USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 449 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 24 ASN : amide:sc= 1.01 K(o=-16,f=-28!) USER MOD Set 1.2: A 26 CYS SG : rot 8:sc= 0.937 USER MOD Set 1.3: A 28 HIS : no HE2:sc= -12.3! C(o=-16!,f=-20!) USER MOD Set 1.4: A 46 CYS SG : rot -154:sc= -4.97! USER MOD Set 1.5: A 49 CYS SG : rot 6:sc= -0.521 USER MOD Set 2.1: A 6 CYS SG : rot 76:sc= -7.96! USER MOD Set 2.2: A 9 CYS SG : rot -154:sc= -2.91! USER MOD Set 2.3: A 31 CYS SG : rot -93:sc= -12.8! USER MOD Set 2.4: A 33 SER OG : rot -150:sc= -4.83! USER MOD Set 2.5: A 34 CYS SG : rot 18:sc= -6.86! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -57:sc= 0.567 USER MOD Single : A 12 THR OG1 : rot 120:sc= -2.49 USER MOD Single : A 13 LYS NZ :NH3+ 142:sc= -7.39! (180deg=-14!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.288 K(o=-0.29,f=-3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -94:sc= -0.2 (180deg=-1.2!) USER MOD Single : A 22 MET CE :methyl -112:sc= -3.07! (180deg=-10.6!) USER MOD Single : A 29 THR OG1 : rot 56:sc= 0.692 USER MOD Single : A 45 ASN : amide:sc= -0.922 X(o=-0.92,f=-1.3) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= -2.65! (180deg=-6.65!) USER MOD Single : A 56 SER OG : rot -68:sc= 0.998 USER MOD Single : A 57 ASN : amide:sc= -19.8! C(o=-20!,f=-31!) USER MOD Single : A 61 GLN : amide:sc= -2.73 K(o=-2.7,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 -9.246 -6.226 -2.227 1.00 0.00 N ATOM 62 CA GLY A 5 -9.321 -4.847 -1.664 1.00 0.00 C ATOM 63 C GLY A 5 -8.087 -4.549 -0.814 1.00 0.00 C ATOM 64 O GLY A 5 -7.556 -5.416 -0.149 1.00 0.00 O ATOM 0 HA2 GLY A 5 -9.396 -4.121 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.221 -4.744 -1.058 1.00 0.00 H new ATOM 68 N CYS A 6 -7.636 -3.319 -0.843 1.00 0.00 N ATOM 69 CA CYS A 6 -6.441 -2.910 -0.051 1.00 0.00 C ATOM 70 C CYS A 6 -6.286 -3.749 1.231 1.00 0.00 C ATOM 71 O CYS A 6 -7.259 -4.109 1.863 1.00 0.00 O ATOM 72 CB CYS A 6 -6.726 -1.444 0.297 1.00 0.00 C ATOM 73 SG CYS A 6 -5.919 -1.003 1.857 1.00 0.00 S ATOM 0 H CYS A 6 -8.056 -2.570 -1.393 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.513 -3.053 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.366 -0.796 -0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.801 -1.284 0.377 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.643 -0.853 1.658 1.00 0.00 H new ATOM 78 N PRO A 7 -5.049 -4.000 1.578 1.00 0.00 N ATOM 79 CA PRO A 7 -4.727 -4.761 2.803 1.00 0.00 C ATOM 80 C PRO A 7 -4.548 -3.816 4.006 1.00 0.00 C ATOM 81 O PRO A 7 -5.082 -4.045 5.073 1.00 0.00 O ATOM 82 CB PRO A 7 -3.396 -5.415 2.454 1.00 0.00 C ATOM 83 CG PRO A 7 -2.770 -4.532 1.411 1.00 0.00 C ATOM 84 CD PRO A 7 -3.838 -3.618 0.855 1.00 0.00 C ATOM 0 HA PRO A 7 -5.508 -5.468 3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.757 -5.496 3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.544 -6.426 2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.960 -3.947 1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.335 -5.136 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.590 -2.569 1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.957 -3.752 -0.220 1.00 0.00 H new ATOM 92 N ARG A 8 -3.776 -2.768 3.844 1.00 0.00 N ATOM 93 CA ARG A 8 -3.529 -1.816 4.977 1.00 0.00 C ATOM 94 C ARG A 8 -4.739 -0.899 5.215 1.00 0.00 C ATOM 95 O ARG A 8 -5.432 -1.020 6.205 1.00 0.00 O ATOM 96 CB ARG A 8 -2.312 -0.994 4.534 1.00 0.00 C ATOM 97 CG ARG A 8 -1.443 -0.645 5.741 1.00 0.00 C ATOM 98 CD ARG A 8 0.027 -0.652 5.319 1.00 0.00 C ATOM 99 NE ARG A 8 0.653 0.459 6.086 1.00 0.00 N ATOM 100 CZ ARG A 8 0.521 0.512 7.384 1.00 0.00 C ATOM 101 NH1 ARG A 8 1.310 -0.193 8.149 1.00 0.00 N ATOM 102 NH2 ARG A 8 -0.400 1.268 7.916 1.00 0.00 N ATOM 0 H ARG A 8 -3.304 -2.529 2.972 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.361 -2.342 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.728 -1.559 3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.642 -0.081 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.717 0.335 6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.607 -1.365 6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.500 -1.607 5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.130 -0.497 4.245 1.00 0.00 H new ATOM 0 HE ARG A 8 1.185 1.179 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.029 -0.785 7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.207 -0.152 9.163 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.017 1.818 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.503 1.309 8.930 1.00 0.00 H new ATOM 116 N CYS A 9 -4.997 0.013 4.317 1.00 0.00 N ATOM 117 CA CYS A 9 -6.173 0.935 4.504 1.00 0.00 C ATOM 118 C CYS A 9 -7.418 0.358 3.832 1.00 0.00 C ATOM 119 O CYS A 9 -7.871 0.879 2.839 1.00 0.00 O ATOM 120 CB CYS A 9 -5.846 2.303 3.850 1.00 0.00 C ATOM 121 SG CYS A 9 -4.321 2.308 2.845 1.00 0.00 S ATOM 0 H CYS A 9 -4.455 0.165 3.467 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.364 1.052 5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.684 2.601 3.220 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.753 3.055 4.634 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.834 3.512 2.802 1.00 0.00 H new ATOM 126 N LYS A 10 -7.952 -0.726 4.335 1.00 0.00 N ATOM 127 CA LYS A 10 -9.151 -1.340 3.679 1.00 0.00 C ATOM 128 C LYS A 10 -10.187 -0.263 3.304 1.00 0.00 C ATOM 129 O LYS A 10 -11.103 0.038 4.038 1.00 0.00 O ATOM 130 CB LYS A 10 -9.699 -2.352 4.699 1.00 0.00 C ATOM 131 CG LYS A 10 -10.592 -1.655 5.724 1.00 0.00 C ATOM 132 CD LYS A 10 -10.581 -2.443 7.035 1.00 0.00 C ATOM 133 CE LYS A 10 -11.905 -3.193 7.191 1.00 0.00 C ATOM 134 NZ LYS A 10 -11.653 -4.540 6.608 1.00 0.00 N ATOM 0 H LYS A 10 -7.614 -1.211 5.166 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.901 -1.834 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.266 -3.126 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.872 -2.848 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.240 -0.638 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.610 -1.579 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.749 -3.147 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.433 -1.767 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.198 -3.264 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.713 -2.681 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.516 -5.115 6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.383 -4.441 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.884 -5.006 7.130 1.00 0.00 H new ATOM 148 N THR A 11 -10.029 0.321 2.147 1.00 0.00 N ATOM 149 CA THR A 11 -10.969 1.384 1.688 1.00 0.00 C ATOM 150 C THR A 11 -10.447 1.961 0.375 1.00 0.00 C ATOM 151 O THR A 11 -10.349 3.160 0.207 1.00 0.00 O ATOM 152 CB THR A 11 -10.912 2.461 2.765 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.815 3.508 2.436 1.00 0.00 O ATOM 154 CG2 THR A 11 -9.490 3.005 2.817 1.00 0.00 C ATOM 0 H THR A 11 -9.278 0.104 1.492 1.00 0.00 H new ATOM 0 HA THR A 11 -11.981 1.011 1.533 1.00 0.00 H new ATOM 0 HB THR A 11 -11.191 2.046 3.734 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.592 3.867 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.424 3.779 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.800 2.197 3.058 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.227 3.429 1.848 1.00 0.00 H new ATOM 162 N THR A 12 -10.070 1.120 -0.545 1.00 0.00 N ATOM 163 CA THR A 12 -9.508 1.633 -1.824 1.00 0.00 C ATOM 164 C THR A 12 -10.288 1.107 -3.027 1.00 0.00 C ATOM 165 O THR A 12 -11.486 1.242 -3.096 1.00 0.00 O ATOM 166 CB THR A 12 -8.077 1.129 -1.806 1.00 0.00 C ATOM 167 OG1 THR A 12 -8.068 -0.292 -1.766 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.414 1.691 -0.559 1.00 0.00 C ATOM 0 H THR A 12 -10.126 0.104 -0.468 1.00 0.00 H new ATOM 0 HA THR A 12 -9.566 2.718 -1.913 1.00 0.00 H new ATOM 0 HB THR A 12 -7.542 1.447 -2.701 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.603 -0.639 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.380 1.349 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.435 2.780 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.951 1.347 0.325 1.00 0.00 H new ATOM 176 N LYS A 13 -9.632 0.516 -3.986 1.00 0.00 N ATOM 177 CA LYS A 13 -10.380 0.016 -5.165 1.00 0.00 C ATOM 178 C LYS A 13 -11.637 -0.722 -4.685 1.00 0.00 C ATOM 179 O LYS A 13 -12.629 -0.793 -5.382 1.00 0.00 O ATOM 180 CB LYS A 13 -9.374 -0.872 -5.920 1.00 0.00 C ATOM 181 CG LYS A 13 -9.740 -2.357 -5.829 1.00 0.00 C ATOM 182 CD LYS A 13 -9.177 -2.924 -4.526 1.00 0.00 C ATOM 183 CE LYS A 13 -8.802 -4.398 -4.713 1.00 0.00 C ATOM 184 NZ LYS A 13 -8.009 -4.448 -5.975 1.00 0.00 N ATOM 0 H LYS A 13 -8.624 0.360 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.746 0.796 -5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.338 -0.571 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.376 -0.719 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.822 -2.481 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.334 -2.899 -6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.300 -2.353 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.914 -2.826 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.219 -4.765 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.692 -5.024 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.234 -5.134 -5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.625 -4.738 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.613 -3.507 -6.174 1.00 0.00 H new ATOM 198 N TYR A 14 -11.619 -1.228 -3.478 1.00 0.00 N ATOM 199 CA TYR A 14 -12.832 -1.903 -2.945 1.00 0.00 C ATOM 200 C TYR A 14 -13.838 -0.827 -2.526 1.00 0.00 C ATOM 201 O TYR A 14 -14.982 -0.833 -2.933 1.00 0.00 O ATOM 202 CB TYR A 14 -12.353 -2.737 -1.752 1.00 0.00 C ATOM 203 CG TYR A 14 -13.342 -3.851 -1.479 1.00 0.00 C ATOM 204 CD1 TYR A 14 -14.661 -3.754 -1.943 1.00 0.00 C ATOM 205 CD2 TYR A 14 -12.938 -4.984 -0.761 1.00 0.00 C ATOM 206 CE1 TYR A 14 -15.571 -4.787 -1.690 1.00 0.00 C ATOM 207 CE2 TYR A 14 -13.849 -6.016 -0.508 1.00 0.00 C ATOM 208 CZ TYR A 14 -15.165 -5.917 -0.972 1.00 0.00 C ATOM 209 OH TYR A 14 -16.063 -6.935 -0.724 1.00 0.00 O ATOM 0 H TYR A 14 -10.820 -1.201 -2.845 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.327 -2.546 -3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.368 -3.155 -1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.251 -2.104 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -14.975 -2.881 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.922 -5.061 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -16.587 -4.712 -2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -13.536 -6.889 0.046 1.00 0.00 H new ATOM 0 HH TYR A 14 -15.620 -7.645 -0.215 1.00 0.00 H new ATOM 219 N ARG A 15 -13.398 0.118 -1.747 1.00 0.00 N ATOM 220 CA ARG A 15 -14.289 1.236 -1.322 1.00 0.00 C ATOM 221 C ARG A 15 -14.159 2.365 -2.342 1.00 0.00 C ATOM 222 O ARG A 15 -15.085 2.721 -3.040 1.00 0.00 O ATOM 223 CB ARG A 15 -13.738 1.674 0.031 1.00 0.00 C ATOM 224 CG ARG A 15 -14.298 0.782 1.143 1.00 0.00 C ATOM 225 CD ARG A 15 -14.101 -0.693 0.779 1.00 0.00 C ATOM 226 NE ARG A 15 -12.630 -0.923 0.814 1.00 0.00 N ATOM 227 CZ ARG A 15 -12.104 -1.605 1.794 1.00 0.00 C ATOM 228 NH1 ARG A 15 -12.710 -1.663 2.948 1.00 0.00 N ATOM 229 NH2 ARG A 15 -10.973 -2.230 1.618 1.00 0.00 N ATOM 0 H ARG A 15 -12.447 0.166 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.341 0.957 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.649 1.619 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.003 2.714 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.797 1.003 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.358 0.991 1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -14.616 -1.343 1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.508 -0.910 -0.208 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.036 -0.549 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.595 -1.175 3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.298 -2.196 3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.501 -2.185 0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.561 -2.764 2.383 1.00 0.00 H new ATOM 243 N ASN A 16 -12.971 2.895 -2.435 1.00 0.00 N ATOM 244 CA ASN A 16 -12.667 3.977 -3.408 1.00 0.00 C ATOM 245 C ASN A 16 -12.676 3.410 -4.830 1.00 0.00 C ATOM 246 O ASN A 16 -11.806 2.643 -5.194 1.00 0.00 O ATOM 247 CB ASN A 16 -11.255 4.421 -3.010 1.00 0.00 C ATOM 248 CG ASN A 16 -11.283 5.843 -2.453 1.00 0.00 C ATOM 249 OD1 ASN A 16 -12.334 6.431 -2.294 1.00 0.00 O ATOM 250 ND2 ASN A 16 -10.154 6.421 -2.147 1.00 0.00 N ATOM 0 H ASN A 16 -12.177 2.613 -1.860 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.387 4.796 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.849 3.739 -2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.595 4.375 -3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.152 7.370 -1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.274 5.924 -2.282 1.00 0.00 H new ATOM 257 N PRO A 17 -13.666 3.799 -5.589 1.00 0.00 N ATOM 258 CA PRO A 17 -13.791 3.316 -6.984 1.00 0.00 C ATOM 259 C PRO A 17 -12.898 4.126 -7.934 1.00 0.00 C ATOM 260 O PRO A 17 -13.214 4.306 -9.093 1.00 0.00 O ATOM 261 CB PRO A 17 -15.263 3.547 -7.303 1.00 0.00 C ATOM 262 CG PRO A 17 -15.705 4.656 -6.393 1.00 0.00 C ATOM 263 CD PRO A 17 -14.750 4.712 -5.221 1.00 0.00 C ATOM 0 HA PRO A 17 -13.481 2.278 -7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.399 3.821 -8.349 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.848 2.643 -7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.709 5.607 -6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.723 4.481 -6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.379 5.724 -5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -15.236 4.399 -4.297 1.00 0.00 H new ATOM 271 N SER A 18 -11.785 4.608 -7.455 1.00 0.00 N ATOM 272 CA SER A 18 -10.866 5.396 -8.324 1.00 0.00 C ATOM 273 C SER A 18 -9.437 5.238 -7.807 1.00 0.00 C ATOM 274 O SER A 18 -8.629 6.141 -7.880 1.00 0.00 O ATOM 275 CB SER A 18 -11.333 6.845 -8.192 1.00 0.00 C ATOM 276 OG SER A 18 -11.746 7.085 -6.853 1.00 0.00 O ATOM 0 H SER A 18 -11.470 4.489 -6.492 1.00 0.00 H new ATOM 0 HA SER A 18 -10.879 5.070 -9.364 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.526 7.525 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.157 7.038 -8.879 1.00 0.00 H new ATOM 0 HG SER A 18 -12.045 8.014 -6.764 1.00 0.00 H new ATOM 282 N LEU A 19 -9.135 4.090 -7.266 1.00 0.00 N ATOM 283 CA LEU A 19 -7.773 3.850 -6.716 1.00 0.00 C ATOM 284 C LEU A 19 -7.129 2.640 -7.397 1.00 0.00 C ATOM 285 O LEU A 19 -7.806 1.775 -7.919 1.00 0.00 O ATOM 286 CB LEU A 19 -8.015 3.567 -5.235 1.00 0.00 C ATOM 287 CG LEU A 19 -6.697 3.233 -4.540 1.00 0.00 C ATOM 288 CD1 LEU A 19 -6.805 3.607 -3.063 1.00 0.00 C ATOM 289 CD2 LEU A 19 -6.412 1.735 -4.673 1.00 0.00 C ATOM 0 H LEU A 19 -9.778 3.303 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.099 4.691 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.474 4.435 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.713 2.737 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.884 3.793 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.868 3.372 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.008 4.674 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.616 3.042 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.471 1.498 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.220 1.168 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.342 1.470 -5.728 1.00 0.00 H new ATOM 301 N LYS A 20 -5.827 2.569 -7.392 1.00 0.00 N ATOM 302 CA LYS A 20 -5.140 1.411 -8.035 1.00 0.00 C ATOM 303 C LYS A 20 -4.181 0.754 -7.038 1.00 0.00 C ATOM 304 O LYS A 20 -3.699 1.384 -6.118 1.00 0.00 O ATOM 305 CB LYS A 20 -4.372 1.999 -9.223 1.00 0.00 C ATOM 306 CG LYS A 20 -3.798 3.371 -8.853 1.00 0.00 C ATOM 307 CD LYS A 20 -3.071 3.964 -10.061 1.00 0.00 C ATOM 308 CE LYS A 20 -4.074 4.710 -10.944 1.00 0.00 C ATOM 309 NZ LYS A 20 -4.467 5.908 -10.151 1.00 0.00 N ATOM 0 H LYS A 20 -5.208 3.262 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.842 0.642 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.566 1.326 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.035 2.093 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.599 4.038 -8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.110 3.274 -8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.286 4.644 -9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.586 3.172 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.626 4.996 -11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.939 4.087 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.333 5.700 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.701 6.155 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.642 6.707 -10.793 1.00 0.00 H new ATOM 323 N LEU A 21 -3.910 -0.511 -7.206 1.00 0.00 N ATOM 324 CA LEU A 21 -2.993 -1.207 -6.259 1.00 0.00 C ATOM 325 C LEU A 21 -1.610 -1.380 -6.888 1.00 0.00 C ATOM 326 O LEU A 21 -1.486 -1.685 -8.057 1.00 0.00 O ATOM 327 CB LEU A 21 -3.649 -2.570 -6.011 1.00 0.00 C ATOM 328 CG LEU A 21 -4.681 -2.469 -4.878 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.474 -1.159 -4.993 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.648 -3.649 -4.975 1.00 0.00 C ATOM 0 H LEU A 21 -4.283 -1.092 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.848 -0.648 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.134 -2.919 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.887 -3.306 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.160 -2.486 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.201 -1.102 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.790 -0.313 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.994 -1.131 -5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.384 -3.583 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.158 -3.623 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.093 -4.583 -4.883 1.00 0.00 H new ATOM 342 N MET A 22 -0.564 -1.183 -6.127 1.00 0.00 N ATOM 343 CA MET A 22 0.796 -1.337 -6.704 1.00 0.00 C ATOM 344 C MET A 22 1.467 -2.590 -6.142 1.00 0.00 C ATOM 345 O MET A 22 1.356 -2.900 -4.972 1.00 0.00 O ATOM 346 CB MET A 22 1.594 -0.080 -6.304 1.00 0.00 C ATOM 347 CG MET A 22 0.699 0.990 -5.661 1.00 0.00 C ATOM 348 SD MET A 22 1.703 2.432 -5.217 1.00 0.00 S ATOM 349 CE MET A 22 0.429 3.689 -5.488 1.00 0.00 C ATOM 0 H MET A 22 -0.596 -0.925 -5.141 1.00 0.00 H new ATOM 0 HA MET A 22 0.752 -1.443 -7.788 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.384 -0.359 -5.606 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.080 0.337 -7.186 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.090 1.283 -6.353 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.211 0.586 -4.774 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.700 4.302 -6.347 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.528 3.202 -5.677 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.347 4.320 -4.603 1.00 0.00 H new ATOM 359 N VAL A 23 2.167 -3.308 -6.974 1.00 0.00 N ATOM 360 CA VAL A 23 2.859 -4.544 -6.506 1.00 0.00 C ATOM 361 C VAL A 23 4.346 -4.246 -6.293 1.00 0.00 C ATOM 362 O VAL A 23 4.813 -3.166 -6.590 1.00 0.00 O ATOM 363 CB VAL A 23 2.651 -5.557 -7.633 1.00 0.00 C ATOM 364 CG1 VAL A 23 3.716 -6.654 -7.557 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.264 -6.188 -7.496 1.00 0.00 C ATOM 0 H VAL A 23 2.291 -3.092 -7.963 1.00 0.00 H new ATOM 0 HA VAL A 23 2.473 -4.919 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 23 2.733 -5.046 -8.592 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.559 -7.370 -8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.706 -6.208 -7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.643 -7.166 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.112 -6.911 -8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.188 -6.693 -6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.503 -5.411 -7.559 1.00 0.00 H new ATOM 375 N ASN A 24 5.094 -5.181 -5.770 1.00 0.00 N ATOM 376 CA ASN A 24 6.542 -4.909 -5.537 1.00 0.00 C ATOM 377 C ASN A 24 7.397 -6.159 -5.754 1.00 0.00 C ATOM 378 O ASN A 24 6.907 -7.234 -6.031 1.00 0.00 O ATOM 379 CB ASN A 24 6.646 -4.454 -4.081 1.00 0.00 C ATOM 380 CG ASN A 24 5.714 -5.292 -3.203 1.00 0.00 C ATOM 381 OD1 ASN A 24 5.790 -6.505 -3.198 1.00 0.00 O ATOM 382 ND2 ASN A 24 4.831 -4.689 -2.456 1.00 0.00 N ATOM 0 H ASN A 24 4.771 -6.109 -5.497 1.00 0.00 H new ATOM 0 HA ASN A 24 6.910 -4.158 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.674 -4.554 -3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.383 -3.399 -4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.203 -5.236 -1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.768 -3.671 -2.461 1.00 0.00 H new ATOM 389 N VAL A 25 8.683 -5.997 -5.633 1.00 0.00 N ATOM 390 CA VAL A 25 9.636 -7.127 -5.822 1.00 0.00 C ATOM 391 C VAL A 25 9.067 -8.459 -5.304 1.00 0.00 C ATOM 392 O VAL A 25 8.935 -9.409 -6.049 1.00 0.00 O ATOM 393 CB VAL A 25 10.879 -6.714 -5.022 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.475 -6.130 -3.663 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.768 -7.933 -4.796 1.00 0.00 C ATOM 0 H VAL A 25 9.126 -5.107 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 25 9.850 -7.300 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 25 11.420 -5.956 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.369 -5.843 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.846 -5.253 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.922 -6.878 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.651 -7.639 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.214 -8.689 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.076 -8.342 -5.758 1.00 0.00 H new ATOM 405 N CYS A 26 8.749 -8.554 -4.040 1.00 0.00 N ATOM 406 CA CYS A 26 8.217 -9.845 -3.507 1.00 0.00 C ATOM 407 C CYS A 26 6.809 -10.111 -4.045 1.00 0.00 C ATOM 408 O CYS A 26 6.230 -11.152 -3.809 1.00 0.00 O ATOM 409 CB CYS A 26 8.198 -9.671 -1.990 1.00 0.00 C ATOM 410 SG CYS A 26 7.319 -8.151 -1.572 1.00 0.00 S ATOM 0 H CYS A 26 8.833 -7.801 -3.357 1.00 0.00 H new ATOM 0 HA CYS A 26 8.827 -10.696 -3.809 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.712 -10.526 -1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.217 -9.633 -1.604 1.00 0.00 H new ATOM 0 HG CYS A 26 6.777 -7.654 -2.644 1.00 0.00 H new ATOM 415 N GLY A 27 6.259 -9.181 -4.773 1.00 0.00 N ATOM 416 CA GLY A 27 4.894 -9.384 -5.336 1.00 0.00 C ATOM 417 C GLY A 27 3.846 -8.852 -4.358 1.00 0.00 C ATOM 418 O GLY A 27 3.680 -7.660 -4.196 1.00 0.00 O ATOM 0 H GLY A 27 6.695 -8.288 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.805 -8.870 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.723 -10.444 -5.526 1.00 0.00 H new ATOM 422 N HIS A 28 3.134 -9.730 -3.708 1.00 0.00 N ATOM 423 CA HIS A 28 2.091 -9.279 -2.745 1.00 0.00 C ATOM 424 C HIS A 28 1.255 -8.158 -3.371 1.00 0.00 C ATOM 425 O HIS A 28 0.862 -8.249 -4.517 1.00 0.00 O ATOM 426 CB HIS A 28 2.873 -8.816 -1.510 1.00 0.00 C ATOM 427 CG HIS A 28 3.431 -10.043 -0.840 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.713 -10.116 -0.282 1.00 0.00 N ATOM 429 CD2 HIS A 28 2.877 -11.288 -0.663 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.862 -11.373 0.187 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.778 -12.119 -0.018 1.00 0.00 N ATOM 0 H HIS A 28 3.229 -10.741 -3.802 1.00 0.00 H new ATOM 0 HA HIS A 28 1.380 -10.061 -2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.676 -8.138 -1.797 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.223 -8.269 -0.827 1.00 0.00 H new ATOM 0 HD1 HIS A 28 5.401 -9.365 -0.238 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.886 -11.576 -0.980 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.757 -11.732 0.673 1.00 0.00 H new ATOM 439 N THR A 29 0.957 -7.113 -2.650 1.00 0.00 N ATOM 440 CA THR A 29 0.124 -6.033 -3.253 1.00 0.00 C ATOM 441 C THR A 29 -0.024 -4.857 -2.280 1.00 0.00 C ATOM 442 O THR A 29 -0.139 -5.037 -1.086 1.00 0.00 O ATOM 443 CB THR A 29 -1.222 -6.722 -3.516 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.221 -7.261 -4.831 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.379 -5.727 -3.378 1.00 0.00 C ATOM 0 H THR A 29 1.248 -6.960 -1.685 1.00 0.00 H new ATOM 0 HA THR A 29 0.557 -5.609 -4.159 1.00 0.00 H new ATOM 0 HB THR A 29 -1.357 -7.517 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.457 -7.866 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.323 -6.238 -3.569 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.387 -5.316 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.252 -4.919 -4.098 1.00 0.00 H new ATOM 453 N LEU A 30 -0.020 -3.657 -2.792 1.00 0.00 N ATOM 454 CA LEU A 30 -0.152 -2.455 -1.912 1.00 0.00 C ATOM 455 C LEU A 30 -1.089 -1.433 -2.565 1.00 0.00 C ATOM 456 O LEU A 30 -0.702 -0.717 -3.464 1.00 0.00 O ATOM 457 CB LEU A 30 1.273 -1.910 -1.833 1.00 0.00 C ATOM 458 CG LEU A 30 1.421 -0.924 -0.680 1.00 0.00 C ATOM 459 CD1 LEU A 30 1.398 -1.661 0.646 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.749 -0.190 -0.812 1.00 0.00 C ATOM 0 H LEU A 30 0.069 -3.454 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.570 -2.679 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.974 -2.734 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.530 -1.418 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 30 0.594 -0.215 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.505 -0.946 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.452 -2.192 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.221 -2.375 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.858 0.516 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.567 -0.910 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.774 0.350 -1.759 1.00 0.00 H new ATOM 472 N CYS A 31 -2.321 -1.361 -2.131 1.00 0.00 N ATOM 473 CA CYS A 31 -3.261 -0.382 -2.751 1.00 0.00 C ATOM 474 C CYS A 31 -2.573 0.972 -2.894 1.00 0.00 C ATOM 475 O CYS A 31 -1.498 1.188 -2.371 1.00 0.00 O ATOM 476 CB CYS A 31 -4.486 -0.321 -1.813 1.00 0.00 C ATOM 477 SG CYS A 31 -4.478 1.172 -0.777 1.00 0.00 S ATOM 0 H CYS A 31 -2.713 -1.932 -1.382 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.571 -0.675 -3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.399 -0.345 -2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.498 -1.205 -1.175 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.900 0.910 0.357 1.00 0.00 H new ATOM 482 N GLU A 32 -3.182 1.892 -3.583 1.00 0.00 N ATOM 483 CA GLU A 32 -2.532 3.224 -3.720 1.00 0.00 C ATOM 484 C GLU A 32 -2.490 3.876 -2.334 1.00 0.00 C ATOM 485 O GLU A 32 -1.500 4.457 -1.931 1.00 0.00 O ATOM 486 CB GLU A 32 -3.401 4.013 -4.721 1.00 0.00 C ATOM 487 CG GLU A 32 -4.145 5.162 -4.027 1.00 0.00 C ATOM 488 CD GLU A 32 -4.979 5.929 -5.054 1.00 0.00 C ATOM 489 OE1 GLU A 32 -4.938 5.560 -6.217 1.00 0.00 O ATOM 490 OE2 GLU A 32 -5.645 6.873 -4.662 1.00 0.00 O ATOM 0 H GLU A 32 -4.083 1.786 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.506 3.180 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.772 4.412 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.120 3.342 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.790 4.769 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.432 5.833 -3.548 1.00 0.00 H new ATOM 497 N SER A 33 -3.567 3.773 -1.606 1.00 0.00 N ATOM 498 CA SER A 33 -3.616 4.369 -0.243 1.00 0.00 C ATOM 499 C SER A 33 -2.629 3.668 0.706 1.00 0.00 C ATOM 500 O SER A 33 -2.391 4.135 1.802 1.00 0.00 O ATOM 501 CB SER A 33 -5.059 4.171 0.236 1.00 0.00 C ATOM 502 OG SER A 33 -5.951 4.498 -0.819 1.00 0.00 O ATOM 0 H SER A 33 -4.421 3.298 -1.899 1.00 0.00 H new ATOM 0 HA SER A 33 -3.331 5.421 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.212 3.139 0.550 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.256 4.801 1.103 1.00 0.00 H new ATOM 0 HG SER A 33 -6.791 4.836 -0.444 1.00 0.00 H new ATOM 508 N CYS A 34 -2.034 2.565 0.308 1.00 0.00 N ATOM 509 CA CYS A 34 -1.063 1.897 1.227 1.00 0.00 C ATOM 510 C CYS A 34 0.313 2.545 1.070 1.00 0.00 C ATOM 511 O CYS A 34 0.884 3.054 2.014 1.00 0.00 O ATOM 512 CB CYS A 34 -0.981 0.434 0.797 1.00 0.00 C ATOM 513 SG CYS A 34 -2.238 -0.555 1.628 1.00 0.00 S ATOM 0 H CYS A 34 -2.176 2.109 -0.593 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.379 1.988 2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.111 0.361 -0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.008 0.039 1.027 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.158 0.228 2.109 1.00 0.00 H new ATOM 518 N VAL A 35 0.843 2.534 -0.125 1.00 0.00 N ATOM 519 CA VAL A 35 2.179 3.152 -0.361 1.00 0.00 C ATOM 520 C VAL A 35 2.269 4.486 0.395 1.00 0.00 C ATOM 521 O VAL A 35 3.339 4.935 0.754 1.00 0.00 O ATOM 522 CB VAL A 35 2.262 3.323 -1.895 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.810 4.705 -2.265 1.00 0.00 C ATOM 524 CG2 VAL A 35 3.187 2.251 -2.472 1.00 0.00 C ATOM 0 H VAL A 35 0.406 2.122 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 35 3.013 2.551 0.003 1.00 0.00 H new ATOM 0 HB VAL A 35 1.258 3.223 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.858 4.799 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.153 5.476 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.809 4.824 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.249 2.368 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.181 2.357 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.791 1.263 -2.236 1.00 0.00 H new ATOM 534 N ASP A 36 1.153 5.113 0.652 1.00 0.00 N ATOM 535 CA ASP A 36 1.178 6.403 1.399 1.00 0.00 C ATOM 536 C ASP A 36 1.476 6.141 2.883 1.00 0.00 C ATOM 537 O ASP A 36 2.420 6.662 3.429 1.00 0.00 O ATOM 538 CB ASP A 36 -0.222 7.014 1.170 1.00 0.00 C ATOM 539 CG ASP A 36 -1.061 6.997 2.454 1.00 0.00 C ATOM 540 OD1 ASP A 36 -0.612 7.561 3.438 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.135 6.418 2.429 1.00 0.00 O ATOM 0 H ASP A 36 0.226 4.788 0.377 1.00 0.00 H new ATOM 0 HA ASP A 36 1.957 7.087 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.119 8.040 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.740 6.457 0.389 1.00 0.00 H new ATOM 546 N LEU A 37 0.688 5.338 3.544 1.00 0.00 N ATOM 547 CA LEU A 37 0.954 5.070 4.986 1.00 0.00 C ATOM 548 C LEU A 37 2.099 4.073 5.141 1.00 0.00 C ATOM 549 O LEU A 37 2.879 4.146 6.066 1.00 0.00 O ATOM 550 CB LEU A 37 -0.348 4.480 5.528 1.00 0.00 C ATOM 551 CG LEU A 37 -1.258 5.610 6.009 1.00 0.00 C ATOM 552 CD1 LEU A 37 -2.444 5.754 5.054 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.773 5.287 7.413 1.00 0.00 C ATOM 0 H LEU A 37 -0.123 4.859 3.152 1.00 0.00 H new ATOM 0 HA LEU A 37 1.248 5.972 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.848 3.901 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.135 3.795 6.349 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.695 6.543 6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.092 6.560 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.079 5.984 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.007 4.821 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.422 6.092 7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.335 4.353 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.929 5.185 8.095 1.00 0.00 H new ATOM 565 N LEU A 38 2.201 3.145 4.244 1.00 0.00 N ATOM 566 CA LEU A 38 3.282 2.127 4.333 1.00 0.00 C ATOM 567 C LEU A 38 4.664 2.781 4.437 1.00 0.00 C ATOM 568 O LEU A 38 5.460 2.431 5.287 1.00 0.00 O ATOM 569 CB LEU A 38 3.174 1.335 3.028 1.00 0.00 C ATOM 570 CG LEU A 38 3.643 -0.107 3.247 1.00 0.00 C ATOM 571 CD1 LEU A 38 4.931 -0.115 4.075 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.560 -0.888 3.991 1.00 0.00 C ATOM 0 H LEU A 38 1.578 3.043 3.443 1.00 0.00 H new ATOM 0 HA LEU A 38 3.172 1.504 5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.143 1.341 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.779 1.809 2.255 1.00 0.00 H new ATOM 0 HG LEU A 38 3.833 -0.572 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.259 -1.143 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.707 0.439 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.745 0.353 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.893 -1.914 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.370 -0.418 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.643 -0.890 3.402 1.00 0.00 H new ATOM 584 N PHE A 39 4.978 3.688 3.554 1.00 0.00 N ATOM 585 CA PHE A 39 6.336 4.309 3.584 1.00 0.00 C ATOM 586 C PHE A 39 6.415 5.553 4.469 1.00 0.00 C ATOM 587 O PHE A 39 7.459 5.852 5.013 1.00 0.00 O ATOM 588 CB PHE A 39 6.649 4.644 2.126 1.00 0.00 C ATOM 589 CG PHE A 39 6.295 3.455 1.259 1.00 0.00 C ATOM 590 CD1 PHE A 39 6.251 2.169 1.817 1.00 0.00 C ATOM 591 CD2 PHE A 39 5.991 3.640 -0.092 1.00 0.00 C ATOM 592 CE1 PHE A 39 5.905 1.072 1.026 1.00 0.00 C ATOM 593 CE2 PHE A 39 5.638 2.542 -0.882 1.00 0.00 C ATOM 594 CZ PHE A 39 5.593 1.259 -0.322 1.00 0.00 C ATOM 0 H PHE A 39 4.359 4.026 2.817 1.00 0.00 H new ATOM 0 HA PHE A 39 7.061 3.624 4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.083 5.521 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.705 4.890 2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.485 2.027 2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.029 4.629 -0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.879 0.081 1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.400 2.683 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.317 0.413 -0.934 1.00 0.00 H new ATOM 604 N VAL A 40 5.358 6.295 4.622 1.00 0.00 N ATOM 605 CA VAL A 40 5.477 7.511 5.481 1.00 0.00 C ATOM 606 C VAL A 40 5.961 7.120 6.881 1.00 0.00 C ATOM 607 O VAL A 40 6.424 7.952 7.637 1.00 0.00 O ATOM 608 CB VAL A 40 4.089 8.151 5.530 1.00 0.00 C ATOM 609 CG1 VAL A 40 3.720 8.678 4.144 1.00 0.00 C ATOM 610 CG2 VAL A 40 3.061 7.126 5.989 1.00 0.00 C ATOM 0 H VAL A 40 4.442 6.125 4.206 1.00 0.00 H new ATOM 0 HA VAL A 40 6.205 8.216 5.079 1.00 0.00 H new ATOM 0 HB VAL A 40 4.099 8.980 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.731 9.134 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.452 9.423 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.714 7.854 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.075 7.589 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.046 6.288 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.325 6.766 6.983 1.00 0.00 H new ATOM 620 N ARG A 41 5.877 5.861 7.238 1.00 0.00 N ATOM 621 CA ARG A 41 6.358 5.446 8.596 1.00 0.00 C ATOM 622 C ARG A 41 7.721 4.751 8.488 1.00 0.00 C ATOM 623 O ARG A 41 8.619 5.008 9.265 1.00 0.00 O ATOM 624 CB ARG A 41 5.329 4.457 9.179 1.00 0.00 C ATOM 625 CG ARG A 41 4.070 4.383 8.315 1.00 0.00 C ATOM 626 CD ARG A 41 2.887 3.927 9.172 1.00 0.00 C ATOM 627 NE ARG A 41 2.792 2.458 8.943 1.00 0.00 N ATOM 628 CZ ARG A 41 3.835 1.698 9.136 1.00 0.00 C ATOM 629 NH1 ARG A 41 4.123 1.278 10.337 1.00 0.00 N ATOM 630 NH2 ARG A 41 4.591 1.360 8.127 1.00 0.00 N ATOM 0 H ARG A 41 5.502 5.111 6.658 1.00 0.00 H new ATOM 0 HA ARG A 41 6.465 6.322 9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.778 3.467 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.060 4.764 10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.860 5.358 7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.223 3.688 7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.052 4.153 10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.968 4.433 8.878 1.00 0.00 H new ATOM 0 HE ARG A 41 1.911 2.046 8.635 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.533 1.544 11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.938 0.684 10.488 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.366 1.690 7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.406 0.766 8.277 1.00 0.00 H new ATOM 644 N GLY A 42 7.882 3.858 7.543 1.00 0.00 N ATOM 645 CA GLY A 42 9.186 3.143 7.420 1.00 0.00 C ATOM 646 C GLY A 42 9.623 3.050 5.952 1.00 0.00 C ATOM 647 O GLY A 42 10.780 3.245 5.633 1.00 0.00 O ATOM 0 H GLY A 42 7.173 3.596 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.948 3.666 7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.097 2.142 7.841 1.00 0.00 H new ATOM 651 N ALA A 43 8.722 2.749 5.054 1.00 0.00 N ATOM 652 CA ALA A 43 9.121 2.643 3.610 1.00 0.00 C ATOM 653 C ALA A 43 10.018 1.424 3.386 1.00 0.00 C ATOM 654 O ALA A 43 11.227 1.505 3.474 1.00 0.00 O ATOM 655 CB ALA A 43 9.889 3.933 3.313 1.00 0.00 C ATOM 0 H ALA A 43 7.737 2.573 5.250 1.00 0.00 H new ATOM 0 HA ALA A 43 8.257 2.520 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.215 3.931 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.240 4.791 3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.759 3.997 3.966 1.00 0.00 H new ATOM 661 N GLY A 44 9.434 0.295 3.085 1.00 0.00 N ATOM 662 CA GLY A 44 10.250 -0.924 2.841 1.00 0.00 C ATOM 663 C GLY A 44 9.783 -2.058 3.756 1.00 0.00 C ATOM 664 O GLY A 44 10.572 -2.677 4.441 1.00 0.00 O ATOM 0 H GLY A 44 8.426 0.167 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.162 -1.228 1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.303 -0.709 3.023 1.00 0.00 H new ATOM 668 N ASN A 45 8.507 -2.339 3.776 1.00 0.00 N ATOM 669 CA ASN A 45 8.007 -3.437 4.655 1.00 0.00 C ATOM 670 C ASN A 45 6.755 -4.100 4.059 1.00 0.00 C ATOM 671 O ASN A 45 6.114 -4.911 4.694 1.00 0.00 O ATOM 672 CB ASN A 45 7.670 -2.757 5.983 1.00 0.00 C ATOM 673 CG ASN A 45 8.810 -2.985 6.978 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.824 -2.319 6.921 1.00 0.00 O ATOM 675 ND2 ASN A 45 8.686 -3.906 7.894 1.00 0.00 N ATOM 0 H ASN A 45 7.794 -1.860 3.226 1.00 0.00 H new ATOM 0 HA ASN A 45 8.747 -4.229 4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.517 -1.689 5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.739 -3.158 6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.440 -4.066 8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.835 -4.466 7.942 1.00 0.00 H new ATOM 682 N CYS A 46 6.412 -3.777 2.842 1.00 0.00 N ATOM 683 CA CYS A 46 5.207 -4.403 2.217 1.00 0.00 C ATOM 684 C CYS A 46 3.991 -4.224 3.144 1.00 0.00 C ATOM 685 O CYS A 46 4.144 -3.955 4.316 1.00 0.00 O ATOM 686 CB CYS A 46 5.592 -5.881 2.104 1.00 0.00 C ATOM 687 SG CYS A 46 4.784 -6.659 0.678 1.00 0.00 S ATOM 0 H CYS A 46 6.910 -3.109 2.253 1.00 0.00 H new ATOM 0 HA CYS A 46 4.935 -3.966 1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.674 -5.972 2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.309 -6.405 3.017 1.00 0.00 H new ATOM 0 HG CYS A 46 4.666 -7.936 0.890 1.00 0.00 H new ATOM 692 N PRO A 47 2.811 -4.392 2.607 1.00 0.00 N ATOM 693 CA PRO A 47 1.601 -4.267 3.437 1.00 0.00 C ATOM 694 C PRO A 47 1.308 -5.625 4.063 1.00 0.00 C ATOM 695 O PRO A 47 0.256 -5.861 4.623 1.00 0.00 O ATOM 696 CB PRO A 47 0.529 -3.902 2.432 1.00 0.00 C ATOM 697 CG PRO A 47 0.994 -4.466 1.123 1.00 0.00 C ATOM 698 CD PRO A 47 2.481 -4.697 1.213 1.00 0.00 C ATOM 0 HA PRO A 47 1.679 -3.540 4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.436 -4.321 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.402 -2.821 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.476 -5.400 0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.764 -3.778 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.740 -5.725 0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.026 -4.051 0.525 1.00 0.00 H new ATOM 706 N GLU A 48 2.241 -6.525 3.943 1.00 0.00 N ATOM 707 CA GLU A 48 2.053 -7.886 4.491 1.00 0.00 C ATOM 708 C GLU A 48 3.415 -8.488 4.886 1.00 0.00 C ATOM 709 O GLU A 48 3.563 -9.035 5.961 1.00 0.00 O ATOM 710 CB GLU A 48 1.384 -8.663 3.351 1.00 0.00 C ATOM 711 CG GLU A 48 2.132 -8.431 2.032 1.00 0.00 C ATOM 712 CD GLU A 48 3.223 -9.476 1.884 1.00 0.00 C ATOM 713 OE1 GLU A 48 2.904 -10.654 1.904 1.00 0.00 O ATOM 714 OE2 GLU A 48 4.360 -9.078 1.753 1.00 0.00 O ATOM 0 H GLU A 48 3.137 -6.369 3.481 1.00 0.00 H new ATOM 0 HA GLU A 48 1.446 -7.910 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.371 -9.727 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.346 -8.347 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.439 -8.490 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.566 -7.431 2.017 1.00 0.00 H new ATOM 721 N CYS A 49 4.422 -8.373 4.048 1.00 0.00 N ATOM 722 CA CYS A 49 5.761 -8.921 4.425 1.00 0.00 C ATOM 723 C CYS A 49 6.777 -7.771 4.589 1.00 0.00 C ATOM 724 O CYS A 49 7.195 -7.131 3.649 1.00 0.00 O ATOM 725 CB CYS A 49 6.168 -9.938 3.323 1.00 0.00 C ATOM 726 SG CYS A 49 7.210 -9.183 2.028 1.00 0.00 S ATOM 0 H CYS A 49 4.373 -7.929 3.131 1.00 0.00 H new ATOM 0 HA CYS A 49 5.733 -9.435 5.386 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.706 -10.768 3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.270 -10.353 2.866 1.00 0.00 H new ATOM 0 HG CYS A 49 7.499 -7.960 2.361 1.00 0.00 H new ATOM 731 N GLY A 50 7.142 -7.497 5.806 1.00 0.00 N ATOM 732 CA GLY A 50 8.107 -6.400 6.098 1.00 0.00 C ATOM 733 C GLY A 50 9.467 -6.696 5.461 1.00 0.00 C ATOM 734 O GLY A 50 10.474 -6.756 6.137 1.00 0.00 O ATOM 0 H GLY A 50 6.806 -7.996 6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.719 -5.456 5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.221 -6.286 7.176 1.00 0.00 H new ATOM 738 N THR A 51 9.516 -6.866 4.168 1.00 0.00 N ATOM 739 CA THR A 51 10.826 -7.134 3.515 1.00 0.00 C ATOM 740 C THR A 51 11.729 -5.914 3.699 1.00 0.00 C ATOM 741 O THR A 51 11.266 -4.791 3.662 1.00 0.00 O ATOM 742 CB THR A 51 10.513 -7.374 2.034 1.00 0.00 C ATOM 743 OG1 THR A 51 11.720 -7.653 1.338 1.00 0.00 O ATOM 744 CG2 THR A 51 9.851 -6.135 1.429 1.00 0.00 C ATOM 0 H THR A 51 8.712 -6.831 3.541 1.00 0.00 H new ATOM 0 HA THR A 51 11.343 -7.994 3.941 1.00 0.00 H new ATOM 0 HB THR A 51 9.831 -8.220 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.523 -7.809 0.391 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.633 -6.316 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.923 -5.922 1.960 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.524 -5.282 1.518 1.00 0.00 H new ATOM 752 N PRO A 52 12.986 -6.175 3.914 1.00 0.00 N ATOM 753 CA PRO A 52 13.961 -5.078 4.132 1.00 0.00 C ATOM 754 C PRO A 52 14.174 -4.267 2.851 1.00 0.00 C ATOM 755 O PRO A 52 15.215 -4.338 2.228 1.00 0.00 O ATOM 756 CB PRO A 52 15.236 -5.812 4.542 1.00 0.00 C ATOM 757 CG PRO A 52 15.093 -7.181 3.962 1.00 0.00 C ATOM 758 CD PRO A 52 13.620 -7.496 3.966 1.00 0.00 C ATOM 0 HA PRO A 52 13.630 -4.357 4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.123 -5.310 4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.338 -5.851 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.495 -7.217 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.647 -7.912 4.551 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.339 -8.110 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.330 -8.045 4.862 1.00 0.00 H new ATOM 766 N LEU A 53 13.203 -3.483 2.460 1.00 0.00 N ATOM 767 CA LEU A 53 13.370 -2.659 1.230 1.00 0.00 C ATOM 768 C LEU A 53 13.982 -1.306 1.609 1.00 0.00 C ATOM 769 O LEU A 53 14.348 -1.086 2.747 1.00 0.00 O ATOM 770 CB LEU A 53 11.953 -2.496 0.677 1.00 0.00 C ATOM 771 CG LEU A 53 11.703 -3.553 -0.402 1.00 0.00 C ATOM 772 CD1 LEU A 53 10.219 -3.557 -0.775 1.00 0.00 C ATOM 773 CD2 LEU A 53 12.542 -3.227 -1.639 1.00 0.00 C ATOM 0 H LEU A 53 12.307 -3.379 2.937 1.00 0.00 H new ATOM 0 HA LEU A 53 14.033 -3.111 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.223 -2.601 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.827 -1.497 0.259 1.00 0.00 H new ATOM 0 HG LEU A 53 11.984 -4.535 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.039 -4.309 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.623 -3.790 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.937 -2.575 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.364 -3.979 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.262 -2.245 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.599 -3.224 -1.371 1.00 0.00 H new ATOM 785 N ARG A 54 14.109 -0.395 0.681 1.00 0.00 N ATOM 786 CA ARG A 54 14.714 0.926 1.029 1.00 0.00 C ATOM 787 C ARG A 54 14.520 1.935 -0.106 1.00 0.00 C ATOM 788 O ARG A 54 15.427 2.663 -0.460 1.00 0.00 O ATOM 789 CB ARG A 54 16.201 0.633 1.227 1.00 0.00 C ATOM 790 CG ARG A 54 16.600 0.948 2.671 1.00 0.00 C ATOM 791 CD ARG A 54 18.108 0.740 2.838 1.00 0.00 C ATOM 792 NE ARG A 54 18.737 1.722 1.912 1.00 0.00 N ATOM 793 CZ ARG A 54 20.038 1.786 1.814 1.00 0.00 C ATOM 794 NH1 ARG A 54 20.726 0.712 1.535 1.00 0.00 N ATOM 795 NH2 ARG A 54 20.650 2.924 1.993 1.00 0.00 N ATOM 0 H ARG A 54 13.824 -0.505 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 54 14.252 1.363 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.409 -0.413 1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.795 1.232 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.334 1.976 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.054 0.303 3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.419 0.914 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.396 -0.281 2.586 1.00 0.00 H new ATOM 0 HE ARG A 54 18.152 2.344 1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.248 -0.178 1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.742 0.763 1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.113 3.764 2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.666 2.974 1.917 1.00 0.00 H new ATOM 809 N LYS A 55 13.350 1.991 -0.680 1.00 0.00 N ATOM 810 CA LYS A 55 13.117 2.960 -1.793 1.00 0.00 C ATOM 811 C LYS A 55 11.670 2.870 -2.306 1.00 0.00 C ATOM 812 O LYS A 55 11.385 3.206 -3.439 1.00 0.00 O ATOM 813 CB LYS A 55 14.137 2.558 -2.878 1.00 0.00 C ATOM 814 CG LYS A 55 13.509 1.629 -3.932 1.00 0.00 C ATOM 815 CD LYS A 55 12.740 0.489 -3.254 1.00 0.00 C ATOM 816 CE LYS A 55 13.311 -0.862 -3.690 1.00 0.00 C ATOM 817 NZ LYS A 55 13.541 -0.741 -5.157 1.00 0.00 N ATOM 0 H LYS A 55 12.548 1.412 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 55 13.249 3.996 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.522 3.454 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.986 2.058 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.836 2.199 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.288 1.218 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.807 0.588 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.683 0.547 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.240 -1.084 -3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.617 -1.672 -3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.318 -1.646 -5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.929 0.006 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.537 -0.499 -5.333 1.00 0.00 H new ATOM 831 N SER A 56 10.760 2.418 -1.483 1.00 0.00 N ATOM 832 CA SER A 56 9.339 2.302 -1.923 1.00 0.00 C ATOM 833 C SER A 56 9.266 1.792 -3.371 1.00 0.00 C ATOM 834 O SER A 56 9.120 2.557 -4.304 1.00 0.00 O ATOM 835 CB SER A 56 8.767 3.714 -1.814 1.00 0.00 C ATOM 836 OG SER A 56 7.931 3.977 -2.934 1.00 0.00 O ATOM 0 H SER A 56 10.941 2.124 -0.523 1.00 0.00 H new ATOM 0 HA SER A 56 8.778 1.593 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.198 3.816 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.576 4.443 -1.772 1.00 0.00 H new ATOM 0 HG SER A 56 8.478 4.029 -3.746 1.00 0.00 H new ATOM 842 N ASN A 57 9.363 0.504 -3.564 1.00 0.00 N ATOM 843 CA ASN A 57 9.293 -0.052 -4.951 1.00 0.00 C ATOM 844 C ASN A 57 7.919 -0.679 -5.187 1.00 0.00 C ATOM 845 O ASN A 57 7.770 -1.884 -5.199 1.00 0.00 O ATOM 846 CB ASN A 57 10.381 -1.122 -5.008 1.00 0.00 C ATOM 847 CG ASN A 57 10.175 -2.111 -3.862 1.00 0.00 C ATOM 848 OD1 ASN A 57 10.660 -1.903 -2.769 1.00 0.00 O ATOM 849 ND2 ASN A 57 9.461 -3.181 -4.068 1.00 0.00 N ATOM 0 H ASN A 57 9.487 -0.188 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 57 9.438 0.714 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.345 -1.643 -5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.366 -0.661 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.309 -3.846 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.054 -3.354 -4.987 1.00 0.00 H new ATOM 856 N PHE A 58 6.913 0.126 -5.362 1.00 0.00 N ATOM 857 CA PHE A 58 5.553 -0.429 -5.581 1.00 0.00 C ATOM 858 C PHE A 58 5.001 0.096 -6.907 1.00 0.00 C ATOM 859 O PHE A 58 4.701 1.265 -7.051 1.00 0.00 O ATOM 860 CB PHE A 58 4.734 0.041 -4.361 1.00 0.00 C ATOM 861 CG PHE A 58 5.423 -0.452 -3.102 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.701 0.012 -2.749 1.00 0.00 C ATOM 863 CD2 PHE A 58 4.791 -1.411 -2.302 1.00 0.00 C ATOM 864 CE1 PHE A 58 7.337 -0.482 -1.600 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.430 -1.907 -1.157 1.00 0.00 C ATOM 866 CZ PHE A 58 6.702 -1.444 -0.808 1.00 0.00 C ATOM 0 H PHE A 58 6.974 1.144 -5.363 1.00 0.00 H new ATOM 0 HA PHE A 58 5.528 -1.516 -5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.659 1.128 -4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.717 -0.348 -4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.195 0.750 -3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.808 -1.770 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.317 -0.119 -1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.939 -2.648 -0.544 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.194 -1.829 0.073 1.00 0.00 H new ATOM 876 N ARG A 59 4.892 -0.765 -7.883 1.00 0.00 N ATOM 877 CA ARG A 59 4.386 -0.326 -9.217 1.00 0.00 C ATOM 878 C ARG A 59 2.866 -0.380 -9.231 1.00 0.00 C ATOM 879 O ARG A 59 2.261 -1.431 -9.170 1.00 0.00 O ATOM 880 CB ARG A 59 4.975 -1.310 -10.227 1.00 0.00 C ATOM 881 CG ARG A 59 4.605 -2.749 -9.847 1.00 0.00 C ATOM 882 CD ARG A 59 5.822 -3.656 -10.047 1.00 0.00 C ATOM 883 NE ARG A 59 6.702 -3.385 -8.877 1.00 0.00 N ATOM 884 CZ ARG A 59 7.579 -2.419 -8.930 1.00 0.00 C ATOM 885 NH1 ARG A 59 8.369 -2.311 -9.964 1.00 0.00 N ATOM 886 NH2 ARG A 59 7.666 -1.561 -7.952 1.00 0.00 N ATOM 0 H ARG A 59 5.131 -1.754 -7.815 1.00 0.00 H new ATOM 0 HA ARG A 59 4.675 0.698 -9.452 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.602 -1.083 -11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.059 -1.203 -10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.274 -2.789 -8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.774 -3.097 -10.460 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.530 -4.705 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.331 -3.432 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 59 6.620 -3.954 -8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.301 -2.981 -10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.054 -1.557 -10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.049 -1.644 -7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.351 -0.807 -7.995 1.00 0.00 H new ATOM 900 N VAL A 60 2.262 0.767 -9.262 1.00 0.00 N ATOM 901 CA VAL A 60 0.777 0.852 -9.220 1.00 0.00 C ATOM 902 C VAL A 60 0.150 0.816 -10.614 1.00 0.00 C ATOM 903 O VAL A 60 0.733 1.231 -11.595 1.00 0.00 O ATOM 904 CB VAL A 60 0.516 2.184 -8.533 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.965 3.328 -9.446 1.00 0.00 C ATOM 906 CG2 VAL A 60 -0.978 2.324 -8.234 1.00 0.00 C ATOM 0 H VAL A 60 2.740 1.667 -9.316 1.00 0.00 H new ATOM 0 HA VAL A 60 0.333 0.004 -8.699 1.00 0.00 H new ATOM 0 HB VAL A 60 1.076 2.224 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.778 4.282 -8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.030 3.230 -9.654 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.407 3.287 -10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.163 3.279 -7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.541 2.281 -9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.296 1.512 -7.581 1.00 0.00 H new ATOM 916 N GLN A 61 -1.054 0.315 -10.683 1.00 0.00 N ATOM 917 CA GLN A 61 -1.781 0.223 -11.979 1.00 0.00 C ATOM 918 C GLN A 61 -3.147 -0.427 -11.734 1.00 0.00 C ATOM 919 O GLN A 61 -3.439 -0.864 -10.638 1.00 0.00 O ATOM 920 CB GLN A 61 -0.910 -0.666 -12.868 1.00 0.00 C ATOM 921 CG GLN A 61 -0.805 -2.060 -12.249 1.00 0.00 C ATOM 922 CD GLN A 61 0.611 -2.272 -11.709 1.00 0.00 C ATOM 923 OE1 GLN A 61 1.400 -1.350 -11.663 1.00 0.00 O ATOM 924 NE2 GLN A 61 0.967 -3.458 -11.295 1.00 0.00 N ATOM 0 H GLN A 61 -1.573 -0.041 -9.880 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.952 1.195 -12.442 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.340 -0.732 -13.867 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.083 -0.229 -12.976 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.533 -2.168 -11.445 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.039 -2.820 -12.995 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.304 -4.232 -11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.908 -3.610 -10.933 1.00 0.00 H new ATOM 933 N LEU A 62 -3.986 -0.497 -12.729 1.00 0.00 N ATOM 934 CA LEU A 62 -5.324 -1.125 -12.517 1.00 0.00 C ATOM 935 C LEU A 62 -6.139 -1.105 -13.813 1.00 0.00 C ATOM 936 O LEU A 62 -6.424 -2.135 -14.391 1.00 0.00 O ATOM 937 CB LEU A 62 -5.996 -0.265 -11.444 1.00 0.00 C ATOM 938 CG LEU A 62 -6.891 -1.143 -10.565 1.00 0.00 C ATOM 939 CD1 LEU A 62 -6.056 -1.786 -9.457 1.00 0.00 C ATOM 940 CD2 LEU A 62 -7.988 -0.281 -9.935 1.00 0.00 C ATOM 0 H LEU A 62 -3.808 -0.151 -13.672 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.245 -2.169 -12.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.240 0.227 -10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.588 0.521 -11.912 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.342 -1.923 -11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.697 -2.410 -8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.273 -2.400 -9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.602 -1.007 -8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.626 -0.905 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.532 0.499 -9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.588 0.177 -10.722 1.00 0.00 H new