USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 hydrogens (13 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 NoAdj-H: B 75 DAR HXT : B 75 DAR OXT : B 75 DAR C :(short bond) USER MOD NoAdj-H: B 75 DAR H2 : B 75 DAR N : B 74 GLY C :(H bumps) USER MOD NoAdj-H: B 75 DAR H : B 75 DAR N : B 74 GLY C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.24) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -40:sc= -5.42! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.23! K(o=-3.2!,f=-0.81) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -112:sc= 0.775 USER MOD Single : A 27 SER OG : rot 66:sc= 0.587 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.011) USER MOD Single : A 33 THR OG1 : rot 163:sc= -1.51 USER MOD Single : A 36 GLN : amide:sc= -0.0424 K(o=-0.042,f=-0.58) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 70:sc= 0.679 USER MOD Single : A 59 SER OG : rot -73:sc= -0.328 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 64 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.31) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 170:sc= 0 (180deg=-0.0103) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.801 -6.855 1.354 1.00 0.00 N ATOM 2 CA MET A 1 14.522 -6.398 0.739 1.00 0.00 C ATOM 3 C MET A 1 14.238 -7.219 -0.521 1.00 0.00 C ATOM 4 O MET A 1 14.073 -6.682 -1.598 1.00 0.00 O ATOM 5 CB MET A 1 14.636 -4.919 0.368 1.00 0.00 C ATOM 6 CG MET A 1 14.288 -4.056 1.582 1.00 0.00 C ATOM 7 SD MET A 1 14.321 -2.309 1.109 1.00 0.00 S ATOM 8 CE MET A 1 15.228 -1.702 2.554 1.00 0.00 C ATOM 0 H1 MET A 1 15.993 -6.297 2.210 1.00 0.00 H new ATOM 0 H2 MET A 1 15.725 -7.861 1.606 1.00 0.00 H new ATOM 0 H3 MET A 1 16.578 -6.726 0.675 1.00 0.00 H new ATOM 0 HA MET A 1 13.708 -6.533 1.451 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.648 -4.696 0.029 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.964 -4.689 -0.459 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.301 -4.323 1.961 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.999 -4.239 2.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.365 -0.624 2.471 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.664 -1.928 3.459 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.202 -2.189 2.603 1.00 0.00 H new ATOM 20 N LEU A 2 14.179 -8.518 -0.396 1.00 0.00 N ATOM 21 CA LEU A 2 13.906 -9.368 -1.590 1.00 0.00 C ATOM 22 C LEU A 2 13.029 -10.557 -1.187 1.00 0.00 C ATOM 23 O LEU A 2 12.915 -11.527 -1.908 1.00 0.00 O ATOM 24 CB LEU A 2 15.228 -9.884 -2.163 1.00 0.00 C ATOM 25 CG LEU A 2 15.168 -9.865 -3.691 1.00 0.00 C ATOM 26 CD1 LEU A 2 15.509 -8.463 -4.200 1.00 0.00 C ATOM 27 CD2 LEU A 2 16.178 -10.869 -4.252 1.00 0.00 C ATOM 0 H LEU A 2 14.308 -9.026 0.479 1.00 0.00 H new ATOM 0 HA LEU A 2 13.388 -8.774 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 2 16.054 -9.264 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 2 15.418 -10.897 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 2 14.164 -10.135 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 2 15.466 -8.451 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 2 14.791 -7.746 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 2 16.513 -8.192 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 2 16.137 -10.857 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 2 17.181 -10.598 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 2 15.936 -11.869 -3.891 1.00 0.00 H new ATOM 39 N GLN A 3 12.410 -10.490 -0.039 1.00 0.00 N ATOM 40 CA GLN A 3 11.544 -11.619 0.406 1.00 0.00 C ATOM 41 C GLN A 3 10.076 -11.181 0.389 1.00 0.00 C ATOM 42 O GLN A 3 9.365 -11.328 1.363 1.00 0.00 O ATOM 43 CB GLN A 3 11.937 -12.033 1.825 1.00 0.00 C ATOM 44 CG GLN A 3 11.746 -10.849 2.775 1.00 0.00 C ATOM 45 CD GLN A 3 12.200 -11.246 4.180 1.00 0.00 C ATOM 46 OE1 GLN A 3 11.409 -11.704 4.980 1.00 0.00 O ATOM 47 NE2 GLN A 3 13.451 -11.088 4.517 1.00 0.00 N ATOM 0 H GLN A 3 12.466 -9.704 0.608 1.00 0.00 H new ATOM 0 HA GLN A 3 11.676 -12.464 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.328 -12.876 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.975 -12.364 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.320 -9.991 2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.699 -10.547 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.115 -10.703 3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.764 -11.349 5.452 1.00 0.00 H new ATOM 56 N LYS A 4 9.619 -10.647 -0.711 1.00 0.00 N ATOM 57 CA LYS A 4 8.197 -10.202 -0.790 1.00 0.00 C ATOM 58 C LYS A 4 7.761 -10.157 -2.256 1.00 0.00 C ATOM 59 O LYS A 4 8.561 -10.318 -3.156 1.00 0.00 O ATOM 60 CB LYS A 4 8.041 -8.805 -0.172 1.00 0.00 C ATOM 61 CG LYS A 4 9.409 -8.129 -0.034 1.00 0.00 C ATOM 62 CD LYS A 4 10.001 -8.459 1.337 1.00 0.00 C ATOM 63 CE LYS A 4 10.180 -7.168 2.138 1.00 0.00 C ATOM 64 NZ LYS A 4 11.381 -7.287 3.011 1.00 0.00 N ATOM 0 H LYS A 4 10.168 -10.499 -1.558 1.00 0.00 H new ATOM 0 HA LYS A 4 7.575 -10.906 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.388 -8.195 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.566 -8.883 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.078 -8.472 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.307 -7.050 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.345 -9.144 1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.960 -8.963 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.292 -6.320 1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.294 -6.978 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.652 -6.345 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.163 -7.904 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.167 -7.695 2.466 1.00 0.00 H new ATOM 78 N LYS A 5 6.499 -9.938 -2.505 1.00 0.00 N ATOM 79 CA LYS A 5 6.016 -9.883 -3.915 1.00 0.00 C ATOM 80 C LYS A 5 5.835 -8.421 -4.333 1.00 0.00 C ATOM 81 O LYS A 5 6.613 -7.883 -5.095 1.00 0.00 O ATOM 82 CB LYS A 5 4.679 -10.623 -4.032 1.00 0.00 C ATOM 83 CG LYS A 5 4.618 -11.748 -2.994 1.00 0.00 C ATOM 84 CD LYS A 5 3.942 -11.231 -1.722 1.00 0.00 C ATOM 85 CE LYS A 5 2.717 -12.091 -1.408 1.00 0.00 C ATOM 86 NZ LYS A 5 2.101 -11.630 -0.132 1.00 0.00 N ATOM 0 H LYS A 5 5.782 -9.795 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 5 6.747 -10.360 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.853 -9.928 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.567 -11.034 -5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.064 -12.597 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.623 -12.102 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.643 -11.260 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.645 -10.190 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.993 -12.022 -2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.006 -13.139 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.268 -12.214 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.793 -11.718 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.811 -10.636 -0.226 1.00 0.00 H new ATOM 100 N ILE A 6 4.815 -7.771 -3.838 1.00 0.00 N ATOM 101 CA ILE A 6 4.589 -6.344 -4.205 1.00 0.00 C ATOM 102 C ILE A 6 5.101 -5.444 -3.069 1.00 0.00 C ATOM 103 O ILE A 6 5.111 -4.234 -3.180 1.00 0.00 O ATOM 104 CB ILE A 6 3.083 -6.122 -4.453 1.00 0.00 C ATOM 105 CG1 ILE A 6 2.789 -6.290 -5.952 1.00 0.00 C ATOM 106 CG2 ILE A 6 2.650 -4.719 -4.005 1.00 0.00 C ATOM 107 CD1 ILE A 6 3.176 -5.017 -6.714 1.00 0.00 C ATOM 0 H ILE A 6 4.129 -8.167 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 6 5.132 -6.092 -5.116 1.00 0.00 H new ATOM 0 HB ILE A 6 2.524 -6.856 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.345 -7.141 -6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.731 -6.504 -6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.584 -4.590 -4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.849 -4.600 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.209 -3.969 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.963 -5.149 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.601 -4.174 -6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.240 -4.822 -6.579 1.00 0.00 H new ATOM 119 N GLU A 7 5.524 -6.027 -1.978 1.00 0.00 N ATOM 120 CA GLU A 7 6.031 -5.206 -0.839 1.00 0.00 C ATOM 121 C GLU A 7 7.148 -4.284 -1.330 1.00 0.00 C ATOM 122 O GLU A 7 6.989 -3.080 -1.397 1.00 0.00 O ATOM 123 CB GLU A 7 6.575 -6.130 0.252 1.00 0.00 C ATOM 124 CG GLU A 7 6.208 -5.570 1.627 1.00 0.00 C ATOM 125 CD GLU A 7 5.437 -6.627 2.421 1.00 0.00 C ATOM 126 OE1 GLU A 7 6.077 -7.418 3.094 1.00 0.00 O ATOM 127 OE2 GLU A 7 4.219 -6.627 2.342 1.00 0.00 O ATOM 0 H GLU A 7 5.540 -7.036 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 7 5.217 -4.605 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.162 -7.132 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.658 -6.219 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.110 -5.282 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.602 -4.671 1.515 1.00 0.00 H new ATOM 134 N GLU A 8 8.280 -4.834 -1.675 1.00 0.00 N ATOM 135 CA GLU A 8 9.394 -3.975 -2.159 1.00 0.00 C ATOM 136 C GLU A 8 8.986 -3.342 -3.487 1.00 0.00 C ATOM 137 O GLU A 8 9.388 -2.239 -3.806 1.00 0.00 O ATOM 138 CB GLU A 8 10.657 -4.816 -2.349 1.00 0.00 C ATOM 139 CG GLU A 8 10.435 -5.825 -3.477 1.00 0.00 C ATOM 140 CD GLU A 8 11.740 -6.576 -3.751 1.00 0.00 C ATOM 141 OE1 GLU A 8 12.723 -5.921 -4.056 1.00 0.00 O ATOM 142 OE2 GLU A 8 11.733 -7.792 -3.651 1.00 0.00 O ATOM 0 H GLU A 8 8.480 -5.834 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 8 9.602 -3.195 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.504 -4.171 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.902 -5.337 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.649 -6.528 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.102 -5.311 -4.379 1.00 0.00 H new ATOM 149 N ILE A 9 8.156 -3.999 -4.252 1.00 0.00 N ATOM 150 CA ILE A 9 7.709 -3.370 -5.519 1.00 0.00 C ATOM 151 C ILE A 9 7.182 -1.994 -5.137 1.00 0.00 C ATOM 152 O ILE A 9 7.317 -1.025 -5.858 1.00 0.00 O ATOM 153 CB ILE A 9 6.598 -4.201 -6.161 1.00 0.00 C ATOM 154 CG1 ILE A 9 7.198 -5.494 -6.725 1.00 0.00 C ATOM 155 CG2 ILE A 9 5.953 -3.398 -7.292 1.00 0.00 C ATOM 156 CD1 ILE A 9 6.138 -6.249 -7.531 1.00 0.00 C ATOM 0 H ILE A 9 7.777 -4.926 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 9 8.523 -3.303 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 9 5.842 -4.445 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.054 -5.262 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.564 -6.121 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.160 -3.989 -7.751 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.532 -2.476 -6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.706 -3.156 -8.042 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.570 -7.167 -7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.296 -6.495 -6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.793 -5.623 -8.354 1.00 0.00 H new ATOM 168 N ALA A 10 6.621 -1.912 -3.959 1.00 0.00 N ATOM 169 CA ALA A 10 6.115 -0.617 -3.442 1.00 0.00 C ATOM 170 C ALA A 10 7.303 0.121 -2.829 1.00 0.00 C ATOM 171 O ALA A 10 7.381 1.332 -2.844 1.00 0.00 O ATOM 172 CB ALA A 10 5.062 -0.877 -2.364 1.00 0.00 C ATOM 0 H ALA A 10 6.493 -2.703 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 10 5.662 -0.028 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.689 0.074 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.236 -1.446 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.509 -1.445 -1.548 1.00 0.00 H new ATOM 178 N ALA A 11 8.235 -0.621 -2.291 1.00 0.00 N ATOM 179 CA ALA A 11 9.440 0.003 -1.683 1.00 0.00 C ATOM 180 C ALA A 11 10.099 0.931 -2.708 1.00 0.00 C ATOM 181 O ALA A 11 10.725 1.913 -2.364 1.00 0.00 O ATOM 182 CB ALA A 11 10.441 -1.083 -1.291 1.00 0.00 C ATOM 0 H ALA A 11 8.210 -1.640 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 11 9.144 0.567 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.323 -0.622 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.981 -1.758 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.734 -1.645 -2.178 1.00 0.00 H new ATOM 188 N LYS A 12 9.974 0.608 -3.968 1.00 0.00 N ATOM 189 CA LYS A 12 10.604 1.447 -5.031 1.00 0.00 C ATOM 190 C LYS A 12 9.708 2.641 -5.376 1.00 0.00 C ATOM 191 O LYS A 12 10.174 3.648 -5.871 1.00 0.00 O ATOM 192 CB LYS A 12 10.818 0.596 -6.285 1.00 0.00 C ATOM 193 CG LYS A 12 12.309 0.557 -6.628 1.00 0.00 C ATOM 194 CD LYS A 12 13.007 -0.489 -5.757 1.00 0.00 C ATOM 195 CE LYS A 12 12.883 -1.865 -6.413 1.00 0.00 C ATOM 196 NZ LYS A 12 13.884 -2.792 -5.814 1.00 0.00 N ATOM 0 H LYS A 12 9.460 -0.205 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 12 11.560 1.820 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.446 -0.415 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.253 1.011 -7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.444 0.316 -7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.756 1.538 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.058 -0.229 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.560 -0.507 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.876 -2.258 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.044 -1.783 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.800 -3.728 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.841 -2.418 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.710 -2.878 -4.792 1.00 0.00 H new ATOM 210 N TYR A 13 8.432 2.549 -5.119 1.00 0.00 N ATOM 211 CA TYR A 13 7.535 3.698 -5.437 1.00 0.00 C ATOM 212 C TYR A 13 8.056 4.909 -4.654 1.00 0.00 C ATOM 213 O TYR A 13 7.719 5.099 -3.507 1.00 0.00 O ATOM 214 CB TYR A 13 6.074 3.356 -5.050 1.00 0.00 C ATOM 215 CG TYR A 13 5.463 2.461 -6.111 1.00 0.00 C ATOM 216 CD1 TYR A 13 6.199 1.374 -6.585 1.00 0.00 C ATOM 217 CD2 TYR A 13 4.165 2.704 -6.624 1.00 0.00 C ATOM 218 CE1 TYR A 13 5.666 0.529 -7.557 1.00 0.00 C ATOM 219 CE2 TYR A 13 3.645 1.857 -7.596 1.00 0.00 C ATOM 220 CZ TYR A 13 4.391 0.769 -8.062 1.00 0.00 C ATOM 221 OH TYR A 13 3.862 -0.068 -9.021 1.00 0.00 O ATOM 0 H TYR A 13 7.974 1.736 -4.706 1.00 0.00 H new ATOM 0 HA TYR A 13 7.537 3.918 -6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.051 2.857 -4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.490 4.271 -4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.189 1.186 -6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.584 3.540 -6.263 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.241 -0.311 -7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.658 2.040 -7.994 1.00 0.00 H new ATOM 0 HH TYR A 13 4.560 -0.311 -9.664 1.00 0.00 H new ATOM 231 N LYS A 14 8.912 5.692 -5.285 1.00 0.00 N ATOM 232 CA LYS A 14 9.554 6.898 -4.642 1.00 0.00 C ATOM 233 C LYS A 14 9.145 7.067 -3.172 1.00 0.00 C ATOM 234 O LYS A 14 8.027 7.414 -2.855 1.00 0.00 O ATOM 235 CB LYS A 14 9.171 8.155 -5.425 1.00 0.00 C ATOM 236 CG LYS A 14 10.431 8.802 -6.001 1.00 0.00 C ATOM 237 CD LYS A 14 11.126 7.817 -6.942 1.00 0.00 C ATOM 238 CE LYS A 14 12.439 8.424 -7.436 1.00 0.00 C ATOM 239 NZ LYS A 14 13.580 7.590 -6.967 1.00 0.00 N ATOM 0 H LYS A 14 9.201 5.539 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 14 10.633 6.745 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.481 7.899 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.654 8.859 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.171 9.714 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.106 9.089 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.319 6.878 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.478 7.587 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.439 8.480 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.543 9.443 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.473 8.003 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.583 7.558 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.482 6.625 -7.342 1.00 0.00 H new ATOM 253 N HIS A 15 10.061 6.825 -2.272 1.00 0.00 N ATOM 254 CA HIS A 15 9.750 6.965 -0.819 1.00 0.00 C ATOM 255 C HIS A 15 9.035 8.292 -0.556 1.00 0.00 C ATOM 256 O HIS A 15 8.305 8.428 0.406 1.00 0.00 O ATOM 257 CB HIS A 15 11.050 6.920 -0.012 1.00 0.00 C ATOM 258 CG HIS A 15 11.944 8.049 -0.437 1.00 0.00 C ATOM 259 ND1 HIS A 15 12.843 8.644 0.433 1.00 0.00 N ATOM 260 CD2 HIS A 15 12.096 8.698 -1.637 1.00 0.00 C ATOM 261 CE1 HIS A 15 13.489 9.605 -0.250 1.00 0.00 C ATOM 262 NE2 HIS A 15 13.073 9.681 -1.516 1.00 0.00 N ATOM 0 H HIS A 15 11.016 6.535 -2.482 1.00 0.00 H new ATOM 0 HA HIS A 15 9.099 6.145 -0.516 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.832 6.996 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.553 5.966 -0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.542 8.479 -2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.253 10.239 0.175 1.00 0.00 H new ATOM 0 HE2 HIS A 15 13.401 10.322 -2.239 1.00 0.00 H new ATOM 270 N SER A 16 9.238 9.273 -1.396 1.00 0.00 N ATOM 271 CA SER A 16 8.567 10.589 -1.184 1.00 0.00 C ATOM 272 C SER A 16 7.116 10.358 -0.761 1.00 0.00 C ATOM 273 O SER A 16 6.768 10.475 0.397 1.00 0.00 O ATOM 274 CB SER A 16 8.595 11.391 -2.486 1.00 0.00 C ATOM 275 OG SER A 16 7.757 12.531 -2.352 1.00 0.00 O ATOM 0 H SER A 16 9.839 9.220 -2.219 1.00 0.00 H new ATOM 0 HA SER A 16 9.090 11.142 -0.404 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.615 11.700 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.256 10.771 -3.316 1.00 0.00 H new ATOM 0 HG SER A 16 7.774 13.049 -3.184 1.00 0.00 H new ATOM 281 N VAL A 17 6.271 10.020 -1.692 1.00 0.00 N ATOM 282 CA VAL A 17 4.844 9.767 -1.355 1.00 0.00 C ATOM 283 C VAL A 17 4.380 8.518 -2.105 1.00 0.00 C ATOM 284 O VAL A 17 3.787 7.622 -1.539 1.00 0.00 O ATOM 285 CB VAL A 17 3.996 10.968 -1.780 1.00 0.00 C ATOM 286 CG1 VAL A 17 2.517 10.587 -1.740 1.00 0.00 C ATOM 287 CG2 VAL A 17 4.246 12.134 -0.820 1.00 0.00 C ATOM 0 H VAL A 17 6.509 9.907 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 17 4.734 9.618 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 17 4.269 11.264 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.913 11.442 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.337 9.756 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.245 10.291 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.642 12.990 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.973 11.837 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.301 12.407 -0.846 1.00 0.00 H new ATOM 297 N VAL A 18 4.662 8.453 -3.376 1.00 0.00 N ATOM 298 CA VAL A 18 4.258 7.267 -4.183 1.00 0.00 C ATOM 299 C VAL A 18 4.562 5.981 -3.406 1.00 0.00 C ATOM 300 O VAL A 18 3.963 4.954 -3.638 1.00 0.00 O ATOM 301 CB VAL A 18 5.055 7.263 -5.482 1.00 0.00 C ATOM 302 CG1 VAL A 18 6.534 7.255 -5.137 1.00 0.00 C ATOM 303 CG2 VAL A 18 4.723 6.012 -6.294 1.00 0.00 C ATOM 0 H VAL A 18 5.159 9.177 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 18 3.190 7.316 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 18 4.804 8.145 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.122 7.252 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.776 8.143 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.767 6.364 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.297 6.017 -7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.977 5.124 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.658 6.001 -6.527 1.00 0.00 H new ATOM 313 N LYS A 19 5.494 6.022 -2.492 1.00 0.00 N ATOM 314 CA LYS A 19 5.822 4.792 -1.715 1.00 0.00 C ATOM 315 C LYS A 19 4.650 4.463 -0.781 1.00 0.00 C ATOM 316 O LYS A 19 3.805 3.649 -1.094 1.00 0.00 O ATOM 317 CB LYS A 19 7.107 5.032 -0.903 1.00 0.00 C ATOM 318 CG LYS A 19 7.125 4.157 0.359 1.00 0.00 C ATOM 319 CD LYS A 19 8.515 3.541 0.538 1.00 0.00 C ATOM 320 CE LYS A 19 8.975 3.738 1.983 1.00 0.00 C ATOM 321 NZ LYS A 19 10.095 2.801 2.281 1.00 0.00 N ATOM 0 H LYS A 19 6.040 6.849 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 19 5.985 3.952 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.979 4.809 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.175 6.083 -0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.866 4.756 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.375 3.370 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.488 2.479 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.223 4.007 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.298 4.768 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.146 3.559 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.408 2.935 3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.772 1.821 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.888 2.992 1.636 1.00 0.00 H new ATOM 335 N LYS A 20 4.595 5.091 0.364 1.00 0.00 N ATOM 336 CA LYS A 20 3.481 4.807 1.317 1.00 0.00 C ATOM 337 C LYS A 20 2.155 4.739 0.562 1.00 0.00 C ATOM 338 O LYS A 20 1.216 4.118 1.009 1.00 0.00 O ATOM 339 CB LYS A 20 3.417 5.906 2.381 1.00 0.00 C ATOM 340 CG LYS A 20 2.228 5.650 3.309 1.00 0.00 C ATOM 341 CD LYS A 20 2.292 6.613 4.495 1.00 0.00 C ATOM 342 CE LYS A 20 2.003 8.036 4.014 1.00 0.00 C ATOM 343 NZ LYS A 20 0.710 8.500 4.587 1.00 0.00 N ATOM 0 H LYS A 20 5.271 5.786 0.680 1.00 0.00 H new ATOM 0 HA LYS A 20 3.663 3.848 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.343 5.925 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.317 6.882 1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.293 5.786 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.244 4.619 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.567 6.320 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.277 6.568 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.808 8.705 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.961 8.062 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.513 9.467 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.054 7.867 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.767 8.490 5.625 1.00 0.00 H new ATOM 357 N CYS A 21 2.073 5.355 -0.582 1.00 0.00 N ATOM 358 CA CYS A 21 0.815 5.297 -1.372 1.00 0.00 C ATOM 359 C CYS A 21 0.647 3.893 -1.944 1.00 0.00 C ATOM 360 O CYS A 21 -0.232 3.158 -1.576 1.00 0.00 O ATOM 361 CB CYS A 21 0.915 6.231 -2.541 1.00 0.00 C ATOM 362 SG CYS A 21 1.107 7.936 -1.964 1.00 0.00 S ATOM 0 H CYS A 21 2.826 5.898 -1.005 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.019 5.566 -0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.764 5.953 -3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.022 6.147 -3.160 1.00 0.00 H new ATOM 367 N CYS A 22 1.490 3.526 -2.865 1.00 0.00 N ATOM 368 CA CYS A 22 1.381 2.180 -3.472 1.00 0.00 C ATOM 369 C CYS A 22 1.162 1.161 -2.350 1.00 0.00 C ATOM 370 O CYS A 22 0.339 0.249 -2.451 1.00 0.00 O ATOM 371 CB CYS A 22 2.646 1.907 -4.274 1.00 0.00 C ATOM 372 SG CYS A 22 3.079 0.140 -4.296 1.00 0.00 S ATOM 0 H CYS A 22 2.251 4.104 -3.222 1.00 0.00 H new ATOM 0 HA CYS A 22 0.535 2.108 -4.156 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.508 2.258 -5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.473 2.477 -3.850 1.00 0.00 H new ATOM 377 N TYR A 23 1.853 1.336 -1.249 1.00 0.00 N ATOM 378 CA TYR A 23 1.637 0.414 -0.115 1.00 0.00 C ATOM 379 C TYR A 23 0.167 0.530 0.257 1.00 0.00 C ATOM 380 O TYR A 23 -0.530 -0.443 0.372 1.00 0.00 O ATOM 381 CB TYR A 23 2.511 0.812 1.078 1.00 0.00 C ATOM 382 CG TYR A 23 3.898 0.245 0.897 1.00 0.00 C ATOM 383 CD1 TYR A 23 4.819 0.920 0.095 1.00 0.00 C ATOM 384 CD2 TYR A 23 4.263 -0.950 1.530 1.00 0.00 C ATOM 385 CE1 TYR A 23 6.109 0.406 -0.077 1.00 0.00 C ATOM 386 CE2 TYR A 23 5.555 -1.465 1.358 1.00 0.00 C ATOM 387 CZ TYR A 23 6.478 -0.787 0.554 1.00 0.00 C ATOM 388 OH TYR A 23 7.750 -1.292 0.384 1.00 0.00 O ATOM 0 H TYR A 23 2.545 2.069 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 23 1.903 -0.607 -0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.558 1.898 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.072 0.440 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.536 1.841 -0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.550 -1.474 2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.821 0.931 -0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.838 -2.386 1.846 1.00 0.00 H new ATOM 0 HH TYR A 23 7.706 -2.123 -0.133 1.00 0.00 H new ATOM 398 N ASP A 24 -0.306 1.739 0.406 1.00 0.00 N ATOM 399 CA ASP A 24 -1.741 1.964 0.737 1.00 0.00 C ATOM 400 C ASP A 24 -2.609 1.113 -0.192 1.00 0.00 C ATOM 401 O ASP A 24 -3.569 0.489 0.226 1.00 0.00 O ATOM 402 CB ASP A 24 -2.087 3.457 0.543 1.00 0.00 C ATOM 403 CG ASP A 24 -1.694 4.233 1.801 1.00 0.00 C ATOM 404 OD1 ASP A 24 -1.078 3.639 2.671 1.00 0.00 O ATOM 405 OD2 ASP A 24 -2.014 5.408 1.875 1.00 0.00 O ATOM 0 H ASP A 24 0.249 2.590 0.311 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.928 1.683 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.559 3.855 -0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.153 3.573 0.348 1.00 0.00 H new ATOM 410 N GLY A 25 -2.269 1.092 -1.451 1.00 0.00 N ATOM 411 CA GLY A 25 -3.049 0.311 -2.444 1.00 0.00 C ATOM 412 C GLY A 25 -3.121 -1.146 -2.005 1.00 0.00 C ATOM 413 O GLY A 25 -4.183 -1.679 -1.750 1.00 0.00 O ATOM 0 H GLY A 25 -1.469 1.593 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.054 0.723 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.582 0.383 -3.426 1.00 0.00 H new ATOM 417 N ALA A 26 -1.996 -1.803 -1.926 1.00 0.00 N ATOM 418 CA ALA A 26 -2.015 -3.241 -1.513 1.00 0.00 C ATOM 419 C ALA A 26 -1.948 -3.362 0.017 1.00 0.00 C ATOM 420 O ALA A 26 -1.694 -4.424 0.549 1.00 0.00 O ATOM 421 CB ALA A 26 -0.814 -3.962 -2.126 1.00 0.00 C ATOM 0 H ALA A 26 -1.074 -1.415 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.942 -3.694 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.827 -5.010 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.865 -3.895 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.107 -3.496 -1.777 1.00 0.00 H new ATOM 427 N SER A 27 -2.148 -2.285 0.726 1.00 0.00 N ATOM 428 CA SER A 27 -2.069 -2.343 2.212 1.00 0.00 C ATOM 429 C SER A 27 -3.461 -2.357 2.839 1.00 0.00 C ATOM 430 O SER A 27 -3.796 -3.229 3.615 1.00 0.00 O ATOM 431 CB SER A 27 -1.311 -1.132 2.721 1.00 0.00 C ATOM 432 OG SER A 27 0.086 -1.363 2.602 1.00 0.00 O ATOM 0 H SER A 27 -2.363 -1.366 0.339 1.00 0.00 H new ATOM 0 HA SER A 27 -1.553 -3.262 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.594 -0.247 2.151 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.571 -0.938 3.762 1.00 0.00 H new ATOM 0 HG SER A 27 0.327 -1.430 1.654 1.00 0.00 H new ATOM 438 N VAL A 28 -4.267 -1.378 2.532 1.00 0.00 N ATOM 439 CA VAL A 28 -5.629 -1.326 3.146 1.00 0.00 C ATOM 440 C VAL A 28 -6.431 -2.561 2.725 1.00 0.00 C ATOM 441 O VAL A 28 -5.914 -3.465 2.098 1.00 0.00 O ATOM 442 CB VAL A 28 -6.369 -0.049 2.714 1.00 0.00 C ATOM 443 CG1 VAL A 28 -7.271 0.423 3.858 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.365 1.062 2.398 1.00 0.00 C ATOM 0 H VAL A 28 -4.047 -0.617 1.889 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.524 -1.314 4.231 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.962 -0.269 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.798 1.328 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.995 -0.356 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.663 0.633 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.901 1.961 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.770 1.278 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.708 0.740 1.590 1.00 0.00 H new ATOM 454 N ASN A 29 -7.689 -2.614 3.081 1.00 0.00 N ATOM 455 CA ASN A 29 -8.529 -3.792 2.719 1.00 0.00 C ATOM 456 C ASN A 29 -8.234 -4.224 1.284 1.00 0.00 C ATOM 457 O ASN A 29 -7.605 -3.514 0.525 1.00 0.00 O ATOM 458 CB ASN A 29 -10.009 -3.422 2.839 1.00 0.00 C ATOM 459 CG ASN A 29 -10.717 -4.433 3.741 1.00 0.00 C ATOM 460 OD1 ASN A 29 -10.512 -4.443 4.938 1.00 0.00 O ATOM 461 ND2 ASN A 29 -11.548 -5.288 3.214 1.00 0.00 N ATOM 0 H ASN A 29 -8.172 -1.887 3.610 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.298 -4.613 3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.111 -2.418 3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.473 -3.411 1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.027 -5.966 3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.720 -5.279 2.209 1.00 0.00 H new ATOM 468 N ASN A 30 -8.693 -5.387 0.907 1.00 0.00 N ATOM 469 CA ASN A 30 -8.449 -5.875 -0.478 1.00 0.00 C ATOM 470 C ASN A 30 -8.650 -4.727 -1.468 1.00 0.00 C ATOM 471 O ASN A 30 -8.068 -4.708 -2.535 1.00 0.00 O ATOM 472 CB ASN A 30 -9.429 -7.007 -0.799 1.00 0.00 C ATOM 473 CG ASN A 30 -8.955 -8.296 -0.126 1.00 0.00 C ATOM 474 OD1 ASN A 30 -9.695 -8.921 0.608 1.00 0.00 O ATOM 475 ND2 ASN A 30 -7.742 -8.725 -0.348 1.00 0.00 N ATOM 0 H ASN A 30 -9.228 -6.021 1.501 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.427 -6.246 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.428 -6.748 -0.450 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.496 -7.150 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.416 -9.584 0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.120 -8.201 -0.964 1.00 0.00 H new ATOM 482 N ASP A 31 -9.464 -3.765 -1.127 1.00 0.00 N ATOM 483 CA ASP A 31 -9.688 -2.625 -2.057 1.00 0.00 C ATOM 484 C ASP A 31 -10.255 -1.425 -1.294 1.00 0.00 C ATOM 485 O ASP A 31 -10.961 -0.607 -1.851 1.00 0.00 O ATOM 486 CB ASP A 31 -10.673 -3.044 -3.150 1.00 0.00 C ATOM 487 CG ASP A 31 -9.936 -3.154 -4.486 1.00 0.00 C ATOM 488 OD1 ASP A 31 -9.655 -2.122 -5.072 1.00 0.00 O ATOM 489 OD2 ASP A 31 -9.665 -4.269 -4.901 1.00 0.00 O ATOM 0 H ASP A 31 -9.981 -3.720 -0.249 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.736 -2.343 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.130 -4.000 -2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.480 -2.315 -3.226 1.00 0.00 H new ATOM 494 N GLU A 32 -9.949 -1.300 -0.031 1.00 0.00 N ATOM 495 CA GLU A 32 -10.476 -0.137 0.739 1.00 0.00 C ATOM 496 C GLU A 32 -10.147 1.146 -0.032 1.00 0.00 C ATOM 497 O GLU A 32 -10.935 1.628 -0.822 1.00 0.00 O ATOM 498 CB GLU A 32 -9.827 -0.100 2.128 1.00 0.00 C ATOM 499 CG GLU A 32 -9.841 1.326 2.693 1.00 0.00 C ATOM 500 CD GLU A 32 -10.125 1.279 4.194 1.00 0.00 C ATOM 501 OE1 GLU A 32 -10.771 0.338 4.625 1.00 0.00 O ATOM 502 OE2 GLU A 32 -9.689 2.183 4.887 1.00 0.00 O ATOM 0 H GLU A 32 -9.362 -1.946 0.497 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.555 -0.226 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.361 -0.769 2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.801 -0.462 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.882 1.811 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.601 1.921 2.187 1.00 0.00 H new ATOM 509 N THR A 33 -8.983 1.694 0.187 1.00 0.00 N ATOM 510 CA THR A 33 -8.593 2.931 -0.534 1.00 0.00 C ATOM 511 C THR A 33 -8.381 2.593 -2.006 1.00 0.00 C ATOM 512 O THR A 33 -8.711 3.358 -2.879 1.00 0.00 O ATOM 513 CB THR A 33 -7.298 3.470 0.071 1.00 0.00 C ATOM 514 OG1 THR A 33 -6.266 2.507 -0.093 1.00 0.00 O ATOM 515 CG2 THR A 33 -7.507 3.742 1.559 1.00 0.00 C ATOM 0 H THR A 33 -8.285 1.334 0.838 1.00 0.00 H new ATOM 0 HA THR A 33 -9.373 3.687 -0.444 1.00 0.00 H new ATOM 0 HB THR A 33 -7.017 4.396 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.395 2.936 0.036 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.584 4.127 1.992 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.301 4.477 1.686 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.786 2.816 2.062 1.00 0.00 H new ATOM 523 N CYS A 34 -7.851 1.434 -2.277 1.00 0.00 N ATOM 524 CA CYS A 34 -7.635 1.004 -3.692 1.00 0.00 C ATOM 525 C CYS A 34 -8.824 1.445 -4.549 1.00 0.00 C ATOM 526 O CYS A 34 -8.687 1.765 -5.711 1.00 0.00 O ATOM 527 CB CYS A 34 -7.568 -0.523 -3.713 1.00 0.00 C ATOM 528 SG CYS A 34 -6.742 -1.078 -5.218 1.00 0.00 S ATOM 0 H CYS A 34 -7.554 0.757 -1.574 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.718 1.446 -4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.029 -0.885 -2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.573 -0.941 -3.664 1.00 0.00 H new ATOM 533 N GLU A 35 -9.994 1.437 -3.982 1.00 0.00 N ATOM 534 CA GLU A 35 -11.214 1.813 -4.765 1.00 0.00 C ATOM 535 C GLU A 35 -11.511 3.312 -4.667 1.00 0.00 C ATOM 536 O GLU A 35 -11.389 4.038 -5.634 1.00 0.00 O ATOM 537 CB GLU A 35 -12.418 1.030 -4.236 1.00 0.00 C ATOM 538 CG GLU A 35 -13.490 0.946 -5.324 1.00 0.00 C ATOM 539 CD GLU A 35 -14.672 0.115 -4.818 1.00 0.00 C ATOM 540 OE1 GLU A 35 -14.508 -1.086 -4.674 1.00 0.00 O ATOM 541 OE2 GLU A 35 -15.721 0.694 -4.586 1.00 0.00 O ATOM 0 H GLU A 35 -10.165 1.187 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.028 1.570 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.110 0.028 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.822 1.519 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.826 1.947 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.074 0.494 -6.224 1.00 0.00 H new ATOM 548 N GLN A 36 -11.919 3.779 -3.519 1.00 0.00 N ATOM 549 CA GLN A 36 -12.246 5.230 -3.379 1.00 0.00 C ATOM 550 C GLN A 36 -11.185 6.075 -4.083 1.00 0.00 C ATOM 551 O GLN A 36 -11.434 7.194 -4.487 1.00 0.00 O ATOM 552 CB GLN A 36 -12.293 5.599 -1.895 1.00 0.00 C ATOM 553 CG GLN A 36 -13.449 4.857 -1.222 1.00 0.00 C ATOM 554 CD GLN A 36 -14.197 5.814 -0.292 1.00 0.00 C ATOM 555 OE1 GLN A 36 -13.601 6.680 0.316 1.00 0.00 O ATOM 556 NE2 GLN A 36 -15.490 5.694 -0.155 1.00 0.00 N ATOM 0 H GLN A 36 -12.040 3.222 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.216 5.425 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.350 5.338 -1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.422 6.675 -1.781 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.129 4.460 -1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.069 4.006 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.992 4.967 -0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.998 6.327 0.462 1.00 0.00 H new ATOM 565 N ARG A 37 -10.003 5.552 -4.225 1.00 0.00 N ATOM 566 CA ARG A 37 -8.917 6.317 -4.888 1.00 0.00 C ATOM 567 C ARG A 37 -8.742 5.847 -6.339 1.00 0.00 C ATOM 568 O ARG A 37 -8.588 6.648 -7.235 1.00 0.00 O ATOM 569 CB ARG A 37 -7.616 6.100 -4.114 1.00 0.00 C ATOM 570 CG ARG A 37 -7.668 6.837 -2.768 1.00 0.00 C ATOM 571 CD ARG A 37 -8.257 8.240 -2.951 1.00 0.00 C ATOM 572 NE ARG A 37 -7.589 9.187 -2.015 1.00 0.00 N ATOM 573 CZ ARG A 37 -7.693 10.475 -2.203 1.00 0.00 C ATOM 574 NH1 ARG A 37 -8.363 10.939 -3.223 1.00 0.00 N ATOM 575 NH2 ARG A 37 -7.118 11.302 -1.372 1.00 0.00 N ATOM 0 H ARG A 37 -9.741 4.619 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.173 7.376 -4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.457 5.035 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.771 6.460 -4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.273 6.271 -2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.666 6.908 -2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.120 8.572 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.330 8.222 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.050 8.829 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.808 10.295 -3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.442 11.946 -3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.589 10.942 -0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.198 12.308 -1.517 1.00 0.00 H new ATOM 589 N ALA A 38 -8.751 4.561 -6.590 1.00 0.00 N ATOM 590 CA ALA A 38 -8.571 4.100 -7.999 1.00 0.00 C ATOM 591 C ALA A 38 -9.888 4.243 -8.766 1.00 0.00 C ATOM 592 O ALA A 38 -10.002 3.822 -9.900 1.00 0.00 O ATOM 593 CB ALA A 38 -8.125 2.637 -8.016 1.00 0.00 C ATOM 0 H ALA A 38 -8.873 3.824 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.808 4.714 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.996 2.308 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.180 2.539 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.881 2.020 -7.530 1.00 0.00 H new ATOM 599 N ALA A 39 -10.885 4.833 -8.164 1.00 0.00 N ATOM 600 CA ALA A 39 -12.186 4.996 -8.873 1.00 0.00 C ATOM 601 C ALA A 39 -12.744 6.401 -8.617 1.00 0.00 C ATOM 602 O ALA A 39 -13.301 7.025 -9.498 1.00 0.00 O ATOM 603 CB ALA A 39 -13.181 3.952 -8.362 1.00 0.00 C ATOM 0 H ALA A 39 -10.855 5.208 -7.216 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.031 4.859 -9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -14.132 4.071 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.788 2.953 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.332 4.087 -7.291 1.00 0.00 H new ATOM 609 N ARG A 40 -12.601 6.902 -7.420 1.00 0.00 N ATOM 610 CA ARG A 40 -13.126 8.264 -7.116 1.00 0.00 C ATOM 611 C ARG A 40 -11.963 9.187 -6.741 1.00 0.00 C ATOM 612 O ARG A 40 -11.551 9.249 -5.600 1.00 0.00 O ATOM 613 CB ARG A 40 -14.109 8.184 -5.946 1.00 0.00 C ATOM 614 CG ARG A 40 -15.539 8.088 -6.483 1.00 0.00 C ATOM 615 CD ARG A 40 -16.336 9.316 -6.037 1.00 0.00 C ATOM 616 NE ARG A 40 -16.564 9.256 -4.566 1.00 0.00 N ATOM 617 CZ ARG A 40 -16.953 10.322 -3.918 1.00 0.00 C ATOM 618 NH1 ARG A 40 -17.139 11.446 -4.555 1.00 0.00 N ATOM 619 NH2 ARG A 40 -17.155 10.262 -2.630 1.00 0.00 N ATOM 0 H ARG A 40 -12.144 6.428 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.637 8.660 -7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.883 7.316 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.007 9.064 -5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.527 8.025 -7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.016 7.179 -6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -15.795 10.227 -6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.291 9.353 -6.562 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.416 8.381 -4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.981 11.494 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.443 12.276 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.009 9.384 -2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.459 11.093 -2.122 1.00 0.00 H new ATOM 633 N ILE A 41 -11.434 9.907 -7.692 1.00 0.00 N ATOM 634 CA ILE A 41 -10.300 10.825 -7.390 1.00 0.00 C ATOM 635 C ILE A 41 -10.746 12.274 -7.608 1.00 0.00 C ATOM 636 O ILE A 41 -10.889 12.726 -8.727 1.00 0.00 O ATOM 637 CB ILE A 41 -9.125 10.499 -8.317 1.00 0.00 C ATOM 638 CG1 ILE A 41 -8.425 9.236 -7.817 1.00 0.00 C ATOM 639 CG2 ILE A 41 -8.131 11.660 -8.324 1.00 0.00 C ATOM 640 CD1 ILE A 41 -7.977 8.394 -9.014 1.00 0.00 C ATOM 0 H ILE A 41 -11.738 9.899 -8.666 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.989 10.697 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.497 10.340 -9.329 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.564 9.503 -7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.100 8.659 -7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.298 11.422 -8.985 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.629 12.563 -8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.757 11.825 -7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.478 7.493 -8.658 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.847 8.116 -9.609 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.287 8.973 -9.628 1.00 0.00 H new ATOM 652 N SER A 42 -10.962 13.009 -6.551 1.00 0.00 N ATOM 653 CA SER A 42 -11.390 14.427 -6.710 1.00 0.00 C ATOM 654 C SER A 42 -10.394 15.151 -7.619 1.00 0.00 C ATOM 655 O SER A 42 -10.732 15.593 -8.698 1.00 0.00 O ATOM 656 CB SER A 42 -11.423 15.109 -5.342 1.00 0.00 C ATOM 657 OG SER A 42 -10.564 14.415 -4.449 1.00 0.00 O ATOM 0 H SER A 42 -10.861 12.690 -5.588 1.00 0.00 H new ATOM 0 HA SER A 42 -12.385 14.463 -7.153 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.108 16.148 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.441 15.118 -4.952 1.00 0.00 H new ATOM 0 HG SER A 42 -10.582 14.852 -3.572 1.00 0.00 H new ATOM 663 N LEU A 43 -9.165 15.266 -7.193 1.00 0.00 N ATOM 664 CA LEU A 43 -8.148 15.954 -8.038 1.00 0.00 C ATOM 665 C LEU A 43 -7.003 14.985 -8.351 1.00 0.00 C ATOM 666 O LEU A 43 -6.285 15.150 -9.318 1.00 0.00 O ATOM 667 CB LEU A 43 -7.595 17.175 -7.298 1.00 0.00 C ATOM 668 CG LEU A 43 -7.615 16.921 -5.789 1.00 0.00 C ATOM 669 CD1 LEU A 43 -6.577 15.856 -5.434 1.00 0.00 C ATOM 670 CD2 LEU A 43 -7.283 18.221 -5.054 1.00 0.00 C ATOM 0 H LEU A 43 -8.822 14.914 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.616 16.280 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.577 17.381 -7.628 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.191 18.056 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.604 16.574 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.593 15.677 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.811 14.930 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.586 16.201 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.296 18.044 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.293 18.565 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.023 18.981 -5.306 1.00 0.00 H new ATOM 682 N GLY A 44 -6.829 13.973 -7.545 1.00 0.00 N ATOM 683 CA GLY A 44 -5.734 12.994 -7.802 1.00 0.00 C ATOM 684 C GLY A 44 -4.451 13.453 -7.111 1.00 0.00 C ATOM 685 O GLY A 44 -3.551 13.970 -7.743 1.00 0.00 O ATOM 0 H GLY A 44 -7.397 13.782 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.022 12.009 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.565 12.898 -8.875 1.00 0.00 H new ATOM 689 N PRO A 45 -4.374 13.255 -5.824 1.00 0.00 N ATOM 690 CA PRO A 45 -3.180 13.640 -5.014 1.00 0.00 C ATOM 691 C PRO A 45 -1.937 12.957 -5.587 1.00 0.00 C ATOM 692 O PRO A 45 -1.078 13.592 -6.164 1.00 0.00 O ATOM 693 CB PRO A 45 -3.482 13.099 -3.619 1.00 0.00 C ATOM 694 CG PRO A 45 -4.855 12.442 -3.636 1.00 0.00 C ATOM 695 CD PRO A 45 -5.469 12.622 -5.026 1.00 0.00 C ATOM 0 HA PRO A 45 -2.993 14.714 -5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.722 12.377 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.459 13.907 -2.887 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.770 11.382 -3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.498 12.890 -2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.775 11.667 -5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.356 13.255 -4.992 1.00 0.00 H new ATOM 703 N ARG A 46 -1.839 11.665 -5.435 1.00 0.00 N ATOM 704 CA ARG A 46 -0.654 10.943 -5.976 1.00 0.00 C ATOM 705 C ARG A 46 -0.767 9.450 -5.653 1.00 0.00 C ATOM 706 O ARG A 46 -0.438 8.596 -6.471 1.00 0.00 O ATOM 707 CB ARG A 46 0.617 11.510 -5.339 1.00 0.00 C ATOM 708 CG ARG A 46 1.814 11.233 -6.250 1.00 0.00 C ATOM 709 CD ARG A 46 2.081 12.456 -7.131 1.00 0.00 C ATOM 710 NE ARG A 46 3.011 13.383 -6.425 1.00 0.00 N ATOM 711 CZ ARG A 46 3.614 14.337 -7.085 1.00 0.00 C ATOM 712 NH1 ARG A 46 3.410 14.481 -8.366 1.00 0.00 N ATOM 713 NH2 ARG A 46 4.424 15.147 -6.460 1.00 0.00 N ATOM 0 H ARG A 46 -2.527 11.080 -4.961 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.611 11.073 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.509 12.583 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.779 11.057 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.695 11.004 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.616 10.360 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.513 12.145 -8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.145 12.966 -7.358 1.00 0.00 H new ATOM 0 HE ARG A 46 3.177 13.273 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.778 13.848 -8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.882 15.227 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.585 15.035 -5.459 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.896 15.892 -6.972 1.00 0.00 H new ATOM 727 N CYS A 47 -1.218 9.118 -4.466 1.00 0.00 N ATOM 728 CA CYS A 47 -1.325 7.680 -4.108 1.00 0.00 C ATOM 729 C CYS A 47 -2.311 6.992 -5.036 1.00 0.00 C ATOM 730 O CYS A 47 -2.201 5.821 -5.296 1.00 0.00 O ATOM 731 CB CYS A 47 -1.772 7.487 -2.642 1.00 0.00 C ATOM 732 SG CYS A 47 -0.772 8.526 -1.558 1.00 0.00 S ATOM 0 H CYS A 47 -1.511 9.775 -3.743 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.336 7.235 -4.219 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.826 7.744 -2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.669 6.441 -2.355 1.00 0.00 H new ATOM 737 N ILE A 48 -3.278 7.684 -5.546 1.00 0.00 N ATOM 738 CA ILE A 48 -4.219 6.988 -6.440 1.00 0.00 C ATOM 739 C ILE A 48 -3.484 6.550 -7.710 1.00 0.00 C ATOM 740 O ILE A 48 -3.551 5.414 -8.086 1.00 0.00 O ATOM 741 CB ILE A 48 -5.421 7.889 -6.774 1.00 0.00 C ATOM 742 CG1 ILE A 48 -5.028 9.018 -7.740 1.00 0.00 C ATOM 743 CG2 ILE A 48 -5.977 8.500 -5.491 1.00 0.00 C ATOM 744 CD1 ILE A 48 -4.166 10.056 -7.018 1.00 0.00 C ATOM 0 H ILE A 48 -3.454 8.676 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.606 6.103 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.178 7.271 -7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.481 8.607 -8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.924 9.493 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.828 9.138 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.298 7.704 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.203 9.095 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.894 10.850 -7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.727 10.479 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.261 9.579 -6.641 1.00 0.00 H new ATOM 756 N LYS A 49 -2.775 7.418 -8.369 1.00 0.00 N ATOM 757 CA LYS A 49 -2.057 6.993 -9.608 1.00 0.00 C ATOM 758 C LYS A 49 -1.004 5.934 -9.264 1.00 0.00 C ATOM 759 O LYS A 49 -1.067 4.791 -9.718 1.00 0.00 O ATOM 760 CB LYS A 49 -1.370 8.206 -10.239 1.00 0.00 C ATOM 761 CG LYS A 49 -2.234 8.746 -11.379 1.00 0.00 C ATOM 762 CD LYS A 49 -1.586 10.004 -11.962 1.00 0.00 C ATOM 763 CE LYS A 49 -2.490 10.587 -13.050 1.00 0.00 C ATOM 764 NZ LYS A 49 -2.909 11.962 -12.660 1.00 0.00 N ATOM 0 H LYS A 49 -2.659 8.398 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.775 6.570 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.215 8.981 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.386 7.925 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.345 7.989 -12.155 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.235 8.976 -11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.425 10.741 -11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.608 9.763 -12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.961 10.612 -14.003 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.366 9.953 -13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.524 12.360 -13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.429 11.924 -11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.068 12.563 -12.549 1.00 0.00 H new ATOM 778 N ALA A 50 -0.038 6.301 -8.464 1.00 0.00 N ATOM 779 CA ALA A 50 1.019 5.323 -8.088 1.00 0.00 C ATOM 780 C ALA A 50 0.375 4.067 -7.570 1.00 0.00 C ATOM 781 O ALA A 50 0.623 2.967 -8.029 1.00 0.00 O ATOM 782 CB ALA A 50 1.867 5.879 -6.951 1.00 0.00 C ATOM 0 H ALA A 50 0.063 7.231 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 50 1.630 5.127 -8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.637 5.155 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.338 6.809 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.234 6.071 -6.085 1.00 0.00 H new ATOM 788 N PHE A 51 -0.397 4.232 -6.557 1.00 0.00 N ATOM 789 CA PHE A 51 -1.014 3.074 -5.917 1.00 0.00 C ATOM 790 C PHE A 51 -2.145 2.478 -6.774 1.00 0.00 C ATOM 791 O PHE A 51 -2.703 1.458 -6.439 1.00 0.00 O ATOM 792 CB PHE A 51 -1.476 3.495 -4.512 1.00 0.00 C ATOM 793 CG PHE A 51 -2.983 3.514 -4.315 1.00 0.00 C ATOM 794 CD1 PHE A 51 -3.859 3.897 -5.331 1.00 0.00 C ATOM 795 CD2 PHE A 51 -3.495 3.122 -3.079 1.00 0.00 C ATOM 796 CE1 PHE A 51 -5.239 3.875 -5.112 1.00 0.00 C ATOM 797 CE2 PHE A 51 -4.870 3.109 -2.857 1.00 0.00 C ATOM 798 CZ PHE A 51 -5.743 3.480 -3.875 1.00 0.00 C ATOM 0 H PHE A 51 -0.629 5.134 -6.141 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.287 2.268 -5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.037 2.815 -3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.083 4.489 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.470 4.211 -6.288 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.821 2.826 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.915 4.165 -5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.259 2.811 -1.894 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.810 3.462 -3.706 1.00 0.00 H new ATOM 808 N THR A 52 -2.502 3.105 -7.872 1.00 0.00 N ATOM 809 CA THR A 52 -3.587 2.532 -8.726 1.00 0.00 C ATOM 810 C THR A 52 -2.939 1.462 -9.582 1.00 0.00 C ATOM 811 O THR A 52 -3.468 0.386 -9.756 1.00 0.00 O ATOM 812 CB THR A 52 -4.229 3.607 -9.628 1.00 0.00 C ATOM 813 OG1 THR A 52 -5.306 4.221 -8.931 1.00 0.00 O ATOM 814 CG2 THR A 52 -4.773 2.978 -10.916 1.00 0.00 C ATOM 0 H THR A 52 -2.094 3.977 -8.208 1.00 0.00 H new ATOM 0 HA THR A 52 -4.384 2.128 -8.101 1.00 0.00 H new ATOM 0 HB THR A 52 -3.469 4.345 -9.884 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.952 4.769 -8.199 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.221 3.753 -11.538 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.958 2.502 -11.461 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.527 2.232 -10.666 1.00 0.00 H new ATOM 822 N GLU A 53 -1.778 1.740 -10.100 1.00 0.00 N ATOM 823 CA GLU A 53 -1.092 0.705 -10.916 1.00 0.00 C ATOM 824 C GLU A 53 -0.475 -0.310 -9.958 1.00 0.00 C ATOM 825 O GLU A 53 -0.395 -1.486 -10.245 1.00 0.00 O ATOM 826 CB GLU A 53 0.003 1.351 -11.768 1.00 0.00 C ATOM 827 CG GLU A 53 -0.451 2.743 -12.214 1.00 0.00 C ATOM 828 CD GLU A 53 0.125 3.050 -13.597 1.00 0.00 C ATOM 829 OE1 GLU A 53 0.460 2.111 -14.300 1.00 0.00 O ATOM 830 OE2 GLU A 53 0.221 4.220 -13.930 1.00 0.00 O ATOM 0 H GLU A 53 -1.281 2.625 -9.996 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.801 0.216 -11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.928 1.425 -11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.215 0.730 -12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.540 2.790 -12.243 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.119 3.493 -11.496 1.00 0.00 H new ATOM 837 N CYS A 54 -0.049 0.150 -8.812 1.00 0.00 N ATOM 838 CA CYS A 54 0.564 -0.760 -7.803 1.00 0.00 C ATOM 839 C CYS A 54 -0.524 -1.591 -7.113 1.00 0.00 C ATOM 840 O CYS A 54 -0.335 -2.753 -6.807 1.00 0.00 O ATOM 841 CB CYS A 54 1.305 0.105 -6.774 1.00 0.00 C ATOM 842 SG CYS A 54 1.547 -0.802 -5.222 1.00 0.00 S ATOM 0 H CYS A 54 -0.101 1.129 -8.530 1.00 0.00 H new ATOM 0 HA CYS A 54 1.258 -1.448 -8.286 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.271 0.409 -7.177 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.738 1.016 -6.583 1.00 0.00 H new ATOM 847 N CYS A 55 -1.654 -1.004 -6.863 1.00 0.00 N ATOM 848 CA CYS A 55 -2.749 -1.751 -6.187 1.00 0.00 C ATOM 849 C CYS A 55 -3.418 -2.676 -7.203 1.00 0.00 C ATOM 850 O CYS A 55 -3.714 -3.823 -6.917 1.00 0.00 O ATOM 851 CB CYS A 55 -3.779 -0.771 -5.607 1.00 0.00 C ATOM 852 SG CYS A 55 -4.935 -1.683 -4.564 1.00 0.00 S ATOM 0 H CYS A 55 -1.870 -0.035 -7.097 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.338 -2.342 -5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.277 0.002 -5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.315 -0.268 -6.412 1.00 0.00 H new ATOM 857 N VAL A 56 -3.639 -2.192 -8.395 1.00 0.00 N ATOM 858 CA VAL A 56 -4.266 -3.049 -9.434 1.00 0.00 C ATOM 859 C VAL A 56 -3.336 -4.229 -9.698 1.00 0.00 C ATOM 860 O VAL A 56 -3.746 -5.373 -9.643 1.00 0.00 O ATOM 861 CB VAL A 56 -4.484 -2.253 -10.725 1.00 0.00 C ATOM 862 CG1 VAL A 56 -5.448 -1.097 -10.454 1.00 0.00 C ATOM 863 CG2 VAL A 56 -3.150 -1.694 -11.223 1.00 0.00 C ATOM 0 H VAL A 56 -3.412 -1.243 -8.691 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.238 -3.402 -9.088 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.904 -2.912 -11.485 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.604 -0.530 -11.372 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.402 -1.493 -10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.026 -0.443 -9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.312 -1.129 -12.141 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.724 -1.038 -10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.462 -2.516 -11.420 1.00 0.00 H new ATOM 873 N VAL A 57 -2.077 -3.975 -9.957 1.00 0.00 N ATOM 874 CA VAL A 57 -1.150 -5.114 -10.184 1.00 0.00 C ATOM 875 C VAL A 57 -1.194 -6.007 -8.950 1.00 0.00 C ATOM 876 O VAL A 57 -1.255 -7.214 -9.041 1.00 0.00 O ATOM 877 CB VAL A 57 0.281 -4.616 -10.387 1.00 0.00 C ATOM 878 CG1 VAL A 57 0.631 -3.606 -9.294 1.00 0.00 C ATOM 879 CG2 VAL A 57 1.237 -5.810 -10.302 1.00 0.00 C ATOM 0 H VAL A 57 -1.662 -3.045 -10.019 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.455 -5.659 -11.077 1.00 0.00 H new ATOM 0 HB VAL A 57 0.371 -4.136 -11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.651 -3.251 -9.439 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.057 -2.762 -9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.549 -4.083 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.262 -5.467 -10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.146 -6.280 -9.323 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.985 -6.534 -11.077 1.00 0.00 H new ATOM 889 N ALA A 58 -1.173 -5.420 -7.786 1.00 0.00 N ATOM 890 CA ALA A 58 -1.230 -6.244 -6.556 1.00 0.00 C ATOM 891 C ALA A 58 -2.391 -7.225 -6.689 1.00 0.00 C ATOM 892 O ALA A 58 -2.207 -8.384 -6.987 1.00 0.00 O ATOM 893 CB ALA A 58 -1.453 -5.341 -5.341 1.00 0.00 C ATOM 0 H ALA A 58 -1.119 -4.412 -7.638 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.294 -6.787 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.495 -5.950 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.632 -4.629 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.392 -4.800 -5.457 1.00 0.00 H new ATOM 899 N SER A 59 -3.587 -6.759 -6.483 1.00 0.00 N ATOM 900 CA SER A 59 -4.773 -7.657 -6.600 1.00 0.00 C ATOM 901 C SER A 59 -4.628 -8.580 -7.808 1.00 0.00 C ATOM 902 O SER A 59 -4.521 -9.781 -7.682 1.00 0.00 O ATOM 903 CB SER A 59 -6.032 -6.819 -6.800 1.00 0.00 C ATOM 904 OG SER A 59 -5.725 -5.443 -6.616 1.00 0.00 O ATOM 0 H SER A 59 -3.799 -5.792 -6.238 1.00 0.00 H new ATOM 0 HA SER A 59 -4.843 -8.249 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.434 -6.981 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.802 -7.128 -6.093 1.00 0.00 H new ATOM 0 HG SER A 59 -5.584 -5.264 -5.663 1.00 0.00 H new ATOM 910 N GLN A 60 -4.672 -8.019 -8.979 1.00 0.00 N ATOM 911 CA GLN A 60 -4.590 -8.834 -10.226 1.00 0.00 C ATOM 912 C GLN A 60 -3.428 -9.842 -10.186 1.00 0.00 C ATOM 913 O GLN A 60 -3.635 -11.035 -10.072 1.00 0.00 O ATOM 914 CB GLN A 60 -4.400 -7.899 -11.422 1.00 0.00 C ATOM 915 CG GLN A 60 -5.761 -7.590 -12.050 1.00 0.00 C ATOM 916 CD GLN A 60 -5.568 -6.692 -13.273 1.00 0.00 C ATOM 917 OE1 GLN A 60 -4.833 -7.030 -14.180 1.00 0.00 O ATOM 918 NE2 GLN A 60 -6.204 -5.555 -13.339 1.00 0.00 N ATOM 0 H GLN A 60 -4.763 -7.015 -9.131 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.518 -9.399 -10.316 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.917 -6.976 -11.102 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.744 -8.363 -12.159 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.258 -8.516 -12.340 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.406 -7.097 -11.322 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.821 -5.271 -12.578 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.084 -4.950 -14.152 1.00 0.00 H new ATOM 927 N LEU A 61 -2.213 -9.378 -10.324 1.00 0.00 N ATOM 928 CA LEU A 61 -1.040 -10.299 -10.347 1.00 0.00 C ATOM 929 C LEU A 61 -0.823 -10.973 -8.991 1.00 0.00 C ATOM 930 O LEU A 61 0.100 -11.737 -8.841 1.00 0.00 O ATOM 931 CB LEU A 61 0.197 -9.492 -10.824 1.00 0.00 C ATOM 932 CG LEU A 61 1.370 -9.592 -9.844 1.00 0.00 C ATOM 933 CD1 LEU A 61 2.175 -10.851 -10.141 1.00 0.00 C ATOM 934 CD2 LEU A 61 2.283 -8.378 -10.009 1.00 0.00 C ATOM 0 H LEU A 61 -1.982 -8.389 -10.423 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.219 -11.117 -11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.511 -9.857 -11.802 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.081 -8.445 -10.949 1.00 0.00 H new ATOM 0 HG LEU A 61 0.981 -9.628 -8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.010 -10.922 -9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.535 -11.726 -10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.557 -10.806 -11.161 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.117 -8.452 -9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.666 -8.347 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.719 -7.468 -9.805 1.00 0.00 H new ATOM 946 N ARG A 62 -1.654 -10.731 -8.012 1.00 0.00 N ATOM 947 CA ARG A 62 -1.460 -11.430 -6.709 1.00 0.00 C ATOM 948 C ARG A 62 -2.482 -12.560 -6.582 1.00 0.00 C ATOM 949 O ARG A 62 -2.270 -13.529 -5.881 1.00 0.00 O ATOM 950 CB ARG A 62 -1.621 -10.461 -5.535 1.00 0.00 C ATOM 951 CG ARG A 62 -0.419 -9.515 -5.478 1.00 0.00 C ATOM 952 CD ARG A 62 -0.641 -8.475 -4.378 1.00 0.00 C ATOM 953 NE ARG A 62 -0.898 -9.168 -3.085 1.00 0.00 N ATOM 954 CZ ARG A 62 -0.838 -8.506 -1.961 1.00 0.00 C ATOM 955 NH1 ARG A 62 -0.558 -7.230 -1.966 1.00 0.00 N ATOM 956 NH2 ARG A 62 -1.062 -9.118 -0.832 1.00 0.00 N ATOM 0 H ARG A 62 -2.446 -10.090 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.449 -11.836 -6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.542 -9.888 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.703 -11.017 -4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.493 -10.079 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.286 -9.020 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.234 -7.831 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.485 -7.834 -4.633 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.122 -10.163 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.386 -6.749 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.512 -6.715 -1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.284 -10.114 -0.827 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.015 -8.601 0.046 1.00 0.00 H new ATOM 970 N ALA A 63 -3.592 -12.443 -7.258 1.00 0.00 N ATOM 971 CA ALA A 63 -4.630 -13.506 -7.182 1.00 0.00 C ATOM 972 C ALA A 63 -4.356 -14.547 -8.265 1.00 0.00 C ATOM 973 O ALA A 63 -4.324 -15.734 -8.009 1.00 0.00 O ATOM 974 CB ALA A 63 -6.011 -12.885 -7.408 1.00 0.00 C ATOM 0 H ALA A 63 -3.824 -11.654 -7.861 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.603 -13.980 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.773 -13.662 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.202 -12.134 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.042 -12.416 -8.391 1.00 0.00 H new ATOM 980 N ASN A 64 -4.148 -14.104 -9.473 1.00 0.00 N ATOM 981 CA ASN A 64 -3.865 -15.059 -10.576 1.00 0.00 C ATOM 982 C ASN A 64 -2.381 -14.976 -10.936 1.00 0.00 C ATOM 983 O ASN A 64 -1.980 -15.352 -12.020 1.00 0.00 O ATOM 984 CB ASN A 64 -4.712 -14.699 -11.798 1.00 0.00 C ATOM 985 CG ASN A 64 -5.456 -15.944 -12.285 1.00 0.00 C ATOM 986 OD1 ASN A 64 -6.059 -16.651 -11.503 1.00 0.00 O ATOM 987 ND2 ASN A 64 -5.436 -16.246 -13.555 1.00 0.00 N ATOM 0 H ASN A 64 -4.162 -13.120 -9.743 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.111 -16.072 -10.259 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.423 -13.913 -11.543 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.076 -14.308 -12.592 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.927 -17.075 -13.890 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.930 -15.653 -14.212 1.00 0.00 H new ATOM 994 N ILE A 65 -1.577 -14.472 -10.027 1.00 0.00 N ATOM 995 CA ILE A 65 -0.101 -14.338 -10.279 1.00 0.00 C ATOM 996 C ILE A 65 0.376 -15.408 -11.265 1.00 0.00 C ATOM 997 O ILE A 65 0.588 -16.550 -10.906 1.00 0.00 O ATOM 998 CB ILE A 65 0.678 -14.496 -8.965 1.00 0.00 C ATOM 999 CG1 ILE A 65 -0.223 -14.142 -7.777 1.00 0.00 C ATOM 1000 CG2 ILE A 65 1.888 -13.561 -8.989 1.00 0.00 C ATOM 1001 CD1 ILE A 65 0.630 -13.883 -6.531 1.00 0.00 C ATOM 0 H ILE A 65 -1.883 -14.144 -9.111 1.00 0.00 H new ATOM 0 HA ILE A 65 0.080 -13.349 -10.700 1.00 0.00 H new ATOM 0 HB ILE A 65 1.010 -15.529 -8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.817 -13.259 -8.011 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.923 -14.955 -7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.448 -13.666 -8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.531 -13.819 -9.831 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.549 -12.530 -9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.019 -13.632 -5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.204 -14.778 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.312 -13.055 -6.723 1.00 0.00 H new ATOM 1013 N SER A 66 0.545 -15.043 -12.506 1.00 0.00 N ATOM 1014 CA SER A 66 1.008 -16.029 -13.522 1.00 0.00 C ATOM 1015 C SER A 66 1.334 -15.295 -14.822 1.00 0.00 C ATOM 1016 O SER A 66 2.280 -15.619 -15.512 1.00 0.00 O ATOM 1017 CB SER A 66 -0.098 -17.054 -13.778 1.00 0.00 C ATOM 1018 OG SER A 66 0.349 -17.993 -14.747 1.00 0.00 O ATOM 0 H SER A 66 0.382 -14.101 -12.861 1.00 0.00 H new ATOM 0 HA SER A 66 1.898 -16.541 -13.157 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.357 -17.566 -12.851 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.000 -16.553 -14.129 1.00 0.00 H new ATOM 0 HG SER A 66 -0.356 -18.653 -14.913 1.00 0.00 H new ATOM 1024 N HIS A 67 0.558 -14.302 -15.161 1.00 0.00 N ATOM 1025 CA HIS A 67 0.822 -13.541 -16.413 1.00 0.00 C ATOM 1026 C HIS A 67 1.858 -12.451 -16.132 1.00 0.00 C ATOM 1027 O HIS A 67 2.520 -12.462 -15.114 1.00 0.00 O ATOM 1028 CB HIS A 67 -0.479 -12.897 -16.901 1.00 0.00 C ATOM 1029 CG HIS A 67 -1.061 -13.723 -18.015 1.00 0.00 C ATOM 1030 ND1 HIS A 67 -2.065 -13.244 -18.842 1.00 0.00 N ATOM 1031 CD2 HIS A 67 -0.793 -14.997 -18.449 1.00 0.00 C ATOM 1032 CE1 HIS A 67 -2.362 -14.217 -19.724 1.00 0.00 C ATOM 1033 NE2 HIS A 67 -1.615 -15.308 -19.528 1.00 0.00 N ATOM 0 H HIS A 67 -0.249 -13.985 -14.623 1.00 0.00 H new ATOM 0 HA HIS A 67 1.202 -14.216 -17.180 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.191 -12.823 -16.079 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.287 -11.882 -17.249 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.056 -15.658 -18.018 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.112 -14.127 -20.496 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -1.642 -16.181 -20.056 1.00 0.00 H new ATOM 1041 N LYS A 68 2.005 -11.510 -17.024 1.00 0.00 N ATOM 1042 CA LYS A 68 2.999 -10.424 -16.801 1.00 0.00 C ATOM 1043 C LYS A 68 2.471 -9.459 -15.737 1.00 0.00 C ATOM 1044 O LYS A 68 1.279 -9.304 -15.563 1.00 0.00 O ATOM 1045 CB LYS A 68 3.230 -9.665 -18.108 1.00 0.00 C ATOM 1046 CG LYS A 68 4.397 -10.300 -18.868 1.00 0.00 C ATOM 1047 CD LYS A 68 5.564 -9.313 -18.932 1.00 0.00 C ATOM 1048 CE LYS A 68 5.510 -8.541 -20.251 1.00 0.00 C ATOM 1049 NZ LYS A 68 5.900 -7.122 -20.012 1.00 0.00 N ATOM 0 H LYS A 68 1.480 -11.447 -17.896 1.00 0.00 H new ATOM 0 HA LYS A 68 3.940 -10.858 -16.463 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.328 -9.689 -18.719 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.445 -8.617 -17.899 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.711 -11.218 -18.372 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.083 -10.573 -19.875 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.515 -8.621 -18.091 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.511 -9.847 -18.850 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.181 -8.996 -20.979 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.505 -8.587 -20.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.864 -6.596 -20.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.242 -6.691 -19.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.866 -7.087 -19.629 1.00 0.00 H new ATOM 1063 N ASP A 69 3.350 -8.810 -15.023 1.00 0.00 N ATOM 1064 CA ASP A 69 2.897 -7.856 -13.972 1.00 0.00 C ATOM 1065 C ASP A 69 2.454 -6.547 -14.629 1.00 0.00 C ATOM 1066 O ASP A 69 2.228 -6.486 -15.821 1.00 0.00 O ATOM 1067 CB ASP A 69 4.052 -7.576 -13.007 1.00 0.00 C ATOM 1068 CG ASP A 69 5.254 -7.044 -13.789 1.00 0.00 C ATOM 1069 OD1 ASP A 69 5.141 -5.969 -14.353 1.00 0.00 O ATOM 1070 OD2 ASP A 69 6.268 -7.722 -13.810 1.00 0.00 O ATOM 0 H ASP A 69 4.361 -8.899 -15.122 1.00 0.00 H new ATOM 0 HA ASP A 69 2.061 -8.289 -13.423 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.744 -6.849 -12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.325 -8.488 -12.476 1.00 0.00 H new ATOM 1075 N MET A 70 2.327 -5.499 -13.862 1.00 0.00 N ATOM 1076 CA MET A 70 1.897 -4.197 -14.445 1.00 0.00 C ATOM 1077 C MET A 70 2.726 -3.061 -13.839 1.00 0.00 C ATOM 1078 O MET A 70 3.564 -2.475 -14.494 1.00 0.00 O ATOM 1079 CB MET A 70 0.415 -3.965 -14.143 1.00 0.00 C ATOM 1080 CG MET A 70 -0.157 -2.961 -15.145 1.00 0.00 C ATOM 1081 SD MET A 70 -0.357 -3.761 -16.756 1.00 0.00 S ATOM 1082 CE MET A 70 0.753 -2.678 -17.688 1.00 0.00 C ATOM 0 H MET A 70 2.502 -5.488 -12.857 1.00 0.00 H new ATOM 0 HA MET A 70 2.049 -4.218 -15.524 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.131 -4.906 -14.203 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.294 -3.590 -13.127 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.118 -2.586 -14.792 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.507 -2.102 -15.234 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.921 -3.097 -18.680 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.303 -1.690 -17.783 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.705 -2.594 -17.163 1.00 0.00 H new ATOM 1092 N CYS A 71 2.495 -2.742 -12.594 1.00 0.00 N ATOM 1093 CA CYS A 71 3.267 -1.639 -11.953 1.00 0.00 C ATOM 1094 C CYS A 71 3.861 -2.124 -10.628 1.00 0.00 C ATOM 1095 O CYS A 71 4.946 -1.680 -10.293 1.00 0.00 O ATOM 1096 CB CYS A 71 2.335 -0.448 -11.706 1.00 0.00 C ATOM 1097 SG CYS A 71 2.727 0.858 -12.895 1.00 0.00 S ATOM 1098 OXT CYS A 71 3.226 -2.935 -9.977 1.00 0.00 O ATOM 0 H CYS A 71 1.807 -3.196 -11.994 1.00 0.00 H new ATOM 0 HA CYS A 71 4.080 -1.331 -12.611 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.295 -0.755 -11.812 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.456 -0.079 -10.687 1.00 0.00 H new TER 1103 CYS A 71 ATOM 1104 N CYS B 72 2.739 4.065 -11.766 1.00 0.00 N ATOM 1105 CA CYS B 72 3.047 3.599 -10.382 1.00 0.00 C ATOM 1106 C CYS B 72 4.023 4.566 -9.712 1.00 0.00 C ATOM 1107 O CYS B 72 3.636 5.483 -9.019 1.00 0.00 O ATOM 1108 CB CYS B 72 3.695 2.218 -10.398 1.00 0.00 C ATOM 1109 SG CYS B 72 4.296 1.805 -12.057 1.00 0.00 S ATOM 0 HA CYS B 72 2.106 3.556 -9.834 1.00 0.00 H new ATOM 0 HB2 CYS B 72 4.523 2.192 -9.690 1.00 0.00 H new ATOM 0 HB3 CYS B 72 2.973 1.469 -10.071 1.00 0.00 H new ATOM 1116 N LEU B 73 5.295 4.347 -9.908 1.00 0.00 N ATOM 1117 CA LEU B 73 6.316 5.226 -9.278 1.00 0.00 C ATOM 1118 C LEU B 73 5.859 6.687 -9.327 1.00 0.00 C ATOM 1119 O LEU B 73 5.086 7.077 -10.179 1.00 0.00 O ATOM 1120 CB LEU B 73 7.644 5.083 -10.026 1.00 0.00 C ATOM 1121 CG LEU B 73 8.701 5.969 -9.365 1.00 0.00 C ATOM 1122 CD1 LEU B 73 10.063 5.273 -9.428 1.00 0.00 C ATOM 1123 CD2 LEU B 73 8.778 7.307 -10.105 1.00 0.00 C ATOM 0 H LEU B 73 5.671 3.592 -10.481 1.00 0.00 H new ATOM 0 HA LEU B 73 6.445 4.929 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU B 73 7.969 4.043 -10.016 1.00 0.00 H new ATOM 0 HB3 LEU B 73 7.517 5.368 -11.071 1.00 0.00 H new ATOM 0 HG LEU B 73 8.430 6.143 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU B 73 10.816 5.904 -8.957 1.00 0.00 H new ATOM 0 HD12 LEU B 73 10.009 4.319 -8.903 1.00 0.00 H new ATOM 0 HD13 LEU B 73 10.335 5.099 -10.469 1.00 0.00 H new ATOM 0 HD21 LEU B 73 9.531 7.940 -9.635 1.00 0.00 H new ATOM 0 HD22 LEU B 73 9.049 7.132 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU B 73 7.808 7.803 -10.061 1.00 0.00 H new ATOM 1135 N GLY B 74 6.332 7.496 -8.418 1.00 0.00 N ATOM 1136 CA GLY B 74 5.926 8.930 -8.410 1.00 0.00 C ATOM 1137 C GLY B 74 7.163 9.811 -8.233 1.00 0.00 C ATOM 1138 O GLY B 74 8.258 9.327 -8.024 1.00 0.00 O ATOM 0 H GLY B 74 6.982 7.225 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY B 74 5.419 9.180 -9.342 1.00 0.00 H new ATOM 0 HA3 GLY B 74 5.217 9.114 -7.602 1.00 0.00 H new HETATM 1142 N DAR B 75 6.998 11.103 -8.313 1.00 0.00 N HETATM 1143 CA DAR B 75 8.164 12.016 -8.148 1.00 0.00 C HETATM 1144 CB DAR B 75 8.772 11.817 -6.759 1.00 0.00 C HETATM 1145 CG DAR B 75 10.261 12.166 -6.802 1.00 0.00 C HETATM 1146 CD DAR B 75 10.825 12.181 -5.380 1.00 0.00 C HETATM 1147 NE DAR B 75 11.149 13.588 -4.986 1.00 0.00 N HETATM 1148 CZ DAR B 75 11.846 14.370 -5.770 1.00 0.00 C HETATM 1149 NH1 DAR B 75 11.997 15.629 -5.456 1.00 0.00 N HETATM 1150 NH2 DAR B 75 12.442 13.894 -6.832 1.00 0.00 N HETATM 1151 C DAR B 75 7.700 13.466 -8.295 1.00 0.00 C HETATM 1152 O DAR B 75 8.553 14.328 -8.432 1.00 0.00 O HETATM 1153 OXT DAR B 75 6.501 13.689 -8.270 1.00 0.00 O HETATM 0 HH22 DAR B 75 12.982 14.515 -7.435 1.00 0.00 H new HETATM 0 HH21 DAR B 75 12.367 12.902 -7.058 1.00 0.00 H new HETATM 0 HH12 DAR B 75 12.539 16.244 -6.062 1.00 0.00 H new HETATM 0 HH11 DAR B 75 11.573 15.997 -4.604 1.00 0.00 H new HETATM 0 HG3 DAR B 75 10.798 11.438 -7.410 1.00 0.00 H new HETATM 0 HG2 DAR B 75 10.403 13.140 -7.271 1.00 0.00 H new HETATM 0 HE DAR B 75 10.820 13.944 -4.089 1.00 0.00 H new HETATM 0 HD3 DAR B 75 10.101 11.755 -4.686 1.00 0.00 H new HETATM 0 HD2 DAR B 75 11.720 11.562 -5.326 1.00 0.00 H new HETATM 0 HB3 DAR B 75 8.260 12.448 -6.032 1.00 0.00 H new HETATM 0 HB2 DAR B 75 8.638 10.785 -6.436 1.00 0.00 H new HETATM 0 HA DAR B 75 8.911 11.793 -8.910 1.00 0.00 H new TER 1167 DAR B 75