USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -150:sc= -2.39! (180deg=-3.46!) USER MOD Single : A 1 SER OG : rot 27:sc= 0.204 USER MOD Single : A 2 SER OG : rot 180:sc= -0.824 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.226) USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.271) USER MOD Single : A 13 ASN : amide:sc= -1.49! C(o=-1.5!,f=-9.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 135:sc= 0.631 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 171:sc= -0.22 USER MOD Single : A 36 GLN : amide:sc= -9.02! C(o=-9!,f=-6.1!) USER MOD Single : A 41 LYS NZ :NH3+ 158:sc=-0.000487 (180deg=-0.583) USER MOD Single : A 51 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.7!) USER MOD Single : A 55 ASN : amide:sc= -8.51! C(o=-8.5!,f=-7.8!) USER MOD Single : A 60 THR OG1 : rot -67:sc= 0.997 USER MOD Single : A 61 SER OG : rot 170:sc= -0.911 USER MOD Single : A 62 CYS SG : rot -97:sc= 0.338 USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -1.73! (180deg=-1.76!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.914 -11.965 0.529 1.00 0.00 N ATOM 2 CA SER A 1 -7.255 -11.360 0.296 1.00 0.00 C ATOM 3 C SER A 1 -7.414 -10.118 1.175 1.00 0.00 C ATOM 4 O SER A 1 -6.457 -9.601 1.714 1.00 0.00 O ATOM 5 CB SER A 1 -8.342 -12.377 0.648 1.00 0.00 C ATOM 6 OG SER A 1 -9.601 -11.890 0.201 1.00 0.00 O ATOM 0 H1 SER A 1 -5.591 -12.438 -0.339 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.237 -11.219 0.790 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.976 -12.661 1.299 1.00 0.00 H new ATOM 0 HA SER A 1 -7.349 -11.077 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.123 -13.337 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.365 -12.544 1.725 1.00 0.00 H new ATOM 0 HG SER A 1 -9.467 -11.289 -0.561 1.00 0.00 H new ATOM 11 N SER A 2 -8.618 -9.637 1.324 1.00 0.00 N ATOM 12 CA SER A 2 -8.840 -8.429 2.168 1.00 0.00 C ATOM 13 C SER A 2 -7.891 -7.316 1.731 1.00 0.00 C ATOM 14 O SER A 2 -7.591 -6.419 2.491 1.00 0.00 O ATOM 15 CB SER A 2 -8.568 -8.772 3.637 1.00 0.00 C ATOM 16 OG SER A 2 -8.220 -10.146 3.741 1.00 0.00 O ATOM 0 H SER A 2 -9.458 -10.029 0.898 1.00 0.00 H new ATOM 0 HA SER A 2 -9.872 -8.097 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.761 -8.150 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.451 -8.562 4.241 1.00 0.00 H new ATOM 0 HG SER A 2 -8.044 -10.369 4.679 1.00 0.00 H new ATOM 22 N ALA A 3 -7.412 -7.356 0.523 1.00 0.00 N ATOM 23 CA ALA A 3 -6.486 -6.286 0.076 1.00 0.00 C ATOM 24 C ALA A 3 -7.280 -5.016 -0.199 1.00 0.00 C ATOM 25 O ALA A 3 -6.814 -3.914 0.027 1.00 0.00 O ATOM 26 CB ALA A 3 -5.765 -6.720 -1.193 1.00 0.00 C ATOM 0 H ALA A 3 -7.619 -8.077 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.750 -6.097 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.087 -5.929 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.195 -7.628 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.496 -6.914 -1.978 1.00 0.00 H new ATOM 32 N LYS A 4 -8.490 -5.156 -0.658 1.00 0.00 N ATOM 33 CA LYS A 4 -9.319 -3.955 -0.916 1.00 0.00 C ATOM 34 C LYS A 4 -9.880 -3.493 0.429 1.00 0.00 C ATOM 35 O LYS A 4 -10.000 -2.314 0.699 1.00 0.00 O ATOM 36 CB LYS A 4 -10.448 -4.312 -1.892 1.00 0.00 C ATOM 37 CG LYS A 4 -11.575 -3.274 -1.801 1.00 0.00 C ATOM 38 CD LYS A 4 -12.320 -3.203 -3.142 1.00 0.00 C ATOM 39 CE LYS A 4 -11.446 -2.505 -4.198 1.00 0.00 C ATOM 40 NZ LYS A 4 -12.153 -1.292 -4.697 1.00 0.00 N ATOM 0 H LYS A 4 -8.938 -6.049 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.732 -3.155 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.060 -4.350 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.838 -5.304 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.267 -3.543 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.163 -2.296 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.576 -4.208 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.257 -2.660 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.485 -2.228 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.240 -3.186 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.565 -0.817 -5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.060 -1.570 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.328 -0.642 -3.905 1.00 0.00 H new ATOM 54 N ARG A 5 -10.195 -4.427 1.285 1.00 0.00 N ATOM 55 CA ARG A 5 -10.720 -4.072 2.632 1.00 0.00 C ATOM 56 C ARG A 5 -9.646 -3.289 3.383 1.00 0.00 C ATOM 57 O ARG A 5 -9.888 -2.223 3.912 1.00 0.00 O ATOM 58 CB ARG A 5 -11.007 -5.358 3.407 1.00 0.00 C ATOM 59 CG ARG A 5 -11.803 -5.048 4.689 1.00 0.00 C ATOM 60 CD ARG A 5 -10.849 -4.916 5.882 1.00 0.00 C ATOM 61 NE ARG A 5 -11.640 -4.746 7.133 1.00 0.00 N ATOM 62 CZ ARG A 5 -11.069 -4.912 8.294 1.00 0.00 C ATOM 63 NH1 ARG A 5 -9.804 -5.224 8.361 1.00 0.00 N ATOM 64 NH2 ARG A 5 -11.763 -4.764 9.389 1.00 0.00 N ATOM 0 H ARG A 5 -10.110 -5.428 1.106 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.629 -3.479 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.570 -6.049 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.070 -5.852 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.368 -4.125 4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.527 -5.841 4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.217 -5.801 5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.186 -4.062 5.739 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.628 -4.500 7.082 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.261 -5.338 7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.358 -5.354 9.269 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.752 -4.519 9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.317 -4.894 10.297 1.00 0.00 H new ATOM 78 N VAL A 6 -8.459 -3.824 3.431 1.00 0.00 N ATOM 79 CA VAL A 6 -7.357 -3.132 4.144 1.00 0.00 C ATOM 80 C VAL A 6 -7.161 -1.761 3.487 1.00 0.00 C ATOM 81 O VAL A 6 -6.942 -0.763 4.145 1.00 0.00 O ATOM 82 CB VAL A 6 -6.086 -4.009 4.048 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.144 -3.510 2.948 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.353 -4.024 5.400 1.00 0.00 C ATOM 0 H VAL A 6 -8.206 -4.715 3.004 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.582 -2.981 5.200 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.396 -5.022 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.261 -4.148 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.658 -3.540 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.841 -2.486 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.460 -4.644 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.067 -3.007 5.670 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.012 -4.431 6.167 1.00 0.00 H new ATOM 94 N PHE A 7 -7.265 -1.718 2.191 1.00 0.00 N ATOM 95 CA PHE A 7 -7.116 -0.416 1.487 1.00 0.00 C ATOM 96 C PHE A 7 -8.228 0.522 1.973 1.00 0.00 C ATOM 97 O PHE A 7 -7.979 1.656 2.333 1.00 0.00 O ATOM 98 CB PHE A 7 -7.201 -0.620 -0.033 1.00 0.00 C ATOM 99 CG PHE A 7 -7.391 0.701 -0.767 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.237 1.939 -0.117 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.739 0.684 -2.121 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.436 3.128 -0.815 1.00 0.00 C ATOM 103 CE2 PHE A 7 -7.942 1.883 -2.808 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.792 3.102 -2.151 1.00 0.00 C ATOM 0 H PHE A 7 -7.446 -2.523 1.591 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.143 0.022 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.292 -1.106 -0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.030 -1.288 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.963 1.968 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.851 -0.258 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.312 4.075 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.216 1.865 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.954 4.027 -2.685 1.00 0.00 H new ATOM 114 N GLU A 8 -9.449 0.073 2.021 1.00 0.00 N ATOM 115 CA GLU A 8 -10.529 0.977 2.507 1.00 0.00 C ATOM 116 C GLU A 8 -10.078 1.603 3.828 1.00 0.00 C ATOM 117 O GLU A 8 -10.165 2.797 4.026 1.00 0.00 O ATOM 118 CB GLU A 8 -11.812 0.174 2.728 1.00 0.00 C ATOM 119 CG GLU A 8 -12.436 -0.176 1.376 1.00 0.00 C ATOM 120 CD GLU A 8 -13.670 -1.054 1.594 1.00 0.00 C ATOM 121 OE1 GLU A 8 -14.702 -0.511 1.955 1.00 0.00 O ATOM 122 OE2 GLU A 8 -13.562 -2.253 1.397 1.00 0.00 O ATOM 0 H GLU A 8 -9.745 -0.865 1.750 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.724 1.757 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.592 -0.737 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.516 0.752 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.714 0.735 0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.710 -0.699 0.753 1.00 0.00 H new ATOM 129 N LYS A 9 -9.597 0.801 4.729 1.00 0.00 N ATOM 130 CA LYS A 9 -9.139 1.339 6.039 1.00 0.00 C ATOM 131 C LYS A 9 -8.069 2.416 5.809 1.00 0.00 C ATOM 132 O LYS A 9 -7.996 3.395 6.526 1.00 0.00 O ATOM 133 CB LYS A 9 -8.552 0.193 6.879 1.00 0.00 C ATOM 134 CG LYS A 9 -9.243 0.137 8.248 1.00 0.00 C ATOM 135 CD LYS A 9 -8.850 1.366 9.075 1.00 0.00 C ATOM 136 CE LYS A 9 -9.941 1.655 10.109 1.00 0.00 C ATOM 137 NZ LYS A 9 -10.150 0.449 10.961 1.00 0.00 N ATOM 0 H LYS A 9 -9.500 -0.208 4.617 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.982 1.783 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.683 -0.755 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.480 0.339 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.325 0.104 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.957 -0.774 8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.897 1.192 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.715 2.229 8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.655 2.505 10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.870 1.925 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.677 0.716 11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.691 -0.262 10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.228 0.051 11.232 1.00 0.00 H new ATOM 151 N PHE A 10 -7.225 2.234 4.827 1.00 0.00 N ATOM 152 CA PHE A 10 -6.148 3.235 4.566 1.00 0.00 C ATOM 153 C PHE A 10 -6.615 4.302 3.590 1.00 0.00 C ATOM 154 O PHE A 10 -6.015 5.351 3.508 1.00 0.00 O ATOM 155 CB PHE A 10 -4.931 2.512 4.012 1.00 0.00 C ATOM 156 CG PHE A 10 -4.663 1.293 4.870 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.679 1.407 6.270 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.392 0.056 4.275 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.427 0.286 7.068 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.137 -1.065 5.079 1.00 0.00 C ATOM 161 CZ PHE A 10 -4.156 -0.950 6.474 1.00 0.00 C ATOM 0 H PHE A 10 -7.235 1.434 4.194 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.892 3.734 5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.105 2.216 2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.065 3.174 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.886 2.361 6.731 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.379 -0.036 3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.442 0.376 8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.925 -2.020 4.620 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.962 -1.815 7.091 1.00 0.00 H new ATOM 171 N ASP A 11 -7.668 4.075 2.849 1.00 0.00 N ATOM 172 CA ASP A 11 -8.125 5.135 1.911 1.00 0.00 C ATOM 173 C ASP A 11 -8.205 6.451 2.676 1.00 0.00 C ATOM 174 O ASP A 11 -9.257 6.932 3.045 1.00 0.00 O ATOM 175 CB ASP A 11 -9.494 4.767 1.326 1.00 0.00 C ATOM 176 CG ASP A 11 -10.562 4.819 2.422 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.197 4.992 3.573 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.727 4.686 2.090 1.00 0.00 O ATOM 0 H ASP A 11 -8.220 3.218 2.853 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.422 5.233 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.752 5.456 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.456 3.769 0.890 1.00 0.00 H new ATOM 183 N LYS A 12 -7.071 7.032 2.892 1.00 0.00 N ATOM 184 CA LYS A 12 -6.988 8.319 3.611 1.00 0.00 C ATOM 185 C LYS A 12 -7.277 9.438 2.615 1.00 0.00 C ATOM 186 O LYS A 12 -7.488 10.581 2.971 1.00 0.00 O ATOM 187 CB LYS A 12 -5.579 8.419 4.183 1.00 0.00 C ATOM 188 CG LYS A 12 -4.902 9.726 3.782 1.00 0.00 C ATOM 189 CD LYS A 12 -3.529 9.776 4.453 1.00 0.00 C ATOM 190 CE LYS A 12 -2.504 10.404 3.506 1.00 0.00 C ATOM 191 NZ LYS A 12 -2.977 11.753 3.085 1.00 0.00 N ATOM 0 H LYS A 12 -6.171 6.657 2.591 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.710 8.396 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.621 8.349 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.983 7.577 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.798 9.784 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.507 10.578 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.587 10.355 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.213 8.770 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.537 10.485 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.362 9.768 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.181 12.292 2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.719 11.651 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.362 12.258 3.908 1.00 0.00 H new ATOM 205 N ASN A 13 -7.330 9.083 1.367 1.00 0.00 N ATOM 206 CA ASN A 13 -7.652 10.071 0.294 1.00 0.00 C ATOM 207 C ASN A 13 -8.955 9.639 -0.397 1.00 0.00 C ATOM 208 O ASN A 13 -9.301 10.136 -1.450 1.00 0.00 O ATOM 209 CB ASN A 13 -6.515 10.100 -0.730 1.00 0.00 C ATOM 210 CG ASN A 13 -6.196 8.671 -1.174 1.00 0.00 C ATOM 211 OD1 ASN A 13 -6.968 7.763 -0.940 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.080 8.432 -1.807 1.00 0.00 N ATOM 0 H ASN A 13 -7.162 8.134 1.034 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.771 11.065 0.725 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.801 10.705 -1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.630 10.564 -0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.856 7.483 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.432 9.195 -2.003 1.00 0.00 H new ATOM 219 N LYS A 14 -9.669 8.710 0.203 1.00 0.00 N ATOM 220 CA LYS A 14 -10.952 8.219 -0.398 1.00 0.00 C ATOM 221 C LYS A 14 -10.872 8.409 -1.910 1.00 0.00 C ATOM 222 O LYS A 14 -11.716 9.019 -2.533 1.00 0.00 O ATOM 223 CB LYS A 14 -12.124 9.020 0.168 1.00 0.00 C ATOM 224 CG LYS A 14 -11.958 9.175 1.684 1.00 0.00 C ATOM 225 CD LYS A 14 -13.326 9.429 2.334 1.00 0.00 C ATOM 226 CE LYS A 14 -14.003 8.093 2.654 1.00 0.00 C ATOM 227 NZ LYS A 14 -15.318 8.349 3.306 1.00 0.00 N ATOM 0 H LYS A 14 -9.415 8.270 1.087 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.104 7.166 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.169 10.001 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.064 8.515 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.507 8.276 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.282 10.002 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.203 10.013 3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.955 10.015 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.144 7.516 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.368 7.499 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.780 7.443 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.171 8.883 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.923 8.900 2.664 1.00 0.00 H new ATOM 241 N ASP A 15 -9.804 7.927 -2.471 1.00 0.00 N ATOM 242 CA ASP A 15 -9.568 8.103 -3.919 1.00 0.00 C ATOM 243 C ASP A 15 -9.638 6.774 -4.645 1.00 0.00 C ATOM 244 O ASP A 15 -9.923 6.743 -5.826 1.00 0.00 O ATOM 245 CB ASP A 15 -8.185 8.718 -4.134 1.00 0.00 C ATOM 246 CG ASP A 15 -8.060 9.201 -5.580 1.00 0.00 C ATOM 247 OD1 ASP A 15 -8.912 8.846 -6.378 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.114 9.916 -5.865 1.00 0.00 O ATOM 0 H ASP A 15 -9.076 7.411 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.341 8.760 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.035 9.551 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.411 7.982 -3.917 1.00 0.00 H new ATOM 253 N GLY A 16 -9.327 5.674 -4.012 1.00 0.00 N ATOM 254 CA GLY A 16 -9.327 4.395 -4.762 1.00 0.00 C ATOM 255 C GLY A 16 -7.884 4.150 -5.116 1.00 0.00 C ATOM 256 O GLY A 16 -7.541 3.288 -5.898 1.00 0.00 O ATOM 0 H GLY A 16 -9.078 5.610 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.728 3.582 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.947 4.462 -5.656 1.00 0.00 H new ATOM 260 N LYS A 17 -7.034 4.912 -4.477 1.00 0.00 N ATOM 261 CA LYS A 17 -5.584 4.778 -4.671 1.00 0.00 C ATOM 262 C LYS A 17 -4.860 5.219 -3.418 1.00 0.00 C ATOM 263 O LYS A 17 -5.282 6.102 -2.698 1.00 0.00 O ATOM 264 CB LYS A 17 -5.088 5.635 -5.810 1.00 0.00 C ATOM 265 CG LYS A 17 -5.779 5.259 -7.130 1.00 0.00 C ATOM 266 CD LYS A 17 -6.924 6.237 -7.411 1.00 0.00 C ATOM 267 CE LYS A 17 -6.353 7.532 -7.996 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.146 7.364 -9.463 1.00 0.00 N ATOM 0 H LYS A 17 -7.306 5.637 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.386 3.730 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.273 6.685 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.009 5.517 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.059 5.283 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.164 4.241 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.634 5.792 -8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.470 6.450 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.035 8.361 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.409 7.778 -7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.758 8.243 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.480 6.583 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.055 7.148 -9.919 1.00 0.00 H new ATOM 282 N LEU A 18 -3.754 4.604 -3.183 1.00 0.00 N ATOM 283 CA LEU A 18 -2.927 4.938 -2.011 1.00 0.00 C ATOM 284 C LEU A 18 -1.593 5.457 -2.443 1.00 0.00 C ATOM 285 O LEU A 18 -1.110 5.160 -3.500 1.00 0.00 O ATOM 286 CB LEU A 18 -2.669 3.723 -1.200 1.00 0.00 C ATOM 287 CG LEU A 18 -3.479 3.773 0.065 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.959 3.717 -0.220 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.055 2.599 0.916 1.00 0.00 C ATOM 0 H LEU A 18 -3.376 3.861 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.468 5.688 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.926 2.832 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.608 3.653 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.299 4.714 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.512 3.755 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.242 4.566 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.194 2.789 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.622 2.600 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.245 1.671 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.991 2.677 1.140 1.00 0.00 H new ATOM 301 N SER A 19 -0.977 6.178 -1.585 1.00 0.00 N ATOM 302 CA SER A 19 0.365 6.698 -1.866 1.00 0.00 C ATOM 303 C SER A 19 1.326 5.862 -1.054 1.00 0.00 C ATOM 304 O SER A 19 0.969 5.337 -0.018 1.00 0.00 O ATOM 305 CB SER A 19 0.457 8.139 -1.405 1.00 0.00 C ATOM 306 OG SER A 19 -0.784 8.791 -1.641 1.00 0.00 O ATOM 0 H SER A 19 -1.355 6.438 -0.674 1.00 0.00 H new ATOM 0 HA SER A 19 0.590 6.654 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.705 8.178 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.257 8.652 -1.938 1.00 0.00 H new ATOM 0 HG SER A 19 -0.726 9.722 -1.342 1.00 0.00 H new ATOM 312 N LEU A 20 2.533 5.727 -1.484 1.00 0.00 N ATOM 313 CA LEU A 20 3.472 4.925 -0.693 1.00 0.00 C ATOM 314 C LEU A 20 3.394 5.444 0.718 1.00 0.00 C ATOM 315 O LEU A 20 3.711 4.779 1.678 1.00 0.00 O ATOM 316 CB LEU A 20 4.870 5.133 -1.249 1.00 0.00 C ATOM 317 CG LEU A 20 5.861 4.221 -0.541 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.267 4.809 0.799 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.244 2.844 -0.308 1.00 0.00 C ATOM 0 H LEU A 20 2.907 6.134 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 20 3.236 3.861 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.877 4.928 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.168 6.174 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 20 6.741 4.126 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.976 4.142 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.733 5.782 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.384 4.926 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.965 2.203 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.351 2.945 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.974 2.399 -1.266 1.00 0.00 H new ATOM 331 N ASP A 21 2.917 6.630 0.815 1.00 0.00 N ATOM 332 CA ASP A 21 2.730 7.271 2.134 1.00 0.00 C ATOM 333 C ASP A 21 1.579 6.581 2.879 1.00 0.00 C ATOM 334 O ASP A 21 1.718 6.248 4.039 1.00 0.00 O ATOM 335 CB ASP A 21 2.415 8.759 1.956 1.00 0.00 C ATOM 336 CG ASP A 21 2.697 9.501 3.264 1.00 0.00 C ATOM 337 OD1 ASP A 21 3.854 9.573 3.645 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.751 9.985 3.864 1.00 0.00 O ATOM 0 H ASP A 21 2.639 7.204 0.019 1.00 0.00 H new ATOM 0 HA ASP A 21 3.648 7.173 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.021 9.176 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.371 8.889 1.670 1.00 0.00 H new ATOM 343 N GLU A 22 0.436 6.340 2.254 1.00 0.00 N ATOM 344 CA GLU A 22 -0.653 5.662 2.998 1.00 0.00 C ATOM 345 C GLU A 22 -0.206 4.231 3.258 1.00 0.00 C ATOM 346 O GLU A 22 -0.409 3.676 4.318 1.00 0.00 O ATOM 347 CB GLU A 22 -1.927 5.653 2.163 1.00 0.00 C ATOM 348 CG GLU A 22 -2.517 7.062 2.086 1.00 0.00 C ATOM 349 CD GLU A 22 -3.843 7.025 1.324 1.00 0.00 C ATOM 350 OE1 GLU A 22 -4.700 6.246 1.702 1.00 0.00 O ATOM 351 OE2 GLU A 22 -3.978 7.781 0.375 1.00 0.00 O ATOM 0 H GLU A 22 0.228 6.582 1.285 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.857 6.183 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.711 5.286 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.654 4.970 2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.674 7.456 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.818 7.733 1.586 1.00 0.00 H new ATOM 358 N PHE A 23 0.433 3.652 2.284 1.00 0.00 N ATOM 359 CA PHE A 23 0.946 2.285 2.409 1.00 0.00 C ATOM 360 C PHE A 23 2.152 2.293 3.371 1.00 0.00 C ATOM 361 O PHE A 23 2.477 1.287 3.965 1.00 0.00 O ATOM 362 CB PHE A 23 1.360 1.795 1.037 1.00 0.00 C ATOM 363 CG PHE A 23 1.718 0.333 1.094 1.00 0.00 C ATOM 364 CD1 PHE A 23 0.723 -0.626 1.305 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.046 -0.059 0.933 1.00 0.00 C ATOM 366 CE1 PHE A 23 1.062 -1.983 1.356 1.00 0.00 C ATOM 367 CE2 PHE A 23 3.388 -1.414 0.982 1.00 0.00 C ATOM 368 CZ PHE A 23 2.396 -2.378 1.194 1.00 0.00 C ATOM 0 H PHE A 23 0.621 4.093 1.384 1.00 0.00 H new ATOM 0 HA PHE A 23 0.181 1.618 2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.548 1.951 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.212 2.372 0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.305 -0.320 1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.812 0.685 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.295 -2.725 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.417 -1.716 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.659 -3.425 1.233 1.00 0.00 H new ATOM 378 N ARG A 24 2.806 3.429 3.558 1.00 0.00 N ATOM 379 CA ARG A 24 3.954 3.481 4.524 1.00 0.00 C ATOM 380 C ARG A 24 3.382 3.578 5.934 1.00 0.00 C ATOM 381 O ARG A 24 3.935 3.075 6.882 1.00 0.00 O ATOM 382 CB ARG A 24 4.841 4.706 4.264 1.00 0.00 C ATOM 383 CG ARG A 24 6.294 4.364 4.613 1.00 0.00 C ATOM 384 CD ARG A 24 7.072 5.648 4.883 1.00 0.00 C ATOM 385 NE ARG A 24 6.491 6.344 6.065 1.00 0.00 N ATOM 386 CZ ARG A 24 7.161 7.292 6.660 1.00 0.00 C ATOM 387 NH1 ARG A 24 8.345 7.625 6.224 1.00 0.00 N ATOM 388 NH2 ARG A 24 6.650 7.906 7.691 1.00 0.00 N ATOM 0 H ARG A 24 2.593 4.308 3.087 1.00 0.00 H new ATOM 0 HA ARG A 24 4.563 2.585 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.767 5.007 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.500 5.550 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.325 3.717 5.490 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.755 3.813 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.122 5.418 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.034 6.299 4.010 1.00 0.00 H new ATOM 0 HE ARG A 24 5.568 6.079 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.746 7.144 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.870 8.366 6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.725 7.645 8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.175 8.647 8.155 1.00 0.00 H new ATOM 402 N GLU A 25 2.234 4.173 6.053 1.00 0.00 N ATOM 403 CA GLU A 25 1.577 4.237 7.385 1.00 0.00 C ATOM 404 C GLU A 25 1.062 2.828 7.608 1.00 0.00 C ATOM 405 O GLU A 25 1.129 2.258 8.675 1.00 0.00 O ATOM 406 CB GLU A 25 0.416 5.234 7.361 1.00 0.00 C ATOM 407 CG GLU A 25 0.958 6.655 7.542 1.00 0.00 C ATOM 408 CD GLU A 25 1.479 6.826 8.969 1.00 0.00 C ATOM 409 OE1 GLU A 25 0.667 7.048 9.853 1.00 0.00 O ATOM 410 OE2 GLU A 25 2.681 6.734 9.156 1.00 0.00 O ATOM 0 H GLU A 25 1.722 4.617 5.290 1.00 0.00 H new ATOM 0 HA GLU A 25 2.253 4.568 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.124 5.157 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.294 5.001 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.758 6.844 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.172 7.383 7.341 1.00 0.00 H new ATOM 417 N VAL A 26 0.590 2.276 6.537 1.00 0.00 N ATOM 418 CA VAL A 26 0.072 0.888 6.486 1.00 0.00 C ATOM 419 C VAL A 26 1.189 -0.089 6.815 1.00 0.00 C ATOM 420 O VAL A 26 1.019 -1.052 7.536 1.00 0.00 O ATOM 421 CB VAL A 26 -0.311 0.682 5.021 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.032 -0.734 4.529 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.755 1.007 4.787 1.00 0.00 C ATOM 0 H VAL A 26 0.539 2.761 5.641 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.750 0.731 7.184 1.00 0.00 H new ATOM 0 HB VAL A 26 0.318 1.367 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.324 -0.820 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.032 -0.950 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.604 -1.445 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.997 0.851 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.378 0.359 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.941 2.048 5.051 1.00 0.00 H new ATOM 433 N ALA A 27 2.318 0.149 6.230 1.00 0.00 N ATOM 434 CA ALA A 27 3.473 -0.754 6.412 1.00 0.00 C ATOM 435 C ALA A 27 4.139 -0.485 7.760 1.00 0.00 C ATOM 436 O ALA A 27 4.503 -1.389 8.485 1.00 0.00 O ATOM 437 CB ALA A 27 4.471 -0.511 5.276 1.00 0.00 C ATOM 0 H ALA A 27 2.493 0.948 5.621 1.00 0.00 H new ATOM 0 HA ALA A 27 3.138 -1.791 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.329 -1.172 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.990 -0.714 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.805 0.526 5.301 1.00 0.00 H new ATOM 443 N LEU A 28 4.299 0.760 8.089 1.00 0.00 N ATOM 444 CA LEU A 28 4.941 1.119 9.381 1.00 0.00 C ATOM 445 C LEU A 28 3.984 0.800 10.531 1.00 0.00 C ATOM 446 O LEU A 28 4.404 0.462 11.620 1.00 0.00 O ATOM 447 CB LEU A 28 5.263 2.618 9.402 1.00 0.00 C ATOM 448 CG LEU A 28 6.576 2.914 8.649 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.750 1.988 7.438 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.553 4.365 8.158 1.00 0.00 C ATOM 0 H LEU A 28 4.011 1.553 7.515 1.00 0.00 H new ATOM 0 HA LEU A 28 5.861 0.546 9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.445 3.175 8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.346 2.961 10.433 1.00 0.00 H new ATOM 0 HG LEU A 28 7.407 2.747 9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.685 2.224 6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.771 0.951 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.918 2.130 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.478 4.583 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.705 4.509 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.460 5.036 9.012 1.00 0.00 H new ATOM 462 N ALA A 29 2.702 0.917 10.309 1.00 0.00 N ATOM 463 CA ALA A 29 1.719 0.640 11.394 1.00 0.00 C ATOM 464 C ALA A 29 1.496 -0.867 11.594 1.00 0.00 C ATOM 465 O ALA A 29 1.702 -1.399 12.666 1.00 0.00 O ATOM 466 CB ALA A 29 0.390 1.283 11.004 1.00 0.00 C ATOM 0 H ALA A 29 2.292 1.194 9.417 1.00 0.00 H new ATOM 0 HA ALA A 29 2.108 1.049 12.327 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.348 1.094 11.784 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.527 2.358 10.886 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.042 0.856 10.063 1.00 0.00 H new ATOM 472 N PHE A 30 1.026 -1.546 10.578 1.00 0.00 N ATOM 473 CA PHE A 30 0.729 -3.006 10.712 1.00 0.00 C ATOM 474 C PHE A 30 2.015 -3.818 10.897 1.00 0.00 C ATOM 475 O PHE A 30 2.124 -4.616 11.807 1.00 0.00 O ATOM 476 CB PHE A 30 -0.007 -3.487 9.451 1.00 0.00 C ATOM 477 CG PHE A 30 -1.366 -4.039 9.826 1.00 0.00 C ATOM 478 CD1 PHE A 30 -2.327 -3.198 10.398 1.00 0.00 C ATOM 479 CD2 PHE A 30 -1.660 -5.391 9.604 1.00 0.00 C ATOM 480 CE1 PHE A 30 -3.585 -3.708 10.746 1.00 0.00 C ATOM 481 CE2 PHE A 30 -2.918 -5.899 9.953 1.00 0.00 C ATOM 482 CZ PHE A 30 -3.880 -5.057 10.524 1.00 0.00 C ATOM 0 H PHE A 30 0.834 -1.151 9.657 1.00 0.00 H new ATOM 0 HA PHE A 30 0.105 -3.155 11.593 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.122 -2.661 8.749 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.580 -4.255 8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.099 -2.157 10.571 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.918 -6.041 9.164 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.327 -3.059 11.186 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.146 -6.941 9.782 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.850 -5.449 10.793 1.00 0.00 H new ATOM 492 N SER A 31 2.983 -3.631 10.045 1.00 0.00 N ATOM 493 CA SER A 31 4.252 -4.404 10.173 1.00 0.00 C ATOM 494 C SER A 31 5.437 -3.442 10.051 1.00 0.00 C ATOM 495 O SER A 31 5.902 -3.165 8.963 1.00 0.00 O ATOM 496 CB SER A 31 4.322 -5.443 9.055 1.00 0.00 C ATOM 497 OG SER A 31 3.982 -4.829 7.819 1.00 0.00 O ATOM 0 H SER A 31 2.952 -2.976 9.264 1.00 0.00 H new ATOM 0 HA SER A 31 4.286 -4.907 11.140 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.325 -5.867 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.639 -6.266 9.265 1.00 0.00 H new ATOM 0 HG SER A 31 4.616 -5.112 7.128 1.00 0.00 H new ATOM 503 N PRO A 32 5.918 -2.918 11.153 1.00 0.00 N ATOM 504 CA PRO A 32 7.054 -1.957 11.141 1.00 0.00 C ATOM 505 C PRO A 32 8.356 -2.593 10.656 1.00 0.00 C ATOM 506 O PRO A 32 9.343 -1.916 10.450 1.00 0.00 O ATOM 507 CB PRO A 32 7.180 -1.498 12.601 1.00 0.00 C ATOM 508 CG PRO A 32 6.512 -2.557 13.414 1.00 0.00 C ATOM 509 CD PRO A 32 5.440 -3.185 12.522 1.00 0.00 C ATOM 0 HA PRO A 32 6.870 -1.135 10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.226 -1.385 12.888 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.702 -0.530 12.750 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.233 -3.307 13.740 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.067 -2.131 14.313 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.340 -4.254 12.709 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.462 -2.738 12.698 1.00 0.00 H new ATOM 517 N TYR A 33 8.379 -3.885 10.466 1.00 0.00 N ATOM 518 CA TYR A 33 9.630 -4.535 9.994 1.00 0.00 C ATOM 519 C TYR A 33 9.802 -4.290 8.491 1.00 0.00 C ATOM 520 O TYR A 33 10.843 -4.568 7.930 1.00 0.00 O ATOM 521 CB TYR A 33 9.554 -6.040 10.266 1.00 0.00 C ATOM 522 CG TYR A 33 8.831 -6.279 11.572 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.179 -5.544 12.712 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.811 -7.238 11.643 1.00 0.00 C ATOM 525 CE1 TYR A 33 8.508 -5.766 13.921 1.00 0.00 C ATOM 526 CE2 TYR A 33 7.142 -7.460 12.852 1.00 0.00 C ATOM 527 CZ TYR A 33 7.490 -6.724 13.991 1.00 0.00 C ATOM 528 OH TYR A 33 6.829 -6.944 15.183 1.00 0.00 O ATOM 0 H TYR A 33 7.590 -4.513 10.617 1.00 0.00 H new ATOM 0 HA TYR A 33 10.483 -4.113 10.526 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.032 -6.542 9.451 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.557 -6.464 10.310 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.965 -4.806 12.659 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.541 -7.806 10.765 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.776 -5.198 14.800 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.357 -8.200 12.906 1.00 0.00 H new ATOM 0 HH TYR A 33 6.151 -7.641 15.057 1.00 0.00 H new ATOM 538 N PHE A 34 8.802 -3.763 7.833 1.00 0.00 N ATOM 539 CA PHE A 34 8.953 -3.505 6.372 1.00 0.00 C ATOM 540 C PHE A 34 10.001 -2.446 6.179 1.00 0.00 C ATOM 541 O PHE A 34 9.906 -1.350 6.695 1.00 0.00 O ATOM 542 CB PHE A 34 7.642 -2.997 5.747 1.00 0.00 C ATOM 543 CG PHE A 34 6.805 -4.144 5.246 1.00 0.00 C ATOM 544 CD1 PHE A 34 6.133 -4.952 6.159 1.00 0.00 C ATOM 545 CD2 PHE A 34 6.700 -4.395 3.871 1.00 0.00 C ATOM 546 CE1 PHE A 34 5.350 -6.020 5.708 1.00 0.00 C ATOM 547 CE2 PHE A 34 5.918 -5.465 3.418 1.00 0.00 C ATOM 548 CZ PHE A 34 5.245 -6.278 4.336 1.00 0.00 C ATOM 0 H PHE A 34 7.902 -3.504 8.237 1.00 0.00 H new ATOM 0 HA PHE A 34 9.231 -4.442 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.079 -2.427 6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.866 -2.318 4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.216 -4.754 7.217 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.220 -3.766 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.827 -6.645 6.417 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.835 -5.662 2.359 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.644 -7.105 3.986 1.00 0.00 H new ATOM 558 N THR A 35 11.003 -2.758 5.431 1.00 0.00 N ATOM 559 CA THR A 35 12.044 -1.759 5.205 1.00 0.00 C ATOM 560 C THR A 35 11.556 -0.775 4.168 1.00 0.00 C ATOM 561 O THR A 35 10.898 -1.124 3.210 1.00 0.00 O ATOM 562 CB THR A 35 13.322 -2.436 4.738 1.00 0.00 C ATOM 563 OG1 THR A 35 13.096 -3.832 4.588 1.00 0.00 O ATOM 564 CG2 THR A 35 14.377 -2.195 5.795 1.00 0.00 C ATOM 0 H THR A 35 11.142 -3.658 4.971 1.00 0.00 H new ATOM 0 HA THR A 35 12.260 -1.230 6.133 1.00 0.00 H new ATOM 0 HB THR A 35 13.645 -2.034 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.871 -4.244 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.311 -2.669 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.535 -1.123 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.046 -2.619 6.743 1.00 0.00 H new ATOM 572 N GLN A 36 11.866 0.452 4.373 1.00 0.00 N ATOM 573 CA GLN A 36 11.424 1.491 3.434 1.00 0.00 C ATOM 574 C GLN A 36 11.867 1.135 2.023 1.00 0.00 C ATOM 575 O GLN A 36 11.242 1.510 1.063 1.00 0.00 O ATOM 576 CB GLN A 36 12.055 2.801 3.862 1.00 0.00 C ATOM 577 CG GLN A 36 11.355 3.970 3.161 1.00 0.00 C ATOM 578 CD GLN A 36 9.836 3.838 3.277 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.323 3.428 4.299 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.091 4.177 2.263 1.00 0.00 N ATOM 0 H GLN A 36 12.416 0.788 5.164 1.00 0.00 H new ATOM 0 HA GLN A 36 10.337 1.574 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 36 11.979 2.915 4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.117 2.801 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.678 4.912 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.644 3.996 2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.523 4.521 1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.076 4.098 2.327 1.00 0.00 H new ATOM 589 N GLU A 37 12.937 0.403 1.903 1.00 0.00 N ATOM 590 CA GLU A 37 13.427 0.012 0.550 1.00 0.00 C ATOM 591 C GLU A 37 12.529 -1.092 -0.016 1.00 0.00 C ATOM 592 O GLU A 37 12.252 -1.128 -1.197 1.00 0.00 O ATOM 593 CB GLU A 37 14.866 -0.498 0.652 1.00 0.00 C ATOM 594 CG GLU A 37 15.797 0.667 0.988 1.00 0.00 C ATOM 595 CD GLU A 37 17.245 0.173 1.016 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.700 -0.323 -0.001 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.873 0.298 2.055 1.00 0.00 O ATOM 0 H GLU A 37 13.496 0.057 2.683 1.00 0.00 H new ATOM 0 HA GLU A 37 13.399 0.878 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.937 -1.267 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.167 -0.959 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.686 1.460 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.529 1.094 1.954 1.00 0.00 H new ATOM 604 N ASP A 38 12.066 -1.989 0.813 1.00 0.00 N ATOM 605 CA ASP A 38 11.181 -3.075 0.306 1.00 0.00 C ATOM 606 C ASP A 38 9.802 -2.493 -0.010 1.00 0.00 C ATOM 607 O ASP A 38 9.151 -2.885 -0.958 1.00 0.00 O ATOM 608 CB ASP A 38 11.045 -4.165 1.371 1.00 0.00 C ATOM 609 CG ASP A 38 12.437 -4.622 1.815 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.316 -3.781 1.897 1.00 0.00 O ATOM 611 OD2 ASP A 38 12.598 -5.805 2.065 1.00 0.00 O ATOM 0 H ASP A 38 12.261 -2.016 1.814 1.00 0.00 H new ATOM 0 HA ASP A 38 11.612 -3.507 -0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.486 -3.785 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.483 -5.010 0.972 1.00 0.00 H new ATOM 616 N ILE A 39 9.355 -1.557 0.782 1.00 0.00 N ATOM 617 CA ILE A 39 8.020 -0.941 0.541 1.00 0.00 C ATOM 618 C ILE A 39 8.091 -0.040 -0.689 1.00 0.00 C ATOM 619 O ILE A 39 7.221 -0.050 -1.525 1.00 0.00 O ATOM 620 CB ILE A 39 7.623 -0.087 1.748 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.841 -0.874 3.036 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.148 0.289 1.649 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.115 0.088 4.208 1.00 0.00 C ATOM 0 H ILE A 39 9.860 -1.191 1.589 1.00 0.00 H new ATOM 0 HA ILE A 39 7.285 -1.731 0.386 1.00 0.00 H new ATOM 0 HB ILE A 39 8.237 0.813 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.962 -1.482 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.680 -1.559 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.869 0.897 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.978 0.856 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.542 -0.617 1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.269 -0.486 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.007 0.677 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.263 0.755 4.338 1.00 0.00 H new ATOM 635 N VAL A 40 9.117 0.753 -0.778 1.00 0.00 N ATOM 636 CA VAL A 40 9.260 1.671 -1.931 1.00 0.00 C ATOM 637 C VAL A 40 9.686 0.897 -3.161 1.00 0.00 C ATOM 638 O VAL A 40 9.208 1.144 -4.242 1.00 0.00 O ATOM 639 CB VAL A 40 10.281 2.722 -1.588 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.783 3.467 -0.361 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.619 2.062 -1.314 1.00 0.00 C ATOM 0 H VAL A 40 9.870 0.803 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 40 8.305 2.150 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 40 10.416 3.421 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.503 4.238 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.822 3.931 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.667 2.768 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.357 2.825 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.519 1.369 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.944 1.517 -2.200 1.00 0.00 H new ATOM 651 N LYS A 41 10.555 -0.060 -3.030 1.00 0.00 N ATOM 652 CA LYS A 41 10.923 -0.826 -4.239 1.00 0.00 C ATOM 653 C LYS A 41 9.635 -1.456 -4.743 1.00 0.00 C ATOM 654 O LYS A 41 9.229 -1.266 -5.870 1.00 0.00 O ATOM 655 CB LYS A 41 11.929 -1.923 -3.879 1.00 0.00 C ATOM 656 CG LYS A 41 12.321 -2.690 -5.143 1.00 0.00 C ATOM 657 CD LYS A 41 13.351 -3.769 -4.790 1.00 0.00 C ATOM 658 CE LYS A 41 13.397 -4.818 -5.904 1.00 0.00 C ATOM 659 NZ LYS A 41 13.359 -4.139 -7.231 1.00 0.00 N ATOM 0 H LYS A 41 11.014 -0.338 -2.162 1.00 0.00 H new ATOM 0 HA LYS A 41 11.382 -0.186 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.814 -1.483 -3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.494 -2.604 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.439 -3.147 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.736 -2.005 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.335 -3.318 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.089 -4.241 -3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.303 -5.417 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.553 -5.501 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.754 -4.771 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.375 -3.906 -7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.921 -3.265 -7.190 1.00 0.00 H new ATOM 673 N PHE A 42 8.988 -2.208 -3.898 1.00 0.00 N ATOM 674 CA PHE A 42 7.720 -2.870 -4.287 1.00 0.00 C ATOM 675 C PHE A 42 6.647 -1.825 -4.636 1.00 0.00 C ATOM 676 O PHE A 42 5.979 -1.940 -5.643 1.00 0.00 O ATOM 677 CB PHE A 42 7.250 -3.746 -3.124 1.00 0.00 C ATOM 678 CG PHE A 42 6.277 -4.776 -3.648 1.00 0.00 C ATOM 679 CD1 PHE A 42 4.961 -4.411 -3.955 1.00 0.00 C ATOM 680 CD2 PHE A 42 6.697 -6.100 -3.833 1.00 0.00 C ATOM 681 CE1 PHE A 42 4.067 -5.370 -4.446 1.00 0.00 C ATOM 682 CE2 PHE A 42 5.803 -7.057 -4.325 1.00 0.00 C ATOM 683 CZ PHE A 42 4.486 -6.692 -4.631 1.00 0.00 C ATOM 0 H PHE A 42 9.291 -2.392 -2.942 1.00 0.00 H new ATOM 0 HA PHE A 42 7.886 -3.485 -5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.102 -4.237 -2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.774 -3.133 -2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.636 -3.391 -3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 42 7.712 -6.382 -3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.051 -5.089 -4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.128 -8.077 -4.469 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.795 -7.430 -5.009 1.00 0.00 H new ATOM 693 N PHE A 43 6.472 -0.805 -3.833 1.00 0.00 N ATOM 694 CA PHE A 43 5.438 0.225 -4.164 1.00 0.00 C ATOM 695 C PHE A 43 5.828 0.890 -5.478 1.00 0.00 C ATOM 696 O PHE A 43 5.056 0.973 -6.413 1.00 0.00 O ATOM 697 CB PHE A 43 5.425 1.260 -3.055 1.00 0.00 C ATOM 698 CG PHE A 43 4.572 2.452 -3.428 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.034 3.402 -4.345 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.334 2.632 -2.813 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.254 4.524 -4.635 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.561 3.753 -3.108 1.00 0.00 C ATOM 703 CZ PHE A 43 3.021 4.700 -4.015 1.00 0.00 C ATOM 0 H PHE A 43 6.994 -0.641 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 43 4.451 -0.228 -4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.044 0.810 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.444 1.589 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.991 3.268 -4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.973 1.900 -2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.609 5.258 -5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.602 3.886 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.423 5.571 -4.238 1.00 0.00 H new ATOM 713 N GLU A 44 7.047 1.330 -5.548 1.00 0.00 N ATOM 714 CA GLU A 44 7.531 1.959 -6.804 1.00 0.00 C ATOM 715 C GLU A 44 7.282 0.957 -7.935 1.00 0.00 C ATOM 716 O GLU A 44 6.941 1.313 -9.045 1.00 0.00 O ATOM 717 CB GLU A 44 9.028 2.265 -6.698 1.00 0.00 C ATOM 718 CG GLU A 44 9.259 3.351 -5.639 1.00 0.00 C ATOM 719 CD GLU A 44 9.129 4.734 -6.282 1.00 0.00 C ATOM 720 OE1 GLU A 44 9.801 4.970 -7.273 1.00 0.00 O ATOM 721 OE2 GLU A 44 8.359 5.533 -5.772 1.00 0.00 O ATOM 0 H GLU A 44 7.730 1.282 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 44 7.009 2.897 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.576 1.361 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.411 2.597 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.535 3.245 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.249 3.237 -5.197 1.00 0.00 H new ATOM 728 N GLU A 45 7.446 -0.304 -7.634 1.00 0.00 N ATOM 729 CA GLU A 45 7.225 -1.374 -8.625 1.00 0.00 C ATOM 730 C GLU A 45 5.731 -1.640 -8.808 1.00 0.00 C ATOM 731 O GLU A 45 5.277 -1.977 -9.883 1.00 0.00 O ATOM 732 CB GLU A 45 7.859 -2.649 -8.087 1.00 0.00 C ATOM 733 CG GLU A 45 7.908 -3.688 -9.200 1.00 0.00 C ATOM 734 CD GLU A 45 7.601 -5.079 -8.635 1.00 0.00 C ATOM 735 OE1 GLU A 45 8.224 -5.447 -7.653 1.00 0.00 O ATOM 736 OE2 GLU A 45 6.750 -5.750 -9.195 1.00 0.00 O ATOM 0 H GLU A 45 7.732 -0.636 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 45 7.658 -1.072 -9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.864 -2.443 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.283 -3.029 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.186 -3.435 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.893 -3.686 -9.667 1.00 0.00 H new ATOM 743 N ILE A 46 4.966 -1.525 -7.754 1.00 0.00 N ATOM 744 CA ILE A 46 3.511 -1.812 -7.868 1.00 0.00 C ATOM 745 C ILE A 46 2.765 -0.562 -8.333 1.00 0.00 C ATOM 746 O ILE A 46 1.860 -0.644 -9.137 1.00 0.00 O ATOM 747 CB ILE A 46 2.973 -2.315 -6.517 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.996 -3.470 -6.763 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.248 -1.202 -5.773 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.756 -4.713 -7.248 1.00 0.00 C ATOM 0 H ILE A 46 5.286 -1.246 -6.826 1.00 0.00 H new ATOM 0 HA ILE A 46 3.351 -2.593 -8.611 1.00 0.00 H new ATOM 0 HB ILE A 46 3.815 -2.650 -5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.455 -3.700 -5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.254 -3.176 -7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.877 -1.582 -4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.937 -0.377 -5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.410 -0.848 -6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.051 -5.527 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.276 -4.482 -8.178 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.481 -5.014 -6.492 1.00 0.00 H new ATOM 762 N ASP A 47 3.155 0.599 -7.886 1.00 0.00 N ATOM 763 CA ASP A 47 2.467 1.819 -8.380 1.00 0.00 C ATOM 764 C ASP A 47 2.807 1.913 -9.859 1.00 0.00 C ATOM 765 O ASP A 47 3.717 2.615 -10.254 1.00 0.00 O ATOM 766 CB ASP A 47 2.987 3.055 -7.642 1.00 0.00 C ATOM 767 CG ASP A 47 2.368 4.311 -8.255 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.669 4.181 -9.247 1.00 0.00 O ATOM 769 OD2 ASP A 47 2.601 5.383 -7.723 1.00 0.00 O ATOM 0 H ASP A 47 3.906 0.753 -7.213 1.00 0.00 H new ATOM 0 HA ASP A 47 1.391 1.769 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.736 2.992 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.074 3.102 -7.710 1.00 0.00 H new ATOM 774 N VAL A 48 2.123 1.167 -10.677 1.00 0.00 N ATOM 775 CA VAL A 48 2.424 1.139 -12.142 1.00 0.00 C ATOM 776 C VAL A 48 1.912 2.360 -12.881 1.00 0.00 C ATOM 777 O VAL A 48 2.369 2.679 -13.960 1.00 0.00 O ATOM 778 CB VAL A 48 1.665 -0.046 -12.730 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.168 0.093 -12.403 1.00 0.00 C ATOM 780 CG2 VAL A 48 1.837 -0.058 -14.250 1.00 0.00 C ATOM 0 H VAL A 48 1.353 0.563 -10.391 1.00 0.00 H new ATOM 0 HA VAL A 48 3.507 1.090 -12.253 1.00 0.00 H new ATOM 0 HB VAL A 48 2.055 -0.971 -12.305 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.376 -0.753 -12.823 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.032 0.112 -11.322 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.214 1.019 -12.833 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.295 -0.905 -14.671 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.444 0.869 -14.668 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.895 -0.147 -14.496 1.00 0.00 H new ATOM 790 N ASP A 49 0.933 2.996 -12.360 1.00 0.00 N ATOM 791 CA ASP A 49 0.351 4.143 -13.090 1.00 0.00 C ATOM 792 C ASP A 49 1.271 5.341 -12.939 1.00 0.00 C ATOM 793 O ASP A 49 1.188 6.303 -13.676 1.00 0.00 O ATOM 794 CB ASP A 49 -1.052 4.409 -12.541 1.00 0.00 C ATOM 795 CG ASP A 49 -1.168 5.847 -12.036 1.00 0.00 C ATOM 796 OD1 ASP A 49 -0.651 6.115 -10.965 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.769 6.654 -12.726 1.00 0.00 O ATOM 0 H ASP A 49 0.502 2.781 -11.461 1.00 0.00 H new ATOM 0 HA ASP A 49 0.259 3.933 -14.156 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.793 4.230 -13.320 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.269 3.714 -11.730 1.00 0.00 H new ATOM 802 N GLY A 50 2.177 5.269 -12.017 1.00 0.00 N ATOM 803 CA GLY A 50 3.148 6.365 -11.834 1.00 0.00 C ATOM 804 C GLY A 50 2.498 7.604 -11.218 1.00 0.00 C ATOM 805 O GLY A 50 3.110 8.651 -11.140 1.00 0.00 O ATOM 0 H GLY A 50 2.286 4.485 -11.374 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.962 6.026 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.587 6.626 -12.797 1.00 0.00 H new ATOM 809 N ASN A 51 1.286 7.508 -10.750 1.00 0.00 N ATOM 810 CA ASN A 51 0.661 8.699 -10.120 1.00 0.00 C ATOM 811 C ASN A 51 1.218 8.802 -8.710 1.00 0.00 C ATOM 812 O ASN A 51 0.858 9.669 -7.939 1.00 0.00 O ATOM 813 CB ASN A 51 -0.861 8.538 -10.064 1.00 0.00 C ATOM 814 CG ASN A 51 -1.492 9.828 -9.540 1.00 0.00 C ATOM 815 OD1 ASN A 51 -0.883 10.879 -9.586 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.697 9.796 -9.040 1.00 0.00 N ATOM 0 H ASN A 51 0.709 6.668 -10.776 1.00 0.00 H new ATOM 0 HA ASN A 51 0.882 9.596 -10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.250 8.308 -11.056 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.125 7.702 -9.416 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.126 10.652 -8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.210 8.915 -9.001 1.00 0.00 H new ATOM 823 N GLY A 52 2.106 7.905 -8.375 1.00 0.00 N ATOM 824 CA GLY A 52 2.708 7.920 -7.022 1.00 0.00 C ATOM 825 C GLY A 52 1.729 7.304 -6.027 1.00 0.00 C ATOM 826 O GLY A 52 1.763 7.596 -4.849 1.00 0.00 O ATOM 0 H GLY A 52 2.438 7.161 -8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.644 7.361 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.947 8.942 -6.729 1.00 0.00 H new ATOM 830 N GLU A 53 0.827 6.475 -6.494 1.00 0.00 N ATOM 831 CA GLU A 53 -0.172 5.874 -5.563 1.00 0.00 C ATOM 832 C GLU A 53 -0.532 4.449 -5.980 1.00 0.00 C ATOM 833 O GLU A 53 -0.419 4.073 -7.130 1.00 0.00 O ATOM 834 CB GLU A 53 -1.448 6.739 -5.561 1.00 0.00 C ATOM 835 CG GLU A 53 -1.111 8.171 -5.994 1.00 0.00 C ATOM 836 CD GLU A 53 -2.379 9.025 -5.949 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.308 8.710 -6.674 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.399 9.981 -5.190 1.00 0.00 O ATOM 0 H GLU A 53 0.741 6.192 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 53 0.266 5.839 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.189 6.311 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.891 6.746 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.351 8.593 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.695 8.170 -7.002 1.00 0.00 H new ATOM 845 N LEU A 54 -0.973 3.653 -5.036 1.00 0.00 N ATOM 846 CA LEU A 54 -1.353 2.261 -5.346 1.00 0.00 C ATOM 847 C LEU A 54 -2.739 2.230 -5.958 1.00 0.00 C ATOM 848 O LEU A 54 -3.708 2.624 -5.352 1.00 0.00 O ATOM 849 CB LEU A 54 -1.435 1.469 -4.056 1.00 0.00 C ATOM 850 CG LEU A 54 -0.073 1.286 -3.400 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.089 1.423 -4.402 1.00 0.00 C ATOM 852 CD2 LEU A 54 0.026 2.309 -2.300 1.00 0.00 C ATOM 0 H LEU A 54 -1.083 3.921 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.613 1.845 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.104 1.978 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.871 0.491 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 54 0.012 0.275 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.037 1.284 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.988 0.667 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.065 2.415 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.990 2.214 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.066 3.309 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.774 2.146 -1.578 1.00 0.00 H new ATOM 864 N ASN A 55 -2.834 1.745 -7.144 1.00 0.00 N ATOM 865 CA ASN A 55 -4.171 1.665 -7.797 1.00 0.00 C ATOM 866 C ASN A 55 -4.915 0.444 -7.266 1.00 0.00 C ATOM 867 O ASN A 55 -4.398 -0.318 -6.474 1.00 0.00 O ATOM 868 CB ASN A 55 -4.050 1.556 -9.321 1.00 0.00 C ATOM 869 CG ASN A 55 -2.614 1.229 -9.716 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.679 1.828 -9.221 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.400 0.298 -10.599 1.00 0.00 N ATOM 0 H ASN A 55 -2.053 1.397 -7.700 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.717 2.579 -7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.722 0.781 -9.691 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.358 2.493 -9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.446 0.069 -10.878 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.186 -0.203 -11.013 1.00 0.00 H new ATOM 878 N ALA A 56 -6.133 0.270 -7.693 1.00 0.00 N ATOM 879 CA ALA A 56 -6.964 -0.876 -7.212 1.00 0.00 C ATOM 880 C ALA A 56 -6.333 -2.235 -7.588 1.00 0.00 C ATOM 881 O ALA A 56 -6.035 -3.046 -6.725 1.00 0.00 O ATOM 882 CB ALA A 56 -8.366 -0.718 -7.802 1.00 0.00 C ATOM 0 H ALA A 56 -6.598 0.880 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.018 -0.865 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.996 -1.542 -7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.796 0.227 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.306 -0.726 -8.890 1.00 0.00 H new ATOM 888 N ASP A 57 -6.126 -2.522 -8.841 1.00 0.00 N ATOM 889 CA ASP A 57 -5.524 -3.849 -9.190 1.00 0.00 C ATOM 890 C ASP A 57 -4.139 -3.982 -8.538 1.00 0.00 C ATOM 891 O ASP A 57 -3.768 -5.029 -8.018 1.00 0.00 O ATOM 892 CB ASP A 57 -5.383 -3.958 -10.709 1.00 0.00 C ATOM 893 CG ASP A 57 -5.086 -5.409 -11.091 1.00 0.00 C ATOM 894 OD1 ASP A 57 -6.029 -6.177 -11.198 1.00 0.00 O ATOM 895 OD2 ASP A 57 -3.921 -5.728 -11.270 1.00 0.00 O ATOM 0 H ASP A 57 -6.341 -1.912 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.171 -4.645 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.299 -3.623 -11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.581 -3.307 -11.058 1.00 0.00 H new ATOM 900 N GLU A 58 -3.379 -2.927 -8.540 1.00 0.00 N ATOM 901 CA GLU A 58 -2.033 -2.986 -7.920 1.00 0.00 C ATOM 902 C GLU A 58 -2.218 -3.100 -6.415 1.00 0.00 C ATOM 903 O GLU A 58 -1.421 -3.694 -5.722 1.00 0.00 O ATOM 904 CB GLU A 58 -1.236 -1.727 -8.278 1.00 0.00 C ATOM 905 CG GLU A 58 -0.773 -1.803 -9.736 1.00 0.00 C ATOM 906 CD GLU A 58 0.166 -2.996 -9.935 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.328 -4.072 -10.227 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.364 -2.812 -9.798 1.00 0.00 O ATOM 0 H GLU A 58 -3.633 -2.026 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.476 -3.847 -8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.852 -0.841 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.374 -1.631 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.637 -1.898 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.262 -0.880 -10.011 1.00 0.00 H new ATOM 915 N PHE A 59 -3.286 -2.549 -5.911 1.00 0.00 N ATOM 916 CA PHE A 59 -3.556 -2.638 -4.455 1.00 0.00 C ATOM 917 C PHE A 59 -3.561 -4.106 -4.053 1.00 0.00 C ATOM 918 O PHE A 59 -2.993 -4.496 -3.054 1.00 0.00 O ATOM 919 CB PHE A 59 -4.959 -2.112 -4.176 1.00 0.00 C ATOM 920 CG PHE A 59 -4.925 -0.716 -3.661 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.228 -0.412 -2.496 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.604 0.277 -4.351 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.220 0.895 -2.032 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.592 1.568 -3.900 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.907 1.888 -2.745 1.00 0.00 C ATOM 0 H PHE A 59 -3.985 -2.039 -6.450 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.802 -2.069 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.551 -2.149 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.453 -2.757 -3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.699 -1.185 -1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.146 0.029 -5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.688 1.147 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.118 2.336 -4.447 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.900 2.908 -2.389 1.00 0.00 H new ATOM 935 N THR A 60 -4.206 -4.928 -4.837 1.00 0.00 N ATOM 936 CA THR A 60 -4.252 -6.375 -4.510 1.00 0.00 C ATOM 937 C THR A 60 -2.841 -6.921 -4.576 1.00 0.00 C ATOM 938 O THR A 60 -2.401 -7.647 -3.709 1.00 0.00 O ATOM 939 CB THR A 60 -5.150 -7.088 -5.515 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.551 -7.043 -6.802 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.497 -6.374 -5.547 1.00 0.00 C ATOM 0 H THR A 60 -4.701 -4.657 -5.687 1.00 0.00 H new ATOM 0 HA THR A 60 -4.657 -6.534 -3.510 1.00 0.00 H new ATOM 0 HB THR A 60 -5.287 -8.130 -5.226 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.532 -6.117 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.155 -6.870 -6.261 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.949 -6.405 -4.556 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.352 -5.336 -5.847 1.00 0.00 H new ATOM 949 N SER A 61 -2.116 -6.551 -5.588 1.00 0.00 N ATOM 950 CA SER A 61 -0.712 -7.021 -5.689 1.00 0.00 C ATOM 951 C SER A 61 0.128 -6.261 -4.652 1.00 0.00 C ATOM 952 O SER A 61 1.190 -6.711 -4.213 1.00 0.00 O ATOM 953 CB SER A 61 -0.180 -6.736 -7.094 1.00 0.00 C ATOM 954 OG SER A 61 1.013 -7.482 -7.303 1.00 0.00 O ATOM 0 H SER A 61 -2.432 -5.947 -6.346 1.00 0.00 H new ATOM 0 HA SER A 61 -0.657 -8.093 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.927 -7.006 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.018 -5.671 -7.212 1.00 0.00 H new ATOM 0 HG SER A 61 1.269 -7.431 -8.248 1.00 0.00 H new ATOM 960 N CYS A 62 -0.385 -5.158 -4.167 1.00 0.00 N ATOM 961 CA CYS A 62 0.352 -4.407 -3.119 1.00 0.00 C ATOM 962 C CYS A 62 0.285 -5.221 -1.845 1.00 0.00 C ATOM 963 O CYS A 62 1.278 -5.459 -1.187 1.00 0.00 O ATOM 964 CB CYS A 62 -0.299 -3.040 -2.895 1.00 0.00 C ATOM 965 SG CYS A 62 0.819 -1.995 -1.929 1.00 0.00 S ATOM 0 H CYS A 62 -1.276 -4.752 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 62 1.387 -4.246 -3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.519 -2.568 -3.853 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.248 -3.158 -2.372 1.00 0.00 H new ATOM 0 HG CYS A 62 0.475 -2.034 -0.676 1.00 0.00 H new ATOM 971 N ILE A 63 -0.883 -5.680 -1.507 1.00 0.00 N ATOM 972 CA ILE A 63 -1.010 -6.511 -0.299 1.00 0.00 C ATOM 973 C ILE A 63 -0.468 -7.891 -0.630 1.00 0.00 C ATOM 974 O ILE A 63 0.131 -8.536 0.208 1.00 0.00 O ATOM 975 CB ILE A 63 -2.474 -6.581 0.142 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.789 -5.351 0.999 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.719 -7.846 0.967 1.00 0.00 C ATOM 978 CD1 ILE A 63 -2.335 -4.094 0.264 1.00 0.00 C ATOM 0 H ILE A 63 -1.750 -5.513 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.444 -6.082 0.528 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.116 -6.605 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.858 -5.300 1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.284 -5.425 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.764 -7.883 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.486 -8.724 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.081 -7.833 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.558 -3.217 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.262 -4.146 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.861 -4.019 -0.688 1.00 0.00 H new ATOM 990 N GLU A 64 -0.633 -8.369 -1.848 1.00 0.00 N ATOM 991 CA GLU A 64 -0.078 -9.700 -2.177 1.00 0.00 C ATOM 992 C GLU A 64 1.379 -9.715 -1.761 1.00 0.00 C ATOM 993 O GLU A 64 1.927 -10.758 -1.461 1.00 0.00 O ATOM 994 CB GLU A 64 -0.187 -9.961 -3.678 1.00 0.00 C ATOM 995 CG GLU A 64 0.047 -11.447 -3.957 1.00 0.00 C ATOM 996 CD GLU A 64 -0.053 -11.705 -5.461 1.00 0.00 C ATOM 997 OE1 GLU A 64 -0.855 -11.045 -6.103 1.00 0.00 O ATOM 998 OE2 GLU A 64 0.673 -12.556 -5.947 1.00 0.00 O ATOM 0 H GLU A 64 -1.121 -7.894 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.634 -10.477 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.171 -9.663 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.545 -9.359 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.029 -11.747 -3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.690 -12.048 -3.424 1.00 0.00 H new ATOM 1005 N LYS A 65 2.012 -8.563 -1.671 1.00 0.00 N ATOM 1006 CA LYS A 65 3.419 -8.562 -1.183 1.00 0.00 C ATOM 1007 C LYS A 65 3.469 -9.431 0.085 1.00 0.00 C ATOM 1008 O LYS A 65 4.511 -9.848 0.549 1.00 0.00 O ATOM 1009 CB LYS A 65 3.796 -7.128 -0.836 1.00 0.00 C ATOM 1010 CG LYS A 65 5.307 -6.997 -0.778 1.00 0.00 C ATOM 1011 CD LYS A 65 5.657 -5.546 -0.451 1.00 0.00 C ATOM 1012 CE LYS A 65 7.102 -5.450 0.054 1.00 0.00 C ATOM 1013 NZ LYS A 65 7.283 -4.173 0.798 1.00 0.00 N ATOM 0 H LYS A 65 1.622 -7.651 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 65 4.107 -8.951 -1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.390 -6.444 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.360 -6.849 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.716 -7.665 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.749 -7.287 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.532 -4.925 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.973 -5.161 0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.329 -6.296 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.796 -5.496 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.196 -4.188 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.267 -3.376 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.513 -4.061 1.488 1.00 0.00 H new ATOM 1027 N MET A 66 2.307 -9.711 0.605 1.00 0.00 N ATOM 1028 CA MET A 66 2.142 -10.555 1.797 1.00 0.00 C ATOM 1029 C MET A 66 0.677 -10.975 1.788 1.00 0.00 C ATOM 1030 O MET A 66 -0.012 -10.796 0.806 1.00 0.00 O ATOM 1031 CB MET A 66 2.459 -9.754 3.064 1.00 0.00 C ATOM 1032 CG MET A 66 1.524 -8.547 3.161 1.00 0.00 C ATOM 1033 SD MET A 66 2.037 -7.500 4.546 1.00 0.00 S ATOM 1034 CE MET A 66 0.776 -6.219 4.346 1.00 0.00 C ATOM 0 H MET A 66 1.427 -9.365 0.223 1.00 0.00 H new ATOM 0 HA MET A 66 2.813 -11.414 1.786 1.00 0.00 H new ATOM 0 HB2 MET A 66 2.343 -10.387 3.944 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.497 -9.421 3.045 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.549 -7.978 2.232 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.496 -8.880 3.303 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.908 -5.456 5.113 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.873 -5.764 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 66 -0.214 -6.664 4.444 1.00 0.00 H new ATOM 1044 N LEU A 67 0.185 -11.524 2.842 1.00 0.00 N ATOM 1045 CA LEU A 67 -1.246 -11.944 2.858 1.00 0.00 C ATOM 1046 C LEU A 67 -1.496 -12.940 1.721 1.00 0.00 C ATOM 1047 CB LEU A 67 -2.141 -10.709 2.674 1.00 0.00 C ATOM 1048 CG LEU A 67 -3.446 -10.867 3.473 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -4.117 -12.200 3.116 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -3.148 -10.826 4.981 1.00 0.00 C ATOM 0 H LEU A 67 0.703 -11.706 3.702 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.479 -12.419 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.611 -9.816 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.369 -10.572 1.617 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.117 -10.047 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.041 -12.306 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.343 -12.219 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.444 -13.023 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.078 -10.939 5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.469 -11.638 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.686 -9.872 5.235 1.00 0.00 H new TER 1062 LEU A 67