00 0.00 N ATOM 82 CA GLY A 6 -13.656 -15.645 11.247 1.00 0.00 C ATOM 83 C GLY A 6 -12.828 -15.428 9.979 1.00 0.00 C ATOM 84 O GLY A 6 -11.829 -16.084 9.765 1.00 0.00 O ATOM 0 H GLY A 6 -15.406 -14.534 11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.206 -15.107 12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.658 -16.702 11.513 1.00 0.00 H new ATOM 88 N LYS A 7 -13.224 -14.509 9.141 1.00 0.00 N ATOM 89 CA LYS A 7 -12.434 -14.255 7.902 1.00 0.00 C ATOM 90 C LYS A 7 -11.217 -13.392 8.248 1.00 0.00 C ATOM 91 O LYS A 7 -11.347 -12.337 8.836 1.00 0.00 O ATOM 92 CB LYS A 7 -13.382 -13.501 6.967 1.00 0.00 C ATOM 93 CG LYS A 7 -12.869 -13.608 5.528 1.00 0.00 C ATOM 94 CD LYS A 7 -13.920 -14.297 4.653 1.00 0.00 C ATOM 95 CE LYS A 7 -14.452 -13.305 3.617 1.00 0.00 C ATOM 96 NZ LYS A 7 -15.833 -12.981 4.073 1.00 0.00 N ATOM 0 H LYS A 7 -14.053 -13.927 9.259 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.067 -15.172 7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.387 -13.916 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.448 -12.454 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.650 -12.615 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.937 -14.173 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.483 -15.161 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.738 -14.667 5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.831 -12.411 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.458 -13.741 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.179 -12.142 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.461 -13.787 3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.825 -12.788 5.095 1.00 0.00 H new ATOM 110 N TYR A 8 -10.036 -13.834 7.910 1.00 0.00 N ATOM 111 CA TYR A 8 -8.821 -13.029 8.244 1.00 0.00 C ATOM 112 C TYR A 8 -8.119 -12.561 6.968 1.00 0.00 C ATOM 113 O TYR A 8 -8.258 -13.154 5.918 1.00 0.00 O ATOM 114 CB TYR A 8 -7.913 -13.980 9.027 1.00 0.00 C ATOM 115 CG TYR A 8 -8.289 -13.959 10.489 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.583 -14.320 10.878 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.343 -13.587 11.455 1.00 0.00 C ATOM 118 CE1 TYR A 8 -9.938 -14.312 12.231 1.00 0.00 C ATOM 119 CE2 TYR A 8 -7.698 -13.577 12.810 1.00 0.00 C ATOM 120 CZ TYR A 8 -8.995 -13.941 13.197 1.00 0.00 C ATOM 121 OH TYR A 8 -9.344 -13.933 14.533 1.00 0.00 O ATOM 0 H TYR A 8 -9.858 -14.711 7.421 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.072 -12.135 8.815 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.005 -14.992 8.633 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.871 -13.684 8.906 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.310 -14.606 10.132 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.343 -13.309 11.155 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.938 -14.591 12.530 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.972 -13.289 13.556 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.574 -13.653 15.071 1.00 0.00 H new ATOM 131 N GLU A 9 -7.361 -11.502 7.055 1.00 0.00 N ATOM 132 CA GLU A 9 -6.641 -10.998 5.849 1.00 0.00 C ATOM 133 C GLU A 9 -5.144 -10.856 6.148 1.00 0.00 C ATOM 134 O GLU A 9 -4.754 -10.365 7.190 1.00 0.00 O ATOM 135 CB GLU A 9 -7.272 -9.634 5.544 1.00 0.00 C ATOM 136 CG GLU A 9 -6.932 -8.638 6.658 1.00 0.00 C ATOM 137 CD GLU A 9 -5.705 -7.816 6.253 1.00 0.00 C ATOM 138 OE1 GLU A 9 -5.477 -7.674 5.064 1.00 0.00 O ATOM 139 OE2 GLU A 9 -5.015 -7.341 7.140 1.00 0.00 O ATOM 0 H GLU A 9 -7.209 -10.964 7.908 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.728 -11.677 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.906 -9.261 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.353 -9.736 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.780 -7.978 6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.735 -9.170 7.588 1.00 0.00 H new ATOM 146 N CYS A 10 -4.303 -11.280 5.244 1.00 0.00 N ATOM 147 CA CYS A 10 -2.836 -11.166 5.479 1.00 0.00 C ATOM 148 C CYS A 10 -2.371 -9.738 5.225 1.00 0.00 C ATOM 149 O CYS A 10 -2.357 -9.275 4.101 1.00 0.00 O ATOM 150 CB CYS A 10 -2.193 -12.096 4.454 1.00 0.00 C ATOM 151 SG CYS A 10 -0.537 -12.574 4.999 1.00 0.00 S ATOM 0 H CYS A 10 -4.569 -11.700 4.353 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.571 -11.425 6.504 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.810 -12.984 4.320 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.136 -11.599 3.486 1.00 0.00 H new ATOM 156 N GLU A 11 -1.968 -9.041 6.245 1.00 0.00 N ATOM 157 CA GLU A 11 -1.479 -7.653 6.028 1.00 0.00 C ATOM 158 C GLU A 11 -0.137 -7.695 5.285 1.00 0.00 C ATOM 159 O GLU A 11 0.366 -6.685 4.834 1.00 0.00 O ATOM 160 CB GLU A 11 -1.297 -7.077 7.428 1.00 0.00 C ATOM 161 CG GLU A 11 -2.281 -5.923 7.638 1.00 0.00 C ATOM 162 CD GLU A 11 -1.600 -4.810 8.439 1.00 0.00 C ATOM 163 OE1 GLU A 11 -0.719 -5.124 9.221 1.00 0.00 O ATOM 164 OE2 GLU A 11 -1.975 -3.663 8.257 1.00 0.00 O ATOM 0 H GLU A 11 -1.955 -9.366 7.212 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.165 -7.052 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.464 -7.852 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.274 -6.724 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.618 -5.539 6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.166 -6.277 8.167 1.00 0.00 H new ATOM 171 N ALA A 12 0.450 -8.861 5.166 1.00 0.00 N ATOM 172 CA ALA A 12 1.762 -8.976 4.467 1.00 0.00 C ATOM 173 C ALA A 12 1.578 -9.103 2.950 1.00 0.00 C ATOM 174 O ALA A 12 2.301 -8.494 2.186 1.00 0.00 O ATOM 175 CB ALA A 12 2.396 -10.249 5.029 1.00 0.00 C ATOM 0 H ALA A 12 0.074 -9.739 5.525 1.00 0.00 H new ATOM 0 HA ALA A 12 2.379 -8.092 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.369 -10.407 4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.521 -10.148 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.750 -11.101 4.817 1.00 0.00 H new ATOM 181 N CYS A 13 0.636 -9.894 2.492 1.00 0.00 N ATOM 182 CA CYS A 13 0.464 -10.036 1.016 1.00 0.00 C ATOM 183 C CYS A 13 -0.944 -9.607 0.575 1.00 0.00 C ATOM 184 O CYS A 13 -1.131 -9.098 -0.512 1.00 0.00 O ATOM 185 CB CYS A 13 0.748 -11.521 0.719 1.00 0.00 C ATOM 186 SG CYS A 13 -0.661 -12.573 1.166 1.00 0.00 S ATOM 0 H CYS A 13 -0.009 -10.437 3.066 1.00 0.00 H new ATOM 0 HA CYS A 13 1.141 -9.389 0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.973 -11.644 -0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.631 -11.841 1.272 1.00 0.00 H new ATOM 191 N GLY A 14 -1.931 -9.795 1.406 1.00 0.00 N ATOM 192 CA GLY A 14 -3.312 -9.379 1.020 1.00 0.00 C ATOM 193 C GLY A 14 -4.191 -10.613 0.796 1.00 0.00 C ATOM 194 O GLY A 14 -5.205 -10.551 0.130 1.00 0.00 O ATOM 0 H GLY A 14 -1.844 -10.216 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.743 -8.753 1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.278 -8.777 0.112 1.00 0.00 H new ATOM 198 N TYR A 15 -3.819 -11.730 1.353 1.00 0.00 N ATOM 199 CA TYR A 15 -4.639 -12.963 1.176 1.00 0.00 C ATOM 200 C TYR A 15 -5.790 -12.974 2.188 1.00 0.00 C ATOM 201 O TYR A 15 -5.812 -12.199 3.123 1.00 0.00 O ATOM 202 CB TYR A 15 -3.675 -14.124 1.437 1.00 0.00 C ATOM 203 CG TYR A 15 -4.437 -15.430 1.435 1.00 0.00 C ATOM 204 CD1 TYR A 15 -4.999 -15.913 2.623 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.583 -16.156 0.246 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.706 -17.121 2.623 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.290 -17.364 0.246 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.851 -17.847 1.435 1.00 0.00 C ATOM 209 OH TYR A 15 -6.548 -19.038 1.437 1.00 0.00 O ATOM 0 H TYR A 15 -2.982 -11.844 1.924 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.086 -13.027 0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.899 -14.144 0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.175 -13.985 2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.887 -15.353 3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.150 -15.784 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.140 -17.493 3.540 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.403 -17.924 -0.671 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.556 -19.414 0.532 1.00 0.00 H new ATOM 219 N ILE A 16 -6.746 -13.846 2.011 1.00 0.00 N ATOM 220 CA ILE A 16 -7.890 -13.899 2.968 1.00 0.00 C ATOM 221 C ILE A 16 -8.139 -15.340 3.420 1.00 0.00 C ATOM 222 O ILE A 16 -8.460 -16.204 2.629 1.00 0.00 O ATOM 223 CB ILE A 16 -9.085 -13.359 2.182 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.838 -11.889 1.836 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.357 -13.484 3.028 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.771 -11.056 3.118 1.00 0.00 C ATOM 0 H ILE A 16 -6.785 -14.522 1.248 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.703 -13.318 3.871 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.209 -13.934 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.907 -11.789 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.636 -11.519 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.207 -13.098 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.529 -14.532 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.240 -12.911 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.595 -10.011 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.713 -11.144 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.957 -11.419 3.746 1.00 0.00 H new ATOM 238 N TYR A 17 -7.994 -15.600 4.689 1.00 0.00 N ATOM 239 CA TYR A 17 -8.220 -16.983 5.201 1.00 0.00 C ATOM 240 C TYR A 17 -9.718 -17.243 5.396 1.00 0.00 C ATOM 241 O TYR A 17 -10.437 -16.425 5.939 1.00 0.00 O ATOM 242 CB TYR A 17 -7.482 -17.037 6.544 1.00 0.00 C ATOM 243 CG TYR A 17 -7.815 -18.328 7.262 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.251 -19.535 6.833 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.697 -18.316 8.350 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.568 -20.729 7.493 1.00 0.00 C ATOM 247 CE2 TYR A 17 -9.013 -19.510 9.010 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.448 -20.717 8.581 1.00 0.00 C ATOM 249 OH TYR A 17 -8.759 -21.894 9.232 1.00 0.00 O ATOM 0 H TYR A 17 -7.728 -14.914 5.396 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.858 -17.742 4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.406 -16.968 6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.766 -16.184 7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.572 -19.546 5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.134 -17.385 8.680 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.133 -21.660 7.162 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.692 -19.500 9.850 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.698 -21.875 9.511 1.00 0.00 H new ATOM 259 N GLU A 18 -10.183 -18.385 4.967 1.00 0.00 N ATOM 260 CA GLU A 18 -11.626 -18.722 5.131 1.00 0.00 C ATOM 261 C GLU A 18 -11.779 -19.879 6.131 1.00 0.00 C ATOM 262 O GLU A 18 -11.348 -20.983 5.861 1.00 0.00 O ATOM 263 CB GLU A 18 -12.087 -19.156 3.739 1.00 0.00 C ATOM 264 CG GLU A 18 -12.470 -17.922 2.920 1.00 0.00 C ATOM 265 CD GLU A 18 -13.661 -18.256 2.020 1.00 0.00 C ATOM 266 OE1 GLU A 18 -14.783 -18.080 2.465 1.00 0.00 O ATOM 267 OE2 GLU A 18 -13.430 -18.683 0.901 1.00 0.00 O ATOM 0 H GLU A 18 -9.622 -19.103 4.508 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.211 -17.885 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.292 -19.707 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.939 -19.830 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.723 -17.096 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.624 -17.597 2.315 1.00 0.00 H new ATOM 274 N PRO A 19 -12.379 -19.595 7.261 1.00 0.00 N ATOM 275 CA PRO A 19 -12.567 -20.642 8.295 1.00 0.00 C ATOM 276 C PRO A 19 -13.634 -21.650 7.871 1.00 0.00 C ATOM 277 O PRO A 19 -13.349 -22.802 7.612 1.00 0.00 O ATOM 278 CB PRO A 19 -13.006 -19.857 9.527 1.00 0.00 C ATOM 279 CG PRO A 19 -13.594 -18.583 9.006 1.00 0.00 C ATOM 280 CD PRO A 19 -12.934 -18.297 7.680 1.00 0.00 C ATOM 0 HA PRO A 19 -11.666 -21.230 8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.738 -20.417 10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.161 -19.658 10.186 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.673 -18.678 8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.422 -17.765 9.706 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.652 -17.918 6.952 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.152 -17.544 7.779 1.00 0.00 H new ATOM 288 N GLU A 20 -14.860 -21.222 7.811 1.00 0.00 N ATOM 289 CA GLU A 20 -15.973 -22.141 7.415 1.00 0.00 C ATOM 290 C GLU A 20 -15.589 -22.982 6.192 1.00 0.00 C ATOM 291 O GLU A 20 -16.093 -24.071 5.996 1.00 0.00 O ATOM 292 CB GLU A 20 -17.144 -21.218 7.080 1.00 0.00 C ATOM 293 CG GLU A 20 -17.833 -20.776 8.373 1.00 0.00 C ATOM 294 CD GLU A 20 -19.118 -21.582 8.567 1.00 0.00 C ATOM 295 OE1 GLU A 20 -19.017 -22.752 8.894 1.00 0.00 O ATOM 296 OE2 GLU A 20 -20.183 -21.013 8.387 1.00 0.00 O ATOM 0 H GLU A 20 -15.148 -20.266 8.020 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.214 -22.848 8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.788 -20.347 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.855 -21.735 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.166 -20.925 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.062 -19.711 8.330 1.00 0.00 H new ATOM 303 N LYS A 21 -14.705 -22.491 5.368 1.00 0.00 N ATOM 304 CA LYS A 21 -14.299 -23.271 4.162 1.00 0.00 C ATOM 305 C LYS A 21 -13.031 -24.078 4.448 1.00 0.00 C ATOM 306 O LYS A 21 -12.885 -25.198 3.999 1.00 0.00 O ATOM 307 CB LYS A 21 -14.043 -22.226 3.076 1.00 0.00 C ATOM 308 CG LYS A 21 -14.732 -22.661 1.781 1.00 0.00 C ATOM 309 CD LYS A 21 -15.814 -21.644 1.413 1.00 0.00 C ATOM 310 CE LYS A 21 -17.005 -22.371 0.783 1.00 0.00 C ATOM 311 NZ LYS A 21 -18.113 -21.374 0.802 1.00 0.00 N ATOM 0 H LYS A 21 -14.247 -21.586 5.476 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.064 -23.988 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.422 -21.255 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.972 -22.112 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.001 -22.738 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.174 -23.649 1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.135 -21.101 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.414 -20.907 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.779 -22.692 -0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.267 -23.265 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.967 -21.797 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.309 -21.092 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.837 -20.537 0.250 1.00 0.00 H new ATOM 325 N GLY A 22 -12.119 -23.526 5.196 1.00 0.00 N ATOM 326 CA GLY A 22 -10.868 -24.271 5.513 1.00 0.00 C ATOM 327 C GLY A 22 -9.776 -23.909 4.504 1.00 0.00 C ATOM 328 O GLY A 22 -10.051 -23.565 3.371 1.00 0.00 O ATOM 0 H GLY A 22 -12.184 -22.592 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.537 -24.029 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.057 -25.344 5.488 1.00 0.00 H new ATOM 332 N ASP A 23 -8.539 -23.993 4.907 1.00 0.00 N ATOM 333 CA ASP A 23 -7.422 -23.665 3.979 1.00 0.00 C ATOM 334 C ASP A 23 -7.071 -24.893 3.143 1.00 0.00 C ATOM 335 O ASP A 23 -5.982 -25.423 3.226 1.00 0.00 O ATOM 336 CB ASP A 23 -6.250 -23.275 4.882 1.00 0.00 C ATOM 337 CG ASP A 23 -5.498 -22.091 4.267 1.00 0.00 C ATOM 338 OD1 ASP A 23 -5.737 -21.796 3.107 1.00 0.00 O ATOM 339 OD2 ASP A 23 -4.693 -21.499 4.967 1.00 0.00 O ATOM 0 H ASP A 23 -8.253 -24.276 5.844 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.678 -22.864 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.615 -23.011 5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.576 -24.122 5.006 1.00 0.00 H new ATOM 344 N LYS A 24 -7.997 -25.352 2.346 1.00 0.00 N ATOM 345 CA LYS A 24 -7.744 -26.557 1.493 1.00 0.00 C ATOM 346 C LYS A 24 -6.365 -26.479 0.825 1.00 0.00 C ATOM 347 O LYS A 24 -5.756 -27.484 0.519 1.00 0.00 O ATOM 348 CB LYS A 24 -8.851 -26.530 0.439 1.00 0.00 C ATOM 349 CG LYS A 24 -9.781 -27.728 0.644 1.00 0.00 C ATOM 350 CD LYS A 24 -9.013 -29.023 0.369 1.00 0.00 C ATOM 351 CE LYS A 24 -9.165 -29.403 -1.105 1.00 0.00 C ATOM 352 NZ LYS A 24 -10.365 -30.285 -1.151 1.00 0.00 N ATOM 0 H LYS A 24 -8.926 -24.943 2.246 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.750 -27.477 2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.416 -25.601 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.417 -26.560 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.168 -27.731 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.640 -27.653 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.959 -28.893 0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.392 -29.825 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.300 -28.520 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.279 -29.921 -1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.536 -30.588 -2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.205 -31.121 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.193 -29.763 -0.801 1.00 0.00 H new ATOM 366 N PHE A 25 -5.869 -25.294 0.600 1.00 0.00 N ATOM 367 CA PHE A 25 -4.531 -25.157 -0.045 1.00 0.00 C ATOM 368 C PHE A 25 -3.421 -25.441 0.973 1.00 0.00 C ATOM 369 O PHE A 25 -2.340 -25.874 0.622 1.00 0.00 O ATOM 370 CB PHE A 25 -4.464 -23.705 -0.519 1.00 0.00 C ATOM 371 CG PHE A 25 -5.593 -23.438 -1.486 1.00 0.00 C ATOM 372 CD1 PHE A 25 -5.811 -24.305 -2.565 1.00 0.00 C ATOM 373 CD2 PHE A 25 -6.422 -22.326 -1.303 1.00 0.00 C ATOM 374 CE1 PHE A 25 -6.858 -24.059 -3.459 1.00 0.00 C ATOM 375 CE2 PHE A 25 -7.469 -22.080 -2.198 1.00 0.00 C ATOM 376 CZ PHE A 25 -7.688 -22.945 -3.276 1.00 0.00 C ATOM 0 H PHE A 25 -6.331 -24.415 0.834 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.396 -25.860 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.534 -23.029 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.505 -23.512 -1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.171 -25.163 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.254 -21.658 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.027 -24.728 -4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.109 -21.222 -2.057 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.496 -22.754 -3.966 1.00 0.00 H new ATOM 386 N ALA A 26 -3.678 -25.199 2.230 1.00 0.00 N ATOM 387 CA ALA A 26 -2.637 -25.453 3.268 1.00 0.00 C ATOM 388 C ALA A 26 -2.841 -26.833 3.901 1.00 0.00 C ATOM 389 O ALA A 26 -1.903 -27.466 4.345 1.00 0.00 O ATOM 390 CB ALA A 26 -2.838 -24.350 4.309 1.00 0.00 C ATOM 0 H ALA A 26 -4.564 -24.836 2.583 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.630 -25.443 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.107 -24.467 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.706 -23.376 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.844 -24.419 4.723 1.00 0.00 H new ATOM 396 N GLY A 27 -4.056 -27.304 3.941 1.00 0.00 N ATOM 397 CA GLY A 27 -4.312 -28.645 4.541 1.00 0.00 C ATOM 398 C GLY A 27 -5.334 -28.532 5.681 1.00 0.00 C ATOM 399 O GLY A 27 -5.531 -29.463 6.436 1.00 0.00 O ATOM 0 H GLY A 27 -4.881 -26.821 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.683 -29.328 3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.380 -29.066 4.919 1.00 0.00 H new ATOM 403 N ILE A 28 -5.988 -27.408 5.815 1.00 0.00 N ATOM 404 CA ILE A 28 -6.990 -27.261 6.908 1.00 0.00 C ATOM 405 C ILE A 28 -8.413 -27.387 6.338 1.00 0.00 C ATOM 406 O ILE A 28 -8.774 -26.664 5.430 1.00 0.00 O ATOM 407 CB ILE A 28 -6.759 -25.858 7.471 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.375 -25.787 8.119 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.829 -25.544 8.520 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.647 -24.531 7.634 1.00 0.00 C ATOM 0 H ILE A 28 -5.872 -26.590 5.217 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.884 -28.029 7.675 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.819 -25.130 6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.471 -25.768 9.205 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.797 -26.676 7.865 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.663 -24.544 8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.816 -25.591 8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.771 -26.273 9.328 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.661 -24.481 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.538 -24.569 6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.222 -23.647 7.910 1.00 0.00 H new ATOM 422 N PRO A 29 -9.181 -28.301 6.885 1.00 0.00 N ATOM 423 CA PRO A 29 -10.574 -28.500 6.408 1.00 0.00 C ATOM 424 C PRO A 29 -11.458 -27.327 6.849 1.00 0.00 C ATOM 425 O PRO A 29 -11.018 -26.469 7.588 1.00 0.00 O ATOM 426 CB PRO A 29 -11.006 -29.794 7.092 1.00 0.00 C ATOM 427 CG PRO A 29 -10.144 -29.895 8.310 1.00 0.00 C ATOM 428 CD PRO A 29 -8.839 -29.222 7.981 1.00 0.00 C ATOM 0 HA PRO A 29 -10.654 -28.552 5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.063 -29.766 7.358 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.865 -30.653 6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.623 -29.413 9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.982 -30.938 8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.438 -28.687 8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.083 -29.945 7.674 1.00 0.00 H new ATOM 436 N PRO A 30 -12.683 -27.323 6.380 1.00 0.00 N ATOM 437 CA PRO A 30 -13.628 -26.237 6.741 1.00 0.00 C ATOM 438 C PRO A 30 -14.032 -26.354 8.210 1.00 0.00 C ATOM 439 O PRO A 30 -13.398 -27.037 8.990 1.00 0.00 O ATOM 440 CB PRO A 30 -14.826 -26.482 5.829 1.00 0.00 C ATOM 441 CG PRO A 30 -14.763 -27.937 5.509 1.00 0.00 C ATOM 442 CD PRO A 30 -13.304 -28.311 5.485 1.00 0.00 C ATOM 0 HA PRO A 30 -13.203 -25.241 6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.762 -26.225 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.768 -25.874 4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.300 -28.521 6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.231 -28.142 4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.145 -29.330 5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.892 -28.255 4.478 1.00 0.00 H new ATOM 450 N GLY A 31 -15.085 -25.689 8.590 1.00 0.00 N ATOM 451 CA GLY A 31 -15.544 -25.749 10.010 1.00 0.00 C ATOM 452 C GLY A 31 -14.364 -25.472 10.950 1.00 0.00 C ATOM 453 O GLY A 31 -14.337 -25.925 12.077 1.00 0.00 O ATOM 0 H GLY A 31 -15.652 -25.103 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.334 -25.017 10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.968 -26.730 10.223 1.00 0.00 H new ATOM 457 N THR A 32 -13.389 -24.735 10.491 1.00 0.00 N ATOM 458 CA THR A 32 -12.212 -24.434 11.355 1.00 0.00 C ATOM 459 C THR A 32 -11.951 -22.920 11.391 1.00 0.00 C ATOM 460 O THR A 32 -11.647 -22.328 10.375 1.00 0.00 O ATOM 461 CB THR A 32 -11.042 -25.159 10.687 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.446 -26.475 10.330 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.862 -25.230 11.658 1.00 0.00 C ATOM 0 H THR A 32 -13.357 -24.329 9.556 1.00 0.00 H new ATOM 0 HA THR A 32 -12.363 -24.755 12.386 1.00 0.00 H new ATOM 0 HB THR A 32 -10.739 -24.616 9.792 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.780 -26.476 9.409 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.029 -25.747 11.181 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.554 -24.221 11.931 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.161 -25.773 12.554 1.00 0.00 H new ATOM 471 N PRO A 33 -12.079 -22.336 12.560 1.00 0.00 N ATOM 472 CA PRO A 33 -11.851 -20.877 12.700 1.00 0.00 C ATOM 473 C PRO A 33 -10.355 -20.554 12.616 1.00 0.00 C ATOM 474 O PRO A 33 -9.516 -21.351 12.984 1.00 0.00 O ATOM 475 CB PRO A 33 -12.395 -20.558 14.087 1.00 0.00 C ATOM 476 CG PRO A 33 -12.306 -21.845 14.844 1.00 0.00 C ATOM 477 CD PRO A 33 -12.443 -22.960 13.841 1.00 0.00 C ATOM 0 HA PRO A 33 -12.332 -20.295 11.914 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.810 -19.775 14.570 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.424 -20.201 14.035 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.355 -21.916 15.372 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.093 -21.905 15.596 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.783 -23.794 14.080 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.459 -23.353 13.818 1.00 0.00 H new ATOM 485 N PHE A 34 -10.021 -19.388 12.137 1.00 0.00 N ATOM 486 CA PHE A 34 -8.583 -19.006 12.031 1.00 0.00 C ATOM 487 C PHE A 34 -7.893 -19.181 13.389 1.00 0.00 C ATOM 488 O PHE A 34 -6.711 -19.450 13.467 1.00 0.00 O ATOM 489 CB PHE A 34 -8.604 -17.532 11.607 1.00 0.00 C ATOM 490 CG PHE A 34 -7.219 -16.937 11.716 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.739 -16.520 12.963 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.419 -16.804 10.576 1.00 0.00 C ATOM 493 CE1 PHE A 34 -5.456 -15.971 13.070 1.00 0.00 C ATOM 494 CE2 PHE A 34 -5.136 -16.253 10.684 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.655 -15.837 11.931 1.00 0.00 C ATOM 0 H PHE A 34 -10.682 -18.682 11.814 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.032 -19.623 11.321 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.965 -17.446 10.582 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.298 -16.975 12.237 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.358 -16.622 13.842 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.790 -17.126 9.614 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.084 -15.651 14.032 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.517 -16.149 9.805 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.665 -15.413 12.014 1.00 0.00 H new ATOM 505 N VAL A 35 -8.624 -19.028 14.457 1.00 0.00 N ATOM 506 CA VAL A 35 -8.014 -19.183 15.808 1.00 0.00 C ATOM 507 C VAL A 35 -7.594 -20.639 16.047 1.00 0.00 C ATOM 508 O VAL A 35 -6.871 -20.939 16.977 1.00 0.00 O ATOM 509 CB VAL A 35 -9.117 -18.774 16.785 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.494 -17.311 16.544 1.00 0.00 C ATOM 511 CG2 VAL A 35 -10.346 -19.659 16.567 1.00 0.00 C ATOM 0 H VAL A 35 -9.619 -18.802 14.454 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.115 -18.577 15.925 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.759 -18.894 17.808 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.280 -17.018 17.240 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.619 -16.680 16.699 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.852 -17.191 15.521 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.132 -19.368 17.263 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.704 -19.539 15.544 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.078 -20.702 16.738 1.00 0.00 H new ATOM 521 N ASP A 36 -8.041 -21.547 15.220 1.00 0.00 N ATOM 522 CA ASP A 36 -7.664 -22.979 15.411 1.00 0.00 C ATOM 523 C ASP A 36 -6.487 -23.362 14.503 1.00 0.00 C ATOM 524 O ASP A 36 -5.984 -24.466 14.565 1.00 0.00 O ATOM 525 CB ASP A 36 -8.914 -23.770 15.025 1.00 0.00 C ATOM 526 CG ASP A 36 -9.616 -24.264 16.290 1.00 0.00 C ATOM 527 OD1 ASP A 36 -9.471 -23.620 17.316 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.289 -25.280 16.213 1.00 0.00 O ATOM 0 H ASP A 36 -8.649 -21.360 14.423 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.345 -23.181 16.433 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.589 -23.142 14.443 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.642 -24.616 14.394 1.00 0.00 H new ATOM 533 N LEU A 37 -6.039 -22.467 13.662 1.00 0.00 N ATOM 534 CA LEU A 37 -4.896 -22.802 12.762 1.00 0.00 C ATOM 535 C LEU A 37 -3.716 -23.333 13.583 1.00 0.00 C ATOM 536 O LEU A 37 -3.677 -23.201 14.789 1.00 0.00 O ATOM 537 CB LEU A 37 -4.525 -21.485 12.077 1.00 0.00 C ATOM 538 CG LEU A 37 -5.536 -21.178 10.969 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.144 -19.875 10.270 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.547 -22.318 9.949 1.00 0.00 C ATOM 0 H LEU A 37 -6.413 -21.523 13.559 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.154 -23.575 12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.513 -20.675 12.806 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.521 -21.552 11.658 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.529 -21.075 11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.863 -19.655 9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.140 -19.061 10.994 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.150 -19.980 9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.268 -22.095 9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.554 -22.425 9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.827 -23.247 10.445 1.00 0.00 H new ATOM 552 N SER A 38 -2.756 -23.935 12.936 1.00 0.00 N ATOM 553 CA SER A 38 -1.581 -24.477 13.677 1.00 0.00 C ATOM 554 C SER A 38 -0.866 -23.353 14.434 1.00 0.00 C ATOM 555 O SER A 38 -1.051 -22.186 14.153 1.00 0.00 O ATOM 556 CB SER A 38 -0.669 -25.062 12.599 1.00 0.00 C ATOM 557 OG SER A 38 -1.057 -26.400 12.328 1.00 0.00 O ATOM 0 H SER A 38 -2.734 -24.075 11.926 1.00 0.00 H new ATOM 0 HA SER A 38 -1.869 -25.224 14.417 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.731 -24.463 11.691 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.369 -25.033 12.930 1.00 0.00 H new ATOM 0 HG SER A 38 -0.474 -26.776 11.636 1.00 0.00 H new ATOM 563 N ASP A 39 -0.050 -23.699 15.393 1.00 0.00 N ATOM 564 CA ASP A 39 0.676 -22.652 16.166 1.00 0.00 C ATOM 565 C ASP A 39 1.618 -21.873 15.245 1.00 0.00 C ATOM 566 O ASP A 39 1.925 -20.722 15.485 1.00 0.00 O ATOM 567 CB ASP A 39 1.472 -23.422 17.222 1.00 0.00 C ATOM 568 CG ASP A 39 0.902 -23.123 18.609 1.00 0.00 C ATOM 569 OD1 ASP A 39 1.226 -22.077 19.148 1.00 0.00 O ATOM 570 OD2 ASP A 39 0.151 -23.944 19.109 1.00 0.00 O ATOM 0 H ASP A 39 0.145 -24.660 15.674 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.001 -21.925 16.615 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.424 -24.492 17.020 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.523 -23.137 17.180 1.00 0.00 H new ATOM 575 N SER A 40 2.078 -22.491 14.192 1.00 0.00 N ATOM 576 CA SER A 40 2.999 -21.785 13.254 1.00 0.00 C ATOM 577 C SER A 40 2.460 -21.873 11.824 1.00 0.00 C ATOM 578 O SER A 40 3.183 -22.172 10.895 1.00 0.00 O ATOM 579 CB SER A 40 4.330 -22.527 13.373 1.00 0.00 C ATOM 580 OG SER A 40 5.331 -21.632 13.836 1.00 0.00 O ATOM 0 H SER A 40 1.857 -23.454 13.940 1.00 0.00 H new ATOM 0 HA SER A 40 3.102 -20.726 13.491 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.231 -23.366 14.062 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.616 -22.941 12.406 1.00 0.00 H new ATOM 0 HG SER A 40 6.184 -22.108 13.914 1.00 0.00 H new ATOM 586 N PHE A 41 1.195 -21.616 11.643 1.00 0.00 N ATOM 587 CA PHE A 41 0.605 -21.686 10.276 1.00 0.00 C ATOM 588 C PHE A 41 1.265 -20.645 9.361 1.00 0.00 C ATOM 589 O PHE A 41 1.531 -19.529 9.762 1.00 0.00 O ATOM 590 CB PHE A 41 -0.889 -21.384 10.483 1.00 0.00 C ATOM 591 CG PHE A 41 -1.544 -21.013 9.168 1.00 0.00 C ATOM 592 CD1 PHE A 41 -2.045 -22.011 8.324 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.643 -19.666 8.797 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.645 -21.662 7.108 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.244 -19.317 7.582 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.744 -20.315 6.737 1.00 0.00 C ATOM 0 H PHE A 41 0.542 -21.360 12.384 1.00 0.00 H new ATOM 0 HA PHE A 41 0.758 -22.653 9.798 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.386 -22.255 10.910 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.005 -20.568 11.197 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.969 -23.049 8.611 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.256 -18.897 9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.031 -22.431 6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.322 -18.278 7.297 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.206 -20.046 5.799 1.00 0.00 H new ATOM 606 N MET A 42 1.520 -21.004 8.132 1.00 0.00 N ATOM 607 CA MET A 42 2.147 -20.036 7.188 1.00 0.00 C ATOM 608 C MET A 42 1.144 -19.670 6.092 1.00 0.00 C ATOM 609 O MET A 42 0.280 -20.449 5.743 1.00 0.00 O ATOM 610 CB MET A 42 3.355 -20.761 6.583 1.00 0.00 C ATOM 611 CG MET A 42 4.196 -21.396 7.696 1.00 0.00 C ATOM 612 SD MET A 42 5.527 -22.379 6.963 1.00 0.00 S ATOM 613 CE MET A 42 6.419 -22.730 8.497 1.00 0.00 C ATOM 0 H MET A 42 1.321 -21.925 7.741 1.00 0.00 H new ATOM 0 HA MET A 42 2.448 -19.114 7.686 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.018 -21.529 5.887 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.963 -20.059 6.012 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.614 -20.620 8.338 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.568 -22.027 8.325 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.296 -23.338 8.277 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.733 -21.793 8.958 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.766 -23.270 9.182 1.00 0.00 H new ATOM 623 N CYS A 43 1.248 -18.491 5.549 1.00 0.00 N ATOM 624 CA CYS A 43 0.296 -18.078 4.480 1.00 0.00 C ATOM 625 C CYS A 43 0.492 -18.945 3.230 1.00 0.00 C ATOM 626 O CYS A 43 1.610 -19.178 2.814 1.00 0.00 O ATOM 627 CB CYS A 43 0.657 -16.627 4.178 1.00 0.00 C ATOM 628 SG CYS A 43 -0.601 -15.890 3.106 1.00 0.00 S ATOM 0 H CYS A 43 1.950 -17.795 5.798 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.744 -18.191 4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.733 -16.061 5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.633 -16.579 3.695 1.00 0.00 H new ATOM 633 N PRO A 44 -0.601 -19.388 2.656 1.00 0.00 N ATOM 634 CA PRO A 44 -0.522 -20.223 1.435 1.00 0.00 C ATOM 635 C PRO A 44 -0.194 -19.357 0.208 1.00 0.00 C ATOM 636 O PRO A 44 -0.091 -19.853 -0.897 1.00 0.00 O ATOM 637 CB PRO A 44 -1.921 -20.819 1.315 1.00 0.00 C ATOM 638 CG PRO A 44 -2.819 -19.860 2.031 1.00 0.00 C ATOM 639 CD PRO A 44 -1.991 -19.164 3.082 1.00 0.00 C ATOM 0 HA PRO A 44 0.258 -20.982 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.214 -20.928 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.966 -21.811 1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.241 -19.136 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.656 -20.387 2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.225 -18.101 3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.175 -19.579 4.073 1.00 0.00 H new ATOM 647 N ALA A 45 -0.036 -18.069 0.387 1.00 0.00 N ATOM 648 CA ALA A 45 0.275 -17.190 -0.776 1.00 0.00 C ATOM 649 C ALA A 45 1.623 -16.486 -0.582 1.00 0.00 C ATOM 650 O ALA A 45 2.384 -16.321 -1.515 1.00 0.00 O ATOM 651 CB ALA A 45 -0.863 -16.170 -0.812 1.00 0.00 C ATOM 0 H ALA A 45 -0.109 -17.592 1.286 1.00 0.00 H new ATOM 0 HA ALA A 45 0.353 -17.755 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.709 -15.482 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.813 -16.689 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.880 -15.610 0.123 1.00 0.00 H new ATOM 657 N CYS A 46 1.926 -16.065 0.616 1.00 0.00 N ATOM 658 CA CYS A 46 3.229 -15.370 0.845 1.00 0.00 C ATOM 659 C CYS A 46 4.060 -16.088 1.934 1.00 0.00 C ATOM 660 O CYS A 46 5.099 -15.612 2.346 1.00 0.00 O ATOM 661 CB CYS A 46 2.847 -13.918 1.215 1.00 0.00 C ATOM 662 SG CYS A 46 2.542 -13.717 2.994 1.00 0.00 S ATOM 0 H CYS A 46 1.335 -16.170 1.441 1.00 0.00 H new ATOM 0 HA CYS A 46 3.875 -15.381 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.647 -13.245 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.955 -13.627 0.661 1.00 0.00 H new ATOM 667 N ARG A 47 3.620 -17.243 2.369 1.00 0.00 N ATOM 668 CA ARG A 47 4.387 -18.023 3.396 1.00 0.00 C ATOM 669 C ARG A 47 4.686 -17.206 4.663 1.00 0.00 C ATOM 670 O ARG A 47 5.557 -17.563 5.432 1.00 0.00 O ATOM 671 CB ARG A 47 5.695 -18.398 2.699 1.00 0.00 C ATOM 672 CG ARG A 47 5.472 -19.620 1.805 1.00 0.00 C ATOM 673 CD ARG A 47 6.774 -19.960 1.076 1.00 0.00 C ATOM 674 NE ARG A 47 6.680 -21.417 0.783 1.00 0.00 N ATOM 675 CZ ARG A 47 6.699 -21.838 -0.452 1.00 0.00 C ATOM 676 NH1 ARG A 47 6.016 -21.205 -1.366 1.00 0.00 N ATOM 677 NH2 ARG A 47 7.401 -22.891 -0.772 1.00 0.00 N ATOM 0 H ARG A 47 2.756 -17.684 2.055 1.00 0.00 H new ATOM 0 HA ARG A 47 3.811 -18.885 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.053 -17.559 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.464 -18.613 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.146 -20.469 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.680 -19.417 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.877 -19.379 0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.643 -19.737 1.695 1.00 0.00 H new ATOM 0 HE ARG A 47 6.601 -22.087 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.468 -20.382 -1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.030 -21.533 -2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.935 -23.385 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.416 -23.220 -1.737 1.00 0.00 H new ATOM 691 N SER A 48 3.982 -16.133 4.908 1.00 0.00 N ATOM 692 CA SER A 48 4.263 -15.347 6.149 1.00 0.00 C ATOM 693 C SER A 48 3.755 -16.115 7.374 1.00 0.00 C ATOM 694 O SER A 48 3.004 -17.061 7.238 1.00 0.00 O ATOM 695 CB SER A 48 3.499 -14.031 5.991 1.00 0.00 C ATOM 696 OG SER A 48 4.253 -13.141 5.182 1.00 0.00 O ATOM 0 H SER A 48 3.236 -15.770 4.315 1.00 0.00 H new ATOM 0 HA SER A 48 5.330 -15.173 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.525 -14.216 5.537 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.316 -13.585 6.968 1.00 0.00 H new ATOM 0 HG SER A 48 3.737 -12.909 4.382 1.00 0.00 H new ATOM 702 N PRO A 49 4.177 -15.684 8.537 1.00 0.00 N ATOM 703 CA PRO A 49 3.745 -16.352 9.791 1.00 0.00 C ATOM 704 C PRO A 49 2.274 -16.039 10.083 1.00 0.00 C ATOM 705 O PRO A 49 1.816 -14.933 9.892 1.00 0.00 O ATOM 706 CB PRO A 49 4.656 -15.746 10.854 1.00 0.00 C ATOM 707 CG PRO A 49 5.070 -14.419 10.298 1.00 0.00 C ATOM 708 CD PRO A 49 5.082 -14.555 8.798 1.00 0.00 C ATOM 0 HA PRO A 49 3.819 -17.439 9.747 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.133 -15.630 11.803 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.521 -16.382 11.042 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.377 -13.637 10.609 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.056 -14.136 10.668 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.734 -13.644 8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.086 -14.753 8.423 1.00 0.00 H new ATOM 716 N LYS A 50 1.530 -17.008 10.542 1.00 0.00 N ATOM 717 CA LYS A 50 0.086 -16.771 10.843 1.00 0.00 C ATOM 718 C LYS A 50 -0.093 -15.510 11.690 1.00 0.00 C ATOM 719 O LYS A 50 -1.124 -14.869 11.647 1.00 0.00 O ATOM 720 CB LYS A 50 -0.358 -18.011 11.620 1.00 0.00 C ATOM 721 CG LYS A 50 -1.860 -17.936 11.892 1.00 0.00 C ATOM 722 CD LYS A 50 -2.238 -18.987 12.938 1.00 0.00 C ATOM 723 CE LYS A 50 -3.082 -18.336 14.035 1.00 0.00 C ATOM 724 NZ LYS A 50 -2.109 -17.569 14.863 1.00 0.00 N ATOM 0 H LYS A 50 1.859 -17.956 10.723 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.502 -16.618 9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.126 -18.911 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.189 -18.078 12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.128 -16.941 12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.417 -18.107 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.795 -19.798 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.338 -19.426 13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.843 -17.681 13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.603 -19.086 14.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.345 -17.682 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.148 -17.927 14.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.154 -16.562 14.608 1.00 0.00 H new ATOM 738 N ASN A 51 0.899 -15.139 12.447 1.00 0.00 N ATOM 739 CA ASN A 51 0.766 -13.909 13.275 1.00 0.00 C ATOM 740 C ASN A 51 0.605 -12.685 12.367 1.00 0.00 C ATOM 741 O ASN A 51 0.204 -11.626 12.804 1.00 0.00 O ATOM 742 CB ASN A 51 2.061 -13.822 14.082 1.00 0.00 C ATOM 743 CG ASN A 51 1.938 -12.712 15.128 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.856 -12.418 15.594 1.00 0.00 O ATOM 745 ND2 ASN A 51 3.010 -12.078 15.518 1.00 0.00 N ATOM 0 H ASN A 51 1.790 -15.629 12.529 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.107 -13.940 13.927 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.262 -14.776 14.570 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.902 -13.620 13.419 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.939 -11.336 16.214 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.919 -12.325 15.127 1.00 0.00 H new ATOM 752 N GLN A 52 0.901 -12.826 11.101 1.00 0.00 N ATOM 753 CA GLN A 52 0.748 -11.675 10.170 1.00 0.00 C ATOM 754 C GLN A 52 -0.704 -11.577 9.685 1.00 0.00 C ATOM 755 O GLN A 52 -1.069 -10.657 8.972 1.00 0.00 O ATOM 756 CB GLN A 52 1.684 -11.985 9.000 1.00 0.00 C ATOM 757 CG GLN A 52 2.722 -10.868 8.864 1.00 0.00 C ATOM 758 CD GLN A 52 2.009 -9.535 8.639 1.00 0.00 C ATOM 759 OE1 GLN A 52 2.393 -8.525 9.196 1.00 0.00 O ATOM 760 NE2 GLN A 52 0.979 -9.488 7.841 1.00 0.00 N ATOM 0 H GLN A 52 1.241 -13.688 10.675 1.00 0.00 H new ATOM 0 HA GLN A 52 0.990 -10.724 10.645 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.182 -12.941 9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.111 -12.077 8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.337 -10.817 9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.392 -11.079 8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.657 -10.335 7.374 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.495 -8.604 7.684 1.00 0.00 H new ATOM 769 N PHE A 53 -1.542 -12.513 10.061 1.00 0.00 N ATOM 770 CA PHE A 53 -2.963 -12.455 9.614 1.00 0.00 C ATOM 771 C PHE A 53 -3.786 -11.589 10.569 1.00 0.00 C ATOM 772 O PHE A 53 -3.728 -11.748 11.772 1.00 0.00 O ATOM 773 CB PHE A 53 -3.461 -13.898 9.663 1.00 0.00 C ATOM 774 CG PHE A 53 -3.086 -14.616 8.390 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.745 -14.908 8.119 1.00 0.00 C ATOM 776 CD2 PHE A 53 -4.084 -14.995 7.484 1.00 0.00 C ATOM 777 CE1 PHE A 53 -1.401 -15.578 6.939 1.00 0.00 C ATOM 778 CE2 PHE A 53 -3.740 -15.665 6.305 1.00 0.00 C ATOM 779 CZ PHE A 53 -2.399 -15.957 6.032 1.00 0.00 C ATOM 0 H PHE A 53 -1.303 -13.308 10.654 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.056 -12.020 8.619 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.028 -14.412 10.521 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.543 -13.914 9.794 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.976 -14.617 8.819 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.119 -14.770 7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.366 -15.803 6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.509 -15.957 5.606 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.133 -16.475 5.122 1.00 0.00 H new ATOM 789 N LYS A 54 -4.561 -10.683 10.043 1.00 0.00 N ATOM 790 CA LYS A 54 -5.398 -9.821 10.924 1.00 0.00 C ATOM 791 C LYS A 54 -6.877 -10.056 10.614 1.00 0.00 C ATOM 792 O LYS A 54 -7.286 -10.064 9.472 1.00 0.00 O ATOM 793 CB LYS A 54 -4.994 -8.385 10.585 1.00 0.00 C ATOM 794 CG LYS A 54 -5.157 -7.505 11.825 1.00 0.00 C ATOM 795 CD LYS A 54 -6.639 -7.407 12.191 1.00 0.00 C ATOM 796 CE LYS A 54 -6.959 -5.982 12.643 1.00 0.00 C ATOM 797 NZ LYS A 54 -8.369 -5.753 12.215 1.00 0.00 N ATOM 0 H LYS A 54 -4.651 -10.502 9.043 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.251 -10.036 11.982 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.960 -8.358 10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.612 -8.004 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.593 -7.924 12.658 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.752 -6.511 11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.255 -7.675 11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.876 -8.114 12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.851 -5.876 13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.284 -5.260 12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.399 -4.982 11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.747 -6.622 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.945 -5.495 13.042 1.00 0.00 H new ATOM 811 N SER A 55 -7.680 -10.262 11.619 1.00 0.00 N ATOM 812 CA SER A 55 -9.126 -10.513 11.364 1.00 0.00 C ATOM 813 C SER A 55 -9.768 -9.324 10.659 1.00 0.00 C ATOM 814 O SER A 55 -9.147 -8.306 10.428 1.00 0.00 O ATOM 815 CB SER A 55 -9.761 -10.709 12.737 1.00 0.00 C ATOM 816 OG SER A 55 -9.568 -9.541 13.521 1.00 0.00 O ATOM 0 H SER A 55 -7.401 -10.268 12.600 1.00 0.00 H new ATOM 0 HA SER A 55 -9.267 -11.381 10.720 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.826 -10.916 12.630 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.317 -11.571 13.235 1.00 0.00 H new ATOM 0 HG SER A 55 -9.978 -9.667 14.402 1.00 0.00 H new ATOM 822 N ILE A 56 -11.017 -9.460 10.330 1.00 0.00 N ATOM 823 CA ILE A 56 -11.755 -8.357 9.639 1.00 0.00 C ATOM 824 C ILE A 56 -13.264 -8.550 9.824 1.00 0.00 C ATOM 825 O ILE A 56 -13.911 -9.239 9.062 1.00 0.00 O ATOM 826 CB ILE A 56 -11.379 -8.454 8.151 1.00 0.00 C ATOM 827 CG1 ILE A 56 -11.438 -9.911 7.683 1.00 0.00 C ATOM 828 CG2 ILE A 56 -9.964 -7.913 7.938 1.00 0.00 C ATOM 829 CD1 ILE A 56 -11.384 -9.958 6.154 1.00 0.00 C ATOM 0 H ILE A 56 -11.571 -10.297 10.510 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.494 -7.380 10.045 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.089 -7.863 7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.605 -10.474 8.104 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.354 -10.382 8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.702 -7.984 6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.922 -6.870 8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.258 -8.499 8.527 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.426 -10.995 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -12.232 -9.410 5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.456 -9.503 5.809 1.00 0.00 H new ATOM 841 N LYS A 57 -13.824 -7.949 10.838 1.00 0.00 N ATOM 842 CA LYS A 57 -15.287 -8.099 11.086 1.00 0.00 C ATOM 843 C LYS A 57 -15.998 -6.756 10.898 1.00 0.00 C ATOM 844 O LYS A 57 -16.448 -6.142 11.845 1.00 0.00 O ATOM 845 CB LYS A 57 -15.395 -8.560 12.541 1.00 0.00 C ATOM 846 CG LYS A 57 -14.668 -7.566 13.450 1.00 0.00 C ATOM 847 CD LYS A 57 -15.525 -7.285 14.685 1.00 0.00 C ATOM 848 CE LYS A 57 -15.226 -5.879 15.209 1.00 0.00 C ATOM 849 NZ LYS A 57 -16.458 -5.479 15.946 1.00 0.00 N ATOM 0 H LYS A 57 -13.330 -7.359 11.508 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.752 -8.804 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.443 -8.636 12.832 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.961 -9.554 12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.701 -7.970 13.749 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.473 -6.639 12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.582 -7.373 14.434 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.318 -8.024 15.459 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.355 -5.878 15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.012 -5.189 14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.334 -4.523 16.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.269 -5.484 15.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.632 -6.150 16.721 1.00 0.00 H new ATOM 863 N LYS A 58 -16.103 -6.296 9.682 1.00 0.00 N ATOM 864 CA LYS A 58 -16.787 -4.994 9.434 1.00 0.00 C ATOM 865 C LYS A 58 -17.860 -5.158 8.356 1.00 0.00 C ATOM 866 O LYS A 58 -17.684 -4.754 7.224 1.00 0.00 O ATOM 867 CB LYS A 58 -15.682 -4.052 8.956 1.00 0.00 C ATOM 868 CG LYS A 58 -15.944 -2.644 9.496 1.00 0.00 C ATOM 869 CD LYS A 58 -14.672 -1.805 9.365 1.00 0.00 C ATOM 870 CE LYS A 58 -14.610 -1.190 7.966 1.00 0.00 C ATOM 871 NZ LYS A 58 -13.399 -0.322 7.981 1.00 0.00 N ATOM 0 H LYS A 58 -15.745 -6.764 8.849 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.289 -4.614 10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.711 -4.410 9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.649 -4.035 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.760 -2.177 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.254 -2.695 10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.662 -1.019 10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.794 -2.426 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.534 -1.961 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.508 -0.611 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.288 0.136 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.503 0.406 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.559 -0.901 8.183 1.00 0.00 H new ATOM 885 N VAL A 59 -18.971 -5.751 8.698 1.00 0.00 N ATOM 886 CA VAL A 59 -20.056 -5.944 7.694 1.00 0.00 C ATOM 887 C VAL A 59 -20.910 -4.676 7.585 1.00 0.00 C ATOM 888 O VAL A 59 -21.504 -4.231 8.547 1.00 0.00 O ATOM 889 CB VAL A 59 -20.888 -7.109 8.234 1.00 0.00 C ATOM 890 CG1 VAL A 59 -22.049 -7.394 7.280 1.00 0.00 C ATOM 891 CG2 VAL A 59 -20.006 -8.354 8.348 1.00 0.00 C ATOM 0 H VAL A 59 -19.175 -6.111 9.631 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.666 -6.148 6.697 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.281 -6.849 9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -22.641 -8.224 7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -22.678 -6.507 7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -21.657 -7.654 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.597 -9.185 8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.613 -8.613 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.178 -8.152 9.028 1.00 0.00 H new ATOM 901 N ILE A 60 -20.976 -4.094 6.418 1.00 0.00 N ATOM 902 CA ILE A 60 -21.790 -2.855 6.245 1.00 0.00 C ATOM 903 C ILE A 60 -22.173 -2.674 4.774 1.00 0.00 C ATOM 904 O ILE A 60 -21.697 -1.777 4.105 1.00 0.00 O ATOM 905 CB ILE A 60 -20.880 -1.715 6.702 1.00 0.00 C ATOM 906 CG1 ILE A 60 -21.583 -0.375 6.470 1.00 0.00 C ATOM 907 CG2 ILE A 60 -19.575 -1.750 5.901 1.00 0.00 C ATOM 908 CD1 ILE A 60 -21.572 0.439 7.766 1.00 0.00 C ATOM 0 H ILE A 60 -20.502 -4.422 5.577 1.00 0.00 H new ATOM 0 HA ILE A 60 -22.719 -2.890 6.814 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.659 -1.831 7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.081 0.178 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -22.609 -0.543 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -18.926 -0.937 6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -19.073 -2.703 6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -19.796 -1.635 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -22.073 1.393 7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -22.094 -0.114 8.547 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.542 0.618 8.074 1.00 0.00 H new ATOM 920 N ALA A 61 -23.029 -3.516 4.265 1.00 0.00 N ATOM 921 CA ALA A 61 -23.439 -3.386 2.837 1.00 0.00 C ATOM 922 C ALA A 61 -24.326 -2.152 2.652 1.00 0.00 C ATOM 923 O ALA A 61 -24.755 -1.535 3.607 1.00 0.00 O ATOM 924 CB ALA A 61 -24.221 -4.663 2.531 1.00 0.00 C ATOM 0 H ALA A 61 -23.462 -4.287 4.774 1.00 0.00 H new ATOM 0 HA ALA A 61 -22.585 -3.264 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -24.558 -4.644 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -23.578 -5.529 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -25.085 -4.728 3.193 1.00 0.00 H new ATOM 930 N GLY A 62 -24.604 -1.789 1.430 1.00 0.00 N ATOM 931 CA GLY A 62 -25.462 -0.596 1.183 1.00 0.00 C ATOM 932 C GLY A 62 -24.957 0.144 -0.058 1.00 0.00 C ATOM 933 O GLY A 62 -25.691 0.868 -0.701 1.00 0.00 O ATOM 0 H GLY A 62 -24.274 -2.267 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -26.498 -0.903 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -25.441 0.066 2.049 1.00 0.00 H new ATOM 937 N PHE A 63 -23.710 -0.033 -0.401 1.00 0.00 N ATOM 938 CA PHE A 63 -23.160 0.660 -1.601 1.00 0.00 C ATOM 939 C PHE A 63 -23.647 -0.026 -2.880 1.00 0.00 C ATOM 940 O PHE A 63 -24.367 -1.004 -2.835 1.00 0.00 O ATOM 941 CB PHE A 63 -21.642 0.530 -1.469 1.00 0.00 C ATOM 942 CG PHE A 63 -20.976 1.728 -2.103 1.00 0.00 C ATOM 943 CD1 PHE A 63 -21.146 2.999 -1.542 1.00 0.00 C ATOM 944 CD2 PHE A 63 -20.191 1.567 -3.250 1.00 0.00 C ATOM 945 CE1 PHE A 63 -20.530 4.110 -2.131 1.00 0.00 C ATOM 946 CE2 PHE A 63 -19.575 2.678 -3.839 1.00 0.00 C ATOM 947 CZ PHE A 63 -19.745 3.950 -3.279 1.00 0.00 C ATOM 0 H PHE A 63 -23.048 -0.628 0.098 1.00 0.00 H new ATOM 0 HA PHE A 63 -23.479 1.701 -1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -21.363 0.459 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -21.302 -0.386 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -21.751 3.123 -0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -20.060 0.585 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -20.661 5.091 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -18.969 2.554 -4.724 1.00 0.00 H new ATOM 0 HZ PHE A 63 -19.271 4.808 -3.733 1.00 0.00 H new ATOM 957 N ALA A 64 -23.260 0.479 -4.020 1.00 0.00 N ATOM 958 CA ALA A 64 -23.701 -0.145 -5.301 1.00 0.00 C ATOM 959 C ALA A 64 -22.491 -0.418 -6.199 1.00 0.00 C ATOM 960 O ALA A 64 -21.464 0.223 -6.085 1.00 0.00 O ATOM 961 CB ALA A 64 -24.628 0.886 -5.947 1.00 0.00 C ATOM 0 H ALA A 64 -22.658 1.296 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.202 -1.100 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -24.995 0.500 -6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -25.471 1.082 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.079 1.812 -6.119 1.00 0.00 H new ATOM 967 N GLU A 65 -22.604 -1.362 -7.094 1.00 0.00 N ATOM 968 CA GLU A 65 -21.459 -1.673 -7.998 1.00 0.00 C ATOM 969 C GLU A 65 -21.579 -0.871 -9.297 1.00 0.00 C ATOM 970 O GLU A 65 -22.664 -0.578 -9.759 1.00 0.00 O ATOM 971 CB GLU A 65 -21.574 -3.173 -8.279 1.00 0.00 C ATOM 972 CG GLU A 65 -20.312 -3.656 -8.994 1.00 0.00 C ATOM 973 CD GLU A 65 -19.346 -4.262 -7.973 1.00 0.00 C ATOM 974 OE1 GLU A 65 -19.815 -4.949 -7.080 1.00 0.00 O ATOM 975 OE2 GLU A 65 -18.157 -4.029 -8.102 1.00 0.00 O ATOM 0 H GLU A 65 -23.438 -1.931 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 65 -20.498 -1.414 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -21.708 -3.719 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -22.452 -3.372 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.571 -4.397 -9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.835 -2.825 -9.513 1.00 0.00 H new ATOM 982 N ASN A 66 -20.472 -0.509 -9.886 1.00 0.00 N ATOM 983 CA ASN A 66 -20.524 0.277 -11.153 1.00 0.00 C ATOM 984 C ASN A 66 -20.234 -0.626 -12.355 1.00 0.00 C ATOM 985 O ASN A 66 -21.080 -0.835 -13.202 1.00 0.00 O ATOM 986 CB ASN A 66 -19.434 1.339 -11.004 1.00 0.00 C ATOM 987 CG ASN A 66 -20.073 2.729 -11.022 1.00 0.00 C ATOM 988 OD1 ASN A 66 -20.732 3.095 -11.974 1.00 0.00 O ATOM 989 ND2 ASN A 66 -19.906 3.523 -10.000 1.00 0.00 N ATOM 0 H ASN A 66 -19.535 -0.723 -9.546 1.00 0.00 H new ATOM 0 HA ASN A 66 -21.506 0.719 -11.322 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.890 1.189 -10.072 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -18.710 1.249 -11.814 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -20.329 4.451 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.352 3.215 -9.200 1.00 0.00 H new ATOM 996 N GLN A 67 -19.047 -1.162 -12.438 1.00 0.00 N ATOM 997 CA GLN A 67 -18.710 -2.049 -13.589 1.00 0.00 C ATOM 998 C GLN A 67 -17.881 -3.246 -13.116 1.00 0.00 C ATOM 999 O GLN A 67 -18.195 -4.383 -13.407 1.00 0.00 O ATOM 1000 CB GLN A 67 -17.895 -1.172 -14.540 1.00 0.00 C ATOM 1001 CG GLN A 67 -18.762 -0.013 -15.036 1.00 0.00 C ATOM 1002 CD GLN A 67 -17.967 0.828 -16.037 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -16.849 1.219 -15.766 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -18.500 1.125 -17.190 1.00 0.00 N ATOM 0 H GLN A 67 -18.297 -1.025 -11.760 1.00 0.00 H new ATOM 0 HA GLN A 67 -19.600 -2.454 -14.070 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.012 -0.787 -14.030 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.542 -1.764 -15.385 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -19.667 -0.397 -15.506 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -19.077 0.605 -14.195 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.439 0.797 -17.418 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.978 1.685 -17.864 1.00 0.00 H new ATOM 1013 N LYS A 68 -16.824 -3.002 -12.392 1.00 0.00 N ATOM 1014 CA LYS A 68 -15.978 -4.130 -11.905 1.00 0.00 C ATOM 1015 C LYS A 68 -15.041 -3.649 -10.793 1.00 0.00 C ATOM 1016 O LYS A 68 -14.605 -2.515 -10.784 1.00 0.00 O ATOM 1017 CB LYS A 68 -15.174 -4.577 -13.126 1.00 0.00 C ATOM 1018 CG LYS A 68 -15.856 -5.786 -13.772 1.00 0.00 C ATOM 1019 CD LYS A 68 -14.868 -6.954 -13.847 1.00 0.00 C ATOM 1020 CE LYS A 68 -15.498 -8.195 -13.211 1.00 0.00 C ATOM 1021 NZ LYS A 68 -15.166 -8.090 -11.762 1.00 0.00 N ATOM 0 H LYS A 68 -16.509 -2.072 -12.116 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.574 -4.942 -11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -15.100 -3.761 -13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.157 -4.835 -12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.733 -6.075 -13.192 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.206 -5.528 -14.771 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.606 -7.157 -14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.944 -6.696 -13.330 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.576 -8.217 -13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.094 -9.110 -13.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.564 -8.906 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.133 -8.078 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.569 -7.212 -11.376 1.00 0.00 H new ATOM 1035 N TYR A 69 -14.728 -4.503 -9.858 1.00 0.00 N ATOM 1036 CA TYR A 69 -13.818 -4.093 -8.749 1.00 0.00 C ATOM 1037 C TYR A 69 -12.479 -3.613 -9.313 1.00 0.00 C ATOM 1038 O TYR A 69 -11.600 -4.400 -9.606 1.00 0.00 O ATOM 1039 CB TYR A 69 -13.622 -5.355 -7.909 1.00 0.00 C ATOM 1040 CG TYR A 69 -14.910 -5.690 -7.196 1.00 0.00 C ATOM 1041 CD1 TYR A 69 -15.568 -4.711 -6.444 1.00 0.00 C ATOM 1042 CD2 TYR A 69 -15.445 -6.981 -7.288 1.00 0.00 C ATOM 1043 CE1 TYR A 69 -16.762 -5.021 -5.782 1.00 0.00 C ATOM 1044 CE2 TYR A 69 -16.640 -7.291 -6.626 1.00 0.00 C ATOM 1045 CZ TYR A 69 -17.298 -6.311 -5.873 1.00 0.00 C ATOM 1046 OH TYR A 69 -18.476 -6.616 -5.222 1.00 0.00 O ATOM 0 H TYR A 69 -15.062 -5.466 -9.813 1.00 0.00 H new ATOM 0 HA TYR A 69 -14.229 -3.272 -8.162 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -13.320 -6.186 -8.547 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -12.822 -5.202 -7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.155 -3.716 -6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -14.937 -7.737 -7.869 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -17.270 -4.265 -5.201 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -17.054 -8.286 -6.696 1.00 0.00 H new ATOM 0 HH TYR A 69 -19.220 -6.151 -5.658 1.00 0.00 H new ATOM 1056 N GLY A 70 -12.316 -2.328 -9.469 1.00 0.00 N ATOM 1057 CA GLY A 70 -11.033 -1.802 -10.014 1.00 0.00 C ATOM 1058 C GLY A 70 -10.843 -0.353 -9.560 1.00 0.00 C ATOM 1059 O GLY A 70 -11.780 0.418 -9.695 1.00 0.00 O ATOM 1060 OXT GLY A 70 -9.764 -0.038 -9.085 1.00 0.00 O ATOM 0 H GLY A 70 -13.015 -1.620 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.200 -2.415 -9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.039 -1.856 -11.103 1.00 0.00 H new TER 1064 GLY A 70 HETATM 1065 ZN ZN A 71 0.192 -13.681 3.057 1.00 0.00 ZN