USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 100:sc= 1.25 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.997 USER MOD Single : A 1 MET CE :methyl 150:sc= -0.261 (180deg=-0.949) USER MOD Single : A 1 MET N :NH3+ 141:sc= 1 (180deg=-0.255) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc=-0.00094 (180deg=-0.123) USER MOD Single : A 7 THR OG1 : rot -58:sc= 0.845 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.108) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -95:sc= 0.0601 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 25 ASN : amide:sc= -0.487 K(o=-0.49,f=-2.3!) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.0893 (180deg=-0.667) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0242 (180deg=-0.351) USER MOD Single : A 31 GLN : amide:sc= -1.91 X(o=-1.9,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.481) USER MOD Single : A 40 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.24) USER MOD Single : A 41 GLN : amide:sc= -1.83 K(o=-1.8,f=-7.6!) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0278 (180deg=-0.423) USER MOD Single : A 49 GLN : amide:sc= -1.21! C(o=-1.2!,f=-5.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.518 USER MOD Single : A 60 ASN : amide:sc= -1.84 K(o=-1.8,f=-3.1!) USER MOD Single : A 62 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= -0.833 (180deg=-0.975) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 68 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.208 25.150 1.538 1.00 0.00 N ATOM 2 CA MET A 1 29.017 26.040 1.654 1.00 0.00 C ATOM 3 C MET A 1 29.418 27.337 2.357 1.00 0.00 C ATOM 4 O MET A 1 30.588 27.731 2.329 1.00 0.00 O ATOM 5 CB MET A 1 27.920 25.323 2.446 1.00 0.00 C ATOM 6 CG MET A 1 28.420 25.009 3.858 1.00 0.00 C ATOM 7 SD MET A 1 27.253 23.888 4.670 1.00 0.00 S ATOM 8 CE MET A 1 28.199 23.639 6.191 1.00 0.00 C ATOM 0 H1 MET A 1 29.922 24.164 1.706 1.00 0.00 H new ATOM 0 H2 MET A 1 30.613 25.235 0.584 1.00 0.00 H new ATOM 0 H3 MET A 1 30.920 25.429 2.243 1.00 0.00 H new ATOM 0 HA MET A 1 28.637 26.279 0.661 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.028 25.948 2.497 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.635 24.402 1.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.409 24.553 3.813 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.519 25.929 4.434 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.515 23.451 7.018 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.865 22.785 6.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.789 24.531 6.403 1.00 0.00 H new ATOM 20 N GLN A 2 28.446 27.989 2.997 1.00 0.00 N ATOM 21 CA GLN A 2 28.700 29.229 3.714 1.00 0.00 C ATOM 22 C GLN A 2 27.796 29.333 4.939 1.00 0.00 C ATOM 23 O GLN A 2 26.576 29.445 4.816 1.00 0.00 O ATOM 24 CB GLN A 2 28.449 30.409 2.794 1.00 0.00 C ATOM 25 CG GLN A 2 29.302 30.268 1.528 1.00 0.00 C ATOM 26 CD GLN A 2 29.273 31.565 0.726 1.00 0.00 C ATOM 27 OE1 GLN A 2 28.247 32.242 0.676 1.00 0.00 O ATOM 28 NE2 GLN A 2 30.347 31.953 0.093 1.00 0.00 N ATOM 0 H GLN A 2 27.476 27.675 3.031 1.00 0.00 H new ATOM 0 HA GLN A 2 29.739 29.236 4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 2 27.393 30.458 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.692 31.340 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 2 30.329 30.022 1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 2 28.927 29.446 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 2 31.196 31.390 0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 2 30.337 32.820 -0.445 1.00 0.00 H new ATOM 37 N ILE A 3 28.405 29.285 6.114 1.00 0.00 N ATOM 38 CA ILE A 3 27.658 29.366 7.374 1.00 0.00 C ATOM 39 C ILE A 3 27.735 30.772 7.963 1.00 0.00 C ATOM 40 O ILE A 3 28.724 31.482 7.787 1.00 0.00 O ATOM 41 CB ILE A 3 28.208 28.356 8.387 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.672 28.680 8.715 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.128 26.946 7.800 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.176 27.732 9.805 1.00 0.00 C ATOM 0 H ILE A 3 29.414 29.190 6.228 1.00 0.00 H new ATOM 0 HA ILE A 3 26.615 29.131 7.161 1.00 0.00 H new ATOM 0 HB ILE A 3 27.613 28.413 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.286 28.581 7.820 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.760 29.714 9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.519 26.229 8.521 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.089 26.704 7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.718 26.899 6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.216 27.964 10.036 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.569 27.853 10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.103 26.703 9.454 1.00 0.00 H new ATOM 56 N PHE A 4 26.676 31.170 8.657 1.00 0.00 N ATOM 57 CA PHE A 4 26.608 32.499 9.269 1.00 0.00 C ATOM 58 C PHE A 4 27.014 32.438 10.736 1.00 0.00 C ATOM 59 O PHE A 4 26.498 31.612 11.489 1.00 0.00 O ATOM 60 CB PHE A 4 25.180 33.037 9.164 1.00 0.00 C ATOM 61 CG PHE A 4 24.881 33.427 7.737 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.498 32.449 6.811 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.987 34.765 7.338 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.210 32.810 5.490 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.701 35.126 6.015 1.00 0.00 C ATOM 66 CZ PHE A 4 24.316 34.148 5.091 1.00 0.00 C ATOM 0 H PHE A 4 25.849 30.593 8.812 1.00 0.00 H new ATOM 0 HA PHE A 4 27.296 33.159 8.741 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.471 32.280 9.499 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.058 33.900 9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.425 31.416 7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.289 35.519 8.050 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.906 32.057 4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.778 36.159 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.101 34.425 4.070 1.00 0.00 H new ATOM 76 N VAL A 5 27.929 33.325 11.153 1.00 0.00 N ATOM 77 CA VAL A 5 28.380 33.364 12.546 1.00 0.00 C ATOM 78 C VAL A 5 27.962 34.669 13.200 1.00 0.00 C ATOM 79 O VAL A 5 28.422 35.750 12.835 1.00 0.00 O ATOM 80 CB VAL A 5 29.901 33.204 12.613 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.403 33.541 14.025 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.257 31.751 12.300 1.00 0.00 C ATOM 0 H VAL A 5 28.367 34.020 10.548 1.00 0.00 H new ATOM 0 HA VAL A 5 27.915 32.539 13.086 1.00 0.00 H new ATOM 0 HB VAL A 5 30.367 33.877 11.893 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.486 33.424 14.064 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.140 34.570 14.269 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.940 32.868 14.746 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.339 31.624 12.344 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.784 31.095 13.031 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.903 31.497 11.301 1.00 0.00 H new ATOM 92 N LYS A 6 27.073 34.542 14.163 1.00 0.00 N ATOM 93 CA LYS A 6 26.557 35.698 14.886 1.00 0.00 C ATOM 94 C LYS A 6 27.418 35.998 16.116 1.00 0.00 C ATOM 95 O LYS A 6 27.385 35.257 17.101 1.00 0.00 O ATOM 96 CB LYS A 6 25.123 35.392 15.306 1.00 0.00 C ATOM 97 CG LYS A 6 24.427 36.652 15.811 1.00 0.00 C ATOM 98 CD LYS A 6 22.969 36.305 16.123 1.00 0.00 C ATOM 99 CE LYS A 6 22.215 37.555 16.576 1.00 0.00 C ATOM 100 NZ LYS A 6 22.693 37.958 17.927 1.00 0.00 N ATOM 0 H LYS A 6 26.688 33.648 14.468 1.00 0.00 H new ATOM 0 HA LYS A 6 26.583 36.578 14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.572 34.980 14.461 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.122 34.632 16.088 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.926 37.030 16.703 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.477 37.440 15.060 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.491 35.883 15.239 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.927 35.544 16.902 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.373 38.366 15.865 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.143 37.358 16.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.052 38.675 18.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.711 37.126 18.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.651 38.355 17.852 1.00 0.00 H new ATOM 114 N THR A 7 28.190 37.083 16.046 1.00 0.00 N ATOM 115 CA THR A 7 29.058 37.466 17.161 1.00 0.00 C ATOM 116 C THR A 7 28.223 38.024 18.310 1.00 0.00 C ATOM 117 O THR A 7 27.042 38.325 18.134 1.00 0.00 O ATOM 118 CB THR A 7 30.078 38.512 16.704 1.00 0.00 C ATOM 119 OG1 THR A 7 29.396 39.684 16.282 1.00 0.00 O ATOM 120 CG2 THR A 7 30.910 37.953 15.544 1.00 0.00 C ATOM 0 H THR A 7 28.233 37.706 15.239 1.00 0.00 H new ATOM 0 HA THR A 7 29.591 36.580 17.507 1.00 0.00 H new ATOM 0 HB THR A 7 30.741 38.757 17.534 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.775 39.459 15.558 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.634 38.701 15.222 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.436 37.056 15.872 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.252 37.703 14.712 1.00 0.00 H new ATOM 128 N LEU A 8 28.827 38.167 19.489 1.00 0.00 N ATOM 129 CA LEU A 8 28.101 38.688 20.643 1.00 0.00 C ATOM 130 C LEU A 8 27.818 40.179 20.483 1.00 0.00 C ATOM 131 O LEU A 8 26.800 40.677 20.965 1.00 0.00 O ATOM 132 CB LEU A 8 28.914 38.456 21.923 1.00 0.00 C ATOM 133 CG LEU A 8 28.954 36.952 22.256 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.834 36.206 21.241 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.525 36.750 23.666 1.00 0.00 C ATOM 0 H LEU A 8 29.803 37.933 19.668 1.00 0.00 H new ATOM 0 HA LEU A 8 27.151 38.159 20.712 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.928 38.835 21.794 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.470 39.009 22.751 1.00 0.00 H new ATOM 0 HG LEU A 8 27.940 36.556 22.209 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.854 35.144 21.488 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.426 36.338 20.239 1.00 0.00 H new ATOM 0 HD13 LEU A 8 30.848 36.605 21.275 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.552 35.685 23.899 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.535 37.157 23.711 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.894 37.264 24.391 1.00 0.00 H new ATOM 147 N THR A 9 28.717 40.890 19.810 1.00 0.00 N ATOM 148 CA THR A 9 28.533 42.322 19.611 1.00 0.00 C ATOM 149 C THR A 9 27.374 42.583 18.654 1.00 0.00 C ATOM 150 O THR A 9 26.961 43.726 18.463 1.00 0.00 O ATOM 151 CB THR A 9 29.814 42.949 19.049 1.00 0.00 C ATOM 152 OG1 THR A 9 30.936 42.458 19.771 1.00 0.00 O ATOM 153 CG2 THR A 9 29.747 44.474 19.183 1.00 0.00 C ATOM 0 H THR A 9 29.568 40.505 19.399 1.00 0.00 H new ATOM 0 HA THR A 9 28.305 42.775 20.576 1.00 0.00 H new ATOM 0 HB THR A 9 29.913 42.685 17.996 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.756 42.857 19.412 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.660 44.915 18.782 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.888 44.851 18.628 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.646 44.743 20.234 1.00 0.00 H new ATOM 161 N GLY A 10 26.847 41.518 18.060 1.00 0.00 N ATOM 162 CA GLY A 10 25.731 41.648 17.129 1.00 0.00 C ATOM 163 C GLY A 10 26.232 41.832 15.703 1.00 0.00 C ATOM 164 O GLY A 10 25.464 42.193 14.811 1.00 0.00 O ATOM 0 H GLY A 10 27.171 40.562 18.205 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.100 40.761 17.185 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.112 42.499 17.414 1.00 0.00 H new ATOM 168 N LYS A 11 27.515 41.554 15.484 1.00 0.00 N ATOM 169 CA LYS A 11 28.099 41.661 14.150 1.00 0.00 C ATOM 170 C LYS A 11 28.012 40.318 13.442 1.00 0.00 C ATOM 171 O LYS A 11 28.571 39.326 13.907 1.00 0.00 O ATOM 172 CB LYS A 11 29.561 42.105 14.247 1.00 0.00 C ATOM 173 CG LYS A 11 29.650 43.454 14.979 1.00 0.00 C ATOM 174 CD LYS A 11 29.359 44.602 14.003 1.00 0.00 C ATOM 175 CE LYS A 11 29.622 45.939 14.693 1.00 0.00 C ATOM 176 NZ LYS A 11 28.581 46.174 15.732 1.00 0.00 N ATOM 0 H LYS A 11 28.167 41.255 16.209 1.00 0.00 H new ATOM 0 HA LYS A 11 27.543 42.405 13.579 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.144 41.353 14.779 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.990 42.194 13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.937 43.477 15.803 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.643 43.577 15.412 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.988 44.508 13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 11 28.324 44.553 13.666 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.612 45.937 15.149 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.610 46.747 13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 28.655 47.150 16.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 27.638 46.026 15.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 28.721 45.510 16.520 1.00 0.00 H new ATOM 190 N THR A 12 27.304 40.287 12.321 1.00 0.00 N ATOM 191 CA THR A 12 27.146 39.052 11.562 1.00 0.00 C ATOM 192 C THR A 12 28.259 38.908 10.531 1.00 0.00 C ATOM 193 O THR A 12 28.414 39.757 9.656 1.00 0.00 O ATOM 194 CB THR A 12 25.797 39.064 10.838 1.00 0.00 C ATOM 195 OG1 THR A 12 24.783 39.475 11.744 1.00 0.00 O ATOM 196 CG2 THR A 12 25.478 37.658 10.317 1.00 0.00 C ATOM 0 H THR A 12 26.832 41.097 11.918 1.00 0.00 H new ATOM 0 HA THR A 12 27.193 38.213 12.256 1.00 0.00 H new ATOM 0 HB THR A 12 25.841 39.757 9.998 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.918 39.486 11.284 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.517 37.670 9.802 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.257 37.341 9.624 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.432 36.961 11.154 1.00 0.00 H new ATOM 204 N ILE A 13 29.027 37.821 10.627 1.00 0.00 N ATOM 205 CA ILE A 13 30.119 37.569 9.679 1.00 0.00 C ATOM 206 C ILE A 13 29.985 36.167 9.104 1.00 0.00 C ATOM 207 O ILE A 13 29.849 35.190 9.840 1.00 0.00 O ATOM 208 CB ILE A 13 31.468 37.705 10.379 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.599 37.661 9.339 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.640 36.558 11.380 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.951 37.767 10.046 1.00 0.00 C ATOM 0 H ILE A 13 28.916 37.105 11.345 1.00 0.00 H new ATOM 0 HA ILE A 13 30.061 38.301 8.874 1.00 0.00 H new ATOM 0 HB ILE A 13 31.508 38.657 10.909 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.547 36.733 8.769 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.484 38.479 8.627 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.603 36.654 11.881 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.841 36.598 12.120 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.599 35.605 10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.752 37.736 9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.001 38.707 10.596 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.065 36.934 10.740 1.00 0.00 H new ATOM 223 N THR A 14 29.982 36.081 7.785 1.00 0.00 N ATOM 224 CA THR A 14 29.821 34.799 7.105 1.00 0.00 C ATOM 225 C THR A 14 31.150 34.054 7.003 1.00 0.00 C ATOM 226 O THR A 14 32.215 34.657 6.863 1.00 0.00 O ATOM 227 CB THR A 14 29.234 35.024 5.706 1.00 0.00 C ATOM 228 OG1 THR A 14 28.144 35.932 5.801 1.00 0.00 O ATOM 229 CG2 THR A 14 28.735 33.693 5.130 1.00 0.00 C ATOM 0 H THR A 14 30.089 36.880 7.161 1.00 0.00 H new ATOM 0 HA THR A 14 29.137 34.185 7.692 1.00 0.00 H new ATOM 0 HB THR A 14 30.004 35.432 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.306 35.430 5.877 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.319 33.860 4.136 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.566 32.991 5.063 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.964 33.281 5.781 1.00 0.00 H new ATOM 237 N LEU A 15 31.059 32.729 7.096 1.00 0.00 N ATOM 238 CA LEU A 15 32.225 31.851 7.041 1.00 0.00 C ATOM 239 C LEU A 15 32.093 30.849 5.888 1.00 0.00 C ATOM 240 O LEU A 15 31.081 30.157 5.761 1.00 0.00 O ATOM 241 CB LEU A 15 32.325 31.090 8.387 1.00 0.00 C ATOM 242 CG LEU A 15 33.769 31.065 8.912 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.104 32.410 9.567 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.911 29.946 9.953 1.00 0.00 C ATOM 0 H LEU A 15 30.175 32.234 7.212 1.00 0.00 H new ATOM 0 HA LEU A 15 33.122 32.446 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.677 31.564 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.966 30.069 8.257 1.00 0.00 H new ATOM 0 HG LEU A 15 34.452 30.886 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.129 32.389 9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.001 33.208 8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.421 32.591 10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.934 29.925 10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.225 30.129 10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.674 28.987 9.491 1.00 0.00 H new ATOM 256 N GLU A 16 33.138 30.752 5.077 1.00 0.00 N ATOM 257 CA GLU A 16 33.148 29.800 3.964 1.00 0.00 C ATOM 258 C GLU A 16 33.859 28.534 4.422 1.00 0.00 C ATOM 259 O GLU A 16 35.007 28.590 4.868 1.00 0.00 O ATOM 260 CB GLU A 16 33.873 30.395 2.753 1.00 0.00 C ATOM 261 CG GLU A 16 33.761 29.431 1.568 1.00 0.00 C ATOM 262 CD GLU A 16 34.434 30.034 0.341 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.770 30.767 -0.374 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.603 29.757 0.135 1.00 0.00 O ATOM 0 H GLU A 16 33.985 31.314 5.164 1.00 0.00 H new ATOM 0 HA GLU A 16 32.124 29.573 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.438 31.360 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.921 30.572 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.228 28.478 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.712 29.225 1.354 1.00 0.00 H new ATOM 271 N VAL A 17 33.184 27.389 4.311 1.00 0.00 N ATOM 272 CA VAL A 17 33.785 26.119 4.732 1.00 0.00 C ATOM 273 C VAL A 17 33.204 24.958 3.944 1.00 0.00 C ATOM 274 O VAL A 17 32.256 25.101 3.179 1.00 0.00 O ATOM 275 CB VAL A 17 33.557 25.902 6.243 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.059 25.901 6.571 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.164 24.577 6.718 1.00 0.00 C ATOM 0 H VAL A 17 32.237 27.312 3.940 1.00 0.00 H new ATOM 0 HA VAL A 17 34.856 26.164 4.535 1.00 0.00 H new ATOM 0 HB VAL A 17 34.049 26.725 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.921 25.747 7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.623 26.858 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.567 25.098 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 17 33.985 24.457 7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.702 23.751 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.237 24.580 6.528 1.00 0.00 H new ATOM 287 N GLU A 18 33.788 23.798 4.165 1.00 0.00 N ATOM 288 CA GLU A 18 33.347 22.558 3.512 1.00 0.00 C ATOM 289 C GLU A 18 32.496 21.741 4.494 1.00 0.00 C ATOM 290 O GLU A 18 32.819 21.684 5.679 1.00 0.00 O ATOM 291 CB GLU A 18 34.558 21.730 3.072 1.00 0.00 C ATOM 292 CG GLU A 18 35.413 22.555 2.108 1.00 0.00 C ATOM 293 CD GLU A 18 36.659 21.770 1.717 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.811 20.660 2.199 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.445 22.291 0.941 1.00 0.00 O ATOM 0 H GLU A 18 34.579 23.676 4.797 1.00 0.00 H new ATOM 0 HA GLU A 18 32.755 22.811 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.148 21.438 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.228 20.811 2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.835 22.804 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.698 23.497 2.576 1.00 0.00 H new ATOM 302 N PRO A 19 31.424 21.117 4.058 1.00 0.00 N ATOM 303 CA PRO A 19 30.551 20.328 4.980 1.00 0.00 C ATOM 304 C PRO A 19 31.269 19.107 5.554 1.00 0.00 C ATOM 305 O PRO A 19 30.735 18.411 6.417 1.00 0.00 O ATOM 306 CB PRO A 19 29.358 19.921 4.099 1.00 0.00 C ATOM 307 CG PRO A 19 29.885 19.953 2.699 1.00 0.00 C ATOM 308 CD PRO A 19 30.924 21.074 2.669 1.00 0.00 C ATOM 0 HA PRO A 19 30.252 20.904 5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.994 18.928 4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.522 20.610 4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.334 18.997 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.084 20.143 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.724 20.861 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.481 22.025 2.372 1.00 0.00 H new ATOM 316 N SER A 20 32.480 18.853 5.072 1.00 0.00 N ATOM 317 CA SER A 20 33.265 17.714 5.546 1.00 0.00 C ATOM 318 C SER A 20 34.256 18.162 6.615 1.00 0.00 C ATOM 319 O SER A 20 34.647 17.374 7.478 1.00 0.00 O ATOM 320 CB SER A 20 34.007 17.075 4.371 1.00 0.00 C ATOM 321 OG SER A 20 34.718 15.931 4.827 1.00 0.00 O ATOM 0 H SER A 20 32.940 19.416 4.357 1.00 0.00 H new ATOM 0 HA SER A 20 32.593 16.978 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.300 16.791 3.592 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.697 17.793 3.929 1.00 0.00 H new ATOM 0 HG SER A 20 35.193 15.520 4.075 1.00 0.00 H new ATOM 327 N ASP A 21 34.684 19.421 6.534 1.00 0.00 N ATOM 328 CA ASP A 21 35.639 19.954 7.484 1.00 0.00 C ATOM 329 C ASP A 21 35.168 19.691 8.907 1.00 0.00 C ATOM 330 O ASP A 21 33.965 19.687 9.189 1.00 0.00 O ATOM 331 CB ASP A 21 35.778 21.462 7.260 1.00 0.00 C ATOM 332 CG ASP A 21 36.653 21.742 6.041 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.184 20.796 5.485 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.784 22.901 5.683 1.00 0.00 O ATOM 0 H ASP A 21 34.381 20.083 5.820 1.00 0.00 H new ATOM 0 HA ASP A 21 36.603 19.466 7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.793 21.907 7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.214 21.928 8.143 1.00 0.00 H new ATOM 339 N THR A 22 36.124 19.473 9.805 1.00 0.00 N ATOM 340 CA THR A 22 35.793 19.216 11.195 1.00 0.00 C ATOM 341 C THR A 22 35.557 20.531 11.934 1.00 0.00 C ATOM 342 O THR A 22 35.715 21.621 11.376 1.00 0.00 O ATOM 343 CB THR A 22 36.935 18.425 11.875 1.00 0.00 C ATOM 344 OG1 THR A 22 37.708 17.769 10.881 1.00 0.00 O ATOM 345 CG2 THR A 22 36.355 17.382 12.839 1.00 0.00 C ATOM 0 H THR A 22 37.122 19.470 9.595 1.00 0.00 H new ATOM 0 HA THR A 22 34.879 18.623 11.233 1.00 0.00 H new ATOM 0 HB THR A 22 37.563 19.117 12.436 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.434 17.268 11.309 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.168 16.831 13.312 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.763 17.884 13.605 1.00 0.00 H new ATOM 0 HG23 THR A 22 35.721 16.689 12.286 1.00 0.00 H new ATOM 353 N ILE A 23 35.213 20.423 13.209 1.00 0.00 N ATOM 354 CA ILE A 23 34.996 21.615 14.013 1.00 0.00 C ATOM 355 C ILE A 23 36.334 22.283 14.318 1.00 0.00 C ATOM 356 O ILE A 23 36.420 23.508 14.409 1.00 0.00 O ATOM 357 CB ILE A 23 34.264 21.257 15.311 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.097 20.309 15.003 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.718 22.528 15.965 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.283 20.837 13.815 1.00 0.00 C ATOM 0 H ILE A 23 35.080 19.540 13.701 1.00 0.00 H new ATOM 0 HA ILE A 23 34.374 22.313 13.453 1.00 0.00 H new ATOM 0 HB ILE A 23 34.964 20.769 15.989 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.478 19.313 14.778 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.455 20.214 15.879 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.198 22.268 16.887 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.543 23.204 16.191 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.023 23.018 15.283 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.458 20.155 13.607 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.886 21.823 14.055 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.925 20.908 12.937 1.00 0.00 H new ATOM 372 N GLU A 24 37.383 21.473 14.448 1.00 0.00 N ATOM 373 CA GLU A 24 38.713 22.010 14.714 1.00 0.00 C ATOM 374 C GLU A 24 39.093 23.005 13.624 1.00 0.00 C ATOM 375 O GLU A 24 39.900 23.910 13.839 1.00 0.00 O ATOM 376 CB GLU A 24 39.743 20.880 14.753 1.00 0.00 C ATOM 377 CG GLU A 24 39.224 19.741 15.630 1.00 0.00 C ATOM 378 CD GLU A 24 38.908 20.260 17.028 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.785 20.689 17.239 1.00 0.00 O ATOM 380 OE2 GLU A 24 39.793 20.221 17.868 1.00 0.00 O ATOM 0 H GLU A 24 37.339 20.457 14.375 1.00 0.00 H new ATOM 0 HA GLU A 24 38.701 22.513 15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.936 20.516 13.744 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.690 21.251 15.145 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.329 19.307 15.184 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.969 18.947 15.688 1.00 0.00 H new ATOM 387 N ASN A 25 38.478 22.842 12.457 1.00 0.00 N ATOM 388 CA ASN A 25 38.737 23.744 11.340 1.00 0.00 C ATOM 389 C ASN A 25 37.947 25.029 11.534 1.00 0.00 C ATOM 390 O ASN A 25 38.519 26.117 11.618 1.00 0.00 O ATOM 391 CB ASN A 25 38.345 23.091 10.014 1.00 0.00 C ATOM 392 CG ASN A 25 38.870 23.928 8.850 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.090 24.400 8.023 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.153 24.142 8.737 1.00 0.00 N ATOM 0 H ASN A 25 37.804 22.102 12.261 1.00 0.00 H new ATOM 0 HA ASN A 25 39.803 23.968 11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.753 22.081 9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.261 23.001 9.949 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.511 24.701 7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.798 23.750 9.423 1.00 0.00 H new ATOM 401 N VAL A 26 36.624 24.898 11.604 1.00 0.00 N ATOM 402 CA VAL A 26 35.764 26.064 11.793 1.00 0.00 C ATOM 403 C VAL A 26 36.280 26.921 12.934 1.00 0.00 C ATOM 404 O VAL A 26 36.055 28.134 12.979 1.00 0.00 O ATOM 405 CB VAL A 26 34.340 25.608 12.097 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.448 26.824 12.346 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.813 24.827 10.906 1.00 0.00 C ATOM 0 H VAL A 26 36.129 24.009 11.534 1.00 0.00 H new ATOM 0 HA VAL A 26 35.769 26.656 10.878 1.00 0.00 H new ATOM 0 HB VAL A 26 34.337 24.979 12.987 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.433 26.492 12.562 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.833 27.390 13.194 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.441 27.458 11.459 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.795 24.495 11.110 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.816 25.465 10.022 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.449 23.960 10.729 1.00 0.00 H new ATOM 417 N LYS A 27 36.988 26.278 13.845 1.00 0.00 N ATOM 418 CA LYS A 27 37.556 26.977 14.989 1.00 0.00 C ATOM 419 C LYS A 27 38.745 27.802 14.538 1.00 0.00 C ATOM 420 O LYS A 27 38.825 29.002 14.802 1.00 0.00 O ATOM 421 CB LYS A 27 38.001 25.965 16.049 1.00 0.00 C ATOM 422 CG LYS A 27 36.769 25.324 16.714 1.00 0.00 C ATOM 423 CD LYS A 27 36.293 26.191 17.885 1.00 0.00 C ATOM 424 CE LYS A 27 35.139 25.491 18.600 1.00 0.00 C ATOM 425 NZ LYS A 27 35.628 24.217 19.201 1.00 0.00 N ATOM 0 H LYS A 27 37.184 25.277 13.818 1.00 0.00 H new ATOM 0 HA LYS A 27 36.801 27.635 15.420 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.620 25.194 15.590 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.615 26.460 16.802 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.968 25.214 15.983 1.00 0.00 H new ATOM 0 HG3 LYS A 27 37.017 24.324 17.069 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.114 26.364 18.580 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.971 27.167 17.522 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.731 26.139 19.376 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.331 25.288 17.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.012 23.949 19.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.613 23.466 18.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.600 24.347 19.546 1.00 0.00 H new ATOM 439 N ALA A 28 39.664 27.141 13.855 1.00 0.00 N ATOM 440 CA ALA A 28 40.857 27.804 13.359 1.00 0.00 C ATOM 441 C ALA A 28 40.482 29.022 12.516 1.00 0.00 C ATOM 442 O ALA A 28 41.177 30.036 12.536 1.00 0.00 O ATOM 443 CB ALA A 28 41.663 26.820 12.512 1.00 0.00 C ATOM 0 H ALA A 28 39.607 26.147 13.632 1.00 0.00 H new ATOM 0 HA ALA A 28 41.455 28.140 14.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.560 27.313 12.137 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.948 25.963 13.122 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.057 26.482 11.672 1.00 0.00 H new ATOM 449 N LYS A 29 39.369 28.920 11.792 1.00 0.00 N ATOM 450 CA LYS A 29 38.918 30.033 10.968 1.00 0.00 C ATOM 451 C LYS A 29 38.540 31.221 11.854 1.00 0.00 C ATOM 452 O LYS A 29 39.173 32.276 11.797 1.00 0.00 O ATOM 453 CB LYS A 29 37.719 29.606 10.109 1.00 0.00 C ATOM 454 CG LYS A 29 38.224 28.895 8.845 1.00 0.00 C ATOM 455 CD LYS A 29 37.093 28.088 8.223 1.00 0.00 C ATOM 456 CE LYS A 29 37.628 27.282 7.036 1.00 0.00 C ATOM 457 NZ LYS A 29 38.119 28.217 5.984 1.00 0.00 N ATOM 0 H LYS A 29 38.774 28.092 11.760 1.00 0.00 H new ATOM 0 HA LYS A 29 39.730 30.333 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.068 28.942 10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.124 30.478 9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.598 29.627 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.058 28.239 9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.661 27.417 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.296 28.755 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.436 26.627 7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.843 26.643 6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.227 27.703 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.435 28.990 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.038 28.611 6.271 1.00 0.00 H new ATOM 471 N ILE A 30 37.492 31.047 12.654 1.00 0.00 N ATOM 472 CA ILE A 30 37.021 32.104 13.532 1.00 0.00 C ATOM 473 C ILE A 30 38.166 32.665 14.384 1.00 0.00 C ATOM 474 O ILE A 30 38.249 33.874 14.597 1.00 0.00 O ATOM 475 CB ILE A 30 35.912 31.536 14.427 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.648 31.307 13.590 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.596 32.518 15.552 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.655 30.462 14.388 1.00 0.00 C ATOM 0 H ILE A 30 36.955 30.182 12.710 1.00 0.00 H new ATOM 0 HA ILE A 30 36.630 32.926 12.932 1.00 0.00 H new ATOM 0 HB ILE A 30 36.249 30.592 14.855 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.197 32.263 13.324 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.903 30.804 12.657 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.808 32.107 16.183 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.491 32.684 16.152 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.263 33.465 15.126 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.756 30.299 13.794 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.108 29.501 14.632 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.392 30.983 15.309 1.00 0.00 H new ATOM 490 N GLN A 31 39.037 31.786 14.869 1.00 0.00 N ATOM 491 CA GLN A 31 40.159 32.222 15.695 1.00 0.00 C ATOM 492 C GLN A 31 41.078 33.144 14.900 1.00 0.00 C ATOM 493 O GLN A 31 41.301 34.294 15.273 1.00 0.00 O ATOM 494 CB GLN A 31 40.956 31.008 16.185 1.00 0.00 C ATOM 495 CG GLN A 31 42.122 31.479 17.059 1.00 0.00 C ATOM 496 CD GLN A 31 42.797 30.283 17.721 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.508 30.443 18.713 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.617 29.087 17.230 1.00 0.00 N ATOM 0 H GLN A 31 38.990 30.780 14.708 1.00 0.00 H new ATOM 0 HA GLN A 31 39.763 32.766 16.553 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.309 30.340 16.753 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.332 30.440 15.334 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.845 32.024 16.452 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.760 32.170 17.821 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.027 28.957 16.408 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.066 28.283 17.668 1.00 0.00 H new ATOM 507 N ASP A 32 41.619 32.612 13.816 1.00 0.00 N ATOM 508 CA ASP A 32 42.534 33.373 12.976 1.00 0.00 C ATOM 509 C ASP A 32 41.940 34.722 12.556 1.00 0.00 C ATOM 510 O ASP A 32 42.656 35.721 12.487 1.00 0.00 O ATOM 511 CB ASP A 32 42.898 32.556 11.732 1.00 0.00 C ATOM 512 CG ASP A 32 43.723 31.336 12.133 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.580 31.479 12.988 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.485 30.276 11.576 1.00 0.00 O ATOM 0 H ASP A 32 41.442 31.660 13.497 1.00 0.00 H new ATOM 0 HA ASP A 32 43.430 33.575 13.563 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.991 32.239 11.217 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.462 33.174 11.033 1.00 0.00 H new ATOM 519 N LYS A 33 40.642 34.751 12.249 1.00 0.00 N ATOM 520 CA LYS A 33 39.999 35.991 11.805 1.00 0.00 C ATOM 521 C LYS A 33 39.698 36.966 12.953 1.00 0.00 C ATOM 522 O LYS A 33 39.902 38.171 12.805 1.00 0.00 O ATOM 523 CB LYS A 33 38.693 35.677 11.082 1.00 0.00 C ATOM 524 CG LYS A 33 38.967 34.825 9.842 1.00 0.00 C ATOM 525 CD LYS A 33 37.634 34.343 9.259 1.00 0.00 C ATOM 526 CE LYS A 33 37.889 33.528 7.988 1.00 0.00 C ATOM 527 NZ LYS A 33 36.611 32.907 7.532 1.00 0.00 N ATOM 0 H LYS A 33 40.022 33.943 12.298 1.00 0.00 H new ATOM 0 HA LYS A 33 40.711 36.475 11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.016 35.149 11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.197 36.604 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.514 35.407 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.593 33.972 10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.105 33.735 9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.995 35.197 9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.293 34.171 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.633 32.755 8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.712 32.587 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.385 32.093 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.844 33.607 7.591 1.00 0.00 H new ATOM 541 N GLU A 34 39.174 36.465 14.078 1.00 0.00 N ATOM 542 CA GLU A 34 38.811 37.343 15.206 1.00 0.00 C ATOM 543 C GLU A 34 39.802 37.260 16.370 1.00 0.00 C ATOM 544 O GLU A 34 39.589 37.889 17.406 1.00 0.00 O ATOM 545 CB GLU A 34 37.416 36.968 15.719 1.00 0.00 C ATOM 546 CG GLU A 34 36.397 37.073 14.587 1.00 0.00 C ATOM 547 CD GLU A 34 34.983 36.953 15.151 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.815 37.198 16.336 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.091 36.615 14.392 1.00 0.00 O ATOM 0 H GLU A 34 38.993 35.474 14.235 1.00 0.00 H new ATOM 0 HA GLU A 34 38.830 38.365 14.829 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.427 35.953 16.117 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.131 37.628 16.538 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.512 38.025 14.069 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.573 36.287 13.853 1.00 0.00 H new ATOM 556 N GLY A 35 40.901 36.542 16.196 1.00 0.00 N ATOM 557 CA GLY A 35 41.908 36.454 17.251 1.00 0.00 C ATOM 558 C GLY A 35 41.336 35.937 18.575 1.00 0.00 C ATOM 559 O GLY A 35 41.906 36.189 19.637 1.00 0.00 O ATOM 0 H GLY A 35 41.120 36.018 15.349 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.712 35.794 16.925 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.348 37.438 17.410 1.00 0.00 H new ATOM 563 N ILE A 36 40.214 35.216 18.520 1.00 0.00 N ATOM 564 CA ILE A 36 39.594 34.676 19.728 1.00 0.00 C ATOM 565 C ILE A 36 40.008 33.209 19.944 1.00 0.00 C ATOM 566 O ILE A 36 39.641 32.349 19.142 1.00 0.00 O ATOM 567 CB ILE A 36 38.082 34.752 19.576 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.712 36.178 19.187 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.415 34.394 20.900 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.199 36.328 19.152 1.00 0.00 C ATOM 0 H ILE A 36 39.720 34.994 17.656 1.00 0.00 H new ATOM 0 HA ILE A 36 39.923 35.259 20.588 1.00 0.00 H new ATOM 0 HB ILE A 36 37.745 34.053 18.811 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.140 36.882 19.901 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.133 36.419 18.211 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.332 34.449 20.789 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.699 33.382 21.189 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.737 35.095 21.671 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.941 37.350 18.873 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.782 35.636 18.421 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.788 36.106 20.137 1.00 0.00 H new ATOM 582 N PRO A 37 40.739 32.886 20.996 1.00 0.00 N ATOM 583 CA PRO A 37 41.152 31.470 21.271 1.00 0.00 C ATOM 584 C PRO A 37 39.979 30.491 21.104 1.00 0.00 C ATOM 585 O PRO A 37 38.819 30.894 21.184 1.00 0.00 O ATOM 586 CB PRO A 37 41.630 31.520 22.728 1.00 0.00 C ATOM 587 CG PRO A 37 42.134 32.914 22.916 1.00 0.00 C ATOM 588 CD PRO A 37 41.259 33.808 22.029 1.00 0.00 C ATOM 0 HA PRO A 37 41.916 31.113 20.580 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.817 31.297 23.419 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.415 30.787 22.912 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.065 33.215 23.961 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.183 32.990 22.631 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.451 34.267 22.598 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.837 34.619 21.586 1.00 0.00 H new ATOM 596 N PRO A 38 40.253 29.227 20.872 1.00 0.00 N ATOM 597 CA PRO A 38 39.187 28.192 20.688 1.00 0.00 C ATOM 598 C PRO A 38 38.480 27.830 21.996 1.00 0.00 C ATOM 599 O PRO A 38 37.252 27.795 22.053 1.00 0.00 O ATOM 600 CB PRO A 38 39.953 26.991 20.119 1.00 0.00 C ATOM 601 CG PRO A 38 41.320 27.131 20.690 1.00 0.00 C ATOM 602 CD PRO A 38 41.598 28.634 20.756 1.00 0.00 C ATOM 0 HA PRO A 38 38.385 28.543 20.039 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.492 26.048 20.414 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.972 27.010 19.029 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.377 26.680 21.681 1.00 0.00 H new ATOM 0 HG3 PRO A 38 42.057 26.625 20.066 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.224 28.889 21.611 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.117 28.986 19.864 1.00 0.00 H new ATOM 610 N ASP A 39 39.258 27.553 23.039 1.00 0.00 N ATOM 611 CA ASP A 39 38.680 27.184 24.328 1.00 0.00 C ATOM 612 C ASP A 39 37.799 28.304 24.869 1.00 0.00 C ATOM 613 O ASP A 39 36.955 28.079 25.736 1.00 0.00 O ATOM 614 CB ASP A 39 39.792 26.879 25.335 1.00 0.00 C ATOM 615 CG ASP A 39 40.567 25.642 24.896 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.038 24.888 24.095 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.680 25.467 25.365 1.00 0.00 O ATOM 0 H ASP A 39 40.278 27.576 23.019 1.00 0.00 H new ATOM 0 HA ASP A 39 38.066 26.295 24.182 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.466 27.732 25.414 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.364 26.718 26.324 1.00 0.00 H new ATOM 622 N GLN A 40 38.015 29.516 24.372 1.00 0.00 N ATOM 623 CA GLN A 40 37.246 30.669 24.837 1.00 0.00 C ATOM 624 C GLN A 40 35.881 30.744 24.162 1.00 0.00 C ATOM 625 O GLN A 40 34.963 31.390 24.679 1.00 0.00 O ATOM 626 CB GLN A 40 38.018 31.961 24.556 1.00 0.00 C ATOM 627 CG GLN A 40 39.212 32.060 25.508 1.00 0.00 C ATOM 628 CD GLN A 40 38.732 32.450 26.903 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.067 33.472 27.069 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.033 31.691 27.922 1.00 0.00 N ATOM 0 H GLN A 40 38.708 29.727 23.654 1.00 0.00 H new ATOM 0 HA GLN A 40 37.093 30.551 25.910 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.362 31.974 23.522 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.364 32.823 24.685 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.737 31.105 25.548 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.923 32.799 25.138 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.584 30.844 27.782 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.717 31.945 28.858 1.00 0.00 H new ATOM 639 N GLN A 41 35.744 30.098 23.000 1.00 0.00 N ATOM 640 CA GLN A 41 34.482 30.114 22.261 1.00 0.00 C ATOM 641 C GLN A 41 33.763 28.771 22.332 1.00 0.00 C ATOM 642 O GLN A 41 34.391 27.716 22.425 1.00 0.00 O ATOM 643 CB GLN A 41 34.753 30.455 20.794 1.00 0.00 C ATOM 644 CG GLN A 41 35.305 31.878 20.691 1.00 0.00 C ATOM 645 CD GLN A 41 35.963 32.085 19.331 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.627 33.027 18.613 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.886 31.253 18.931 1.00 0.00 N ATOM 0 H GLN A 41 36.488 29.561 22.554 1.00 0.00 H new ATOM 0 HA GLN A 41 33.841 30.867 22.719 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.465 29.746 20.371 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.834 30.368 20.214 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.500 32.600 20.828 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.030 32.054 21.486 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.163 30.473 19.527 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.330 31.383 18.022 1.00 0.00 H new ATOM 656 N ARG A 42 32.435 28.835 22.269 1.00 0.00 N ATOM 657 CA ARG A 42 31.584 27.650 22.299 1.00 0.00 C ATOM 658 C ARG A 42 30.576 27.773 21.167 1.00 0.00 C ATOM 659 O ARG A 42 29.910 28.800 21.032 1.00 0.00 O ATOM 660 CB ARG A 42 30.849 27.560 23.645 1.00 0.00 C ATOM 661 CG ARG A 42 31.821 27.150 24.767 1.00 0.00 C ATOM 662 CD ARG A 42 31.903 25.623 24.866 1.00 0.00 C ATOM 663 NE ARG A 42 30.655 25.085 25.398 1.00 0.00 N ATOM 664 CZ ARG A 42 30.314 25.267 26.670 1.00 0.00 C ATOM 665 NH1 ARG A 42 29.190 24.780 27.120 1.00 0.00 N ATOM 666 NH2 ARG A 42 31.103 25.929 27.470 1.00 0.00 N ATOM 0 H ARG A 42 31.919 29.712 22.196 1.00 0.00 H new ATOM 0 HA ARG A 42 32.186 26.750 22.179 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.396 28.522 23.883 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.039 26.834 23.575 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.810 27.562 24.569 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.487 27.566 25.717 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.101 25.198 23.882 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.735 25.337 25.510 1.00 0.00 H new ATOM 0 HE ARG A 42 30.033 24.560 24.783 1.00 0.00 H new ATOM 0 HH11 ARG A 42 28.573 24.260 26.496 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.928 24.919 28.096 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.983 26.308 27.120 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.840 26.068 28.446 1.00 0.00 H new ATOM 680 N LEU A 43 30.465 26.740 20.338 1.00 0.00 N ATOM 681 CA LEU A 43 29.532 26.784 19.209 1.00 0.00 C ATOM 682 C LEU A 43 28.193 26.159 19.571 1.00 0.00 C ATOM 683 O LEU A 43 28.109 24.964 19.876 1.00 0.00 O ATOM 684 CB LEU A 43 30.115 26.043 18.014 1.00 0.00 C ATOM 685 CG LEU A 43 31.548 26.503 17.733 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.970 25.953 16.375 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.621 28.031 17.702 1.00 0.00 C ATOM 0 H LEU A 43 30.998 25.874 20.420 1.00 0.00 H new ATOM 0 HA LEU A 43 29.374 27.833 18.957 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.104 24.970 18.206 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.494 26.216 17.135 1.00 0.00 H new ATOM 0 HG LEU A 43 32.209 26.138 18.519 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.990 26.270 16.155 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.924 24.864 16.393 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.298 26.332 15.604 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.646 28.342 17.501 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.966 28.411 16.918 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.303 28.430 18.665 1.00 0.00 H new ATOM 699 N ILE A 44 27.148 26.984 19.532 1.00 0.00 N ATOM 700 CA ILE A 44 25.790 26.534 19.859 1.00 0.00 C ATOM 701 C ILE A 44 24.907 26.463 18.610 1.00 0.00 C ATOM 702 O ILE A 44 24.719 27.465 17.906 1.00 0.00 O ATOM 703 CB ILE A 44 25.146 27.500 20.859 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.098 27.762 22.035 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.834 26.909 21.380 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.580 26.440 22.640 1.00 0.00 C ATOM 0 H ILE A 44 27.213 27.970 19.277 1.00 0.00 H new ATOM 0 HA ILE A 44 25.870 25.537 20.291 1.00 0.00 H new ATOM 0 HB ILE A 44 24.942 28.444 20.353 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.953 28.346 21.695 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.590 28.354 22.797 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.381 27.600 22.091 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.152 26.747 20.546 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.034 25.959 21.875 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.254 26.645 23.472 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.723 25.870 22.999 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.107 25.863 21.880 1.00 0.00 H new ATOM 718 N PHE A 45 24.359 25.272 18.347 1.00 0.00 N ATOM 719 CA PHE A 45 23.479 25.057 17.199 1.00 0.00 C ATOM 720 C PHE A 45 22.335 24.131 17.599 1.00 0.00 C ATOM 721 O PHE A 45 22.563 23.036 18.110 1.00 0.00 O ATOM 722 CB PHE A 45 24.261 24.415 16.055 1.00 0.00 C ATOM 723 CG PHE A 45 23.389 24.303 14.830 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.389 25.319 13.868 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.585 23.173 14.658 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.586 25.200 12.726 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.780 23.053 13.517 1.00 0.00 C ATOM 728 CZ PHE A 45 21.780 24.068 12.552 1.00 0.00 C ATOM 0 H PHE A 45 24.512 24.440 18.918 1.00 0.00 H new ATOM 0 HA PHE A 45 23.082 26.018 16.873 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.145 25.012 15.829 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.611 23.427 16.353 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.007 26.194 14.006 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.584 22.392 15.404 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.589 25.981 11.980 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.160 22.179 13.382 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.158 23.978 11.673 1.00 0.00 H new ATOM 738 N ALA A 46 21.106 24.579 17.370 1.00 0.00 N ATOM 739 CA ALA A 46 19.936 23.778 17.714 1.00 0.00 C ATOM 740 C ALA A 46 20.015 23.290 19.161 1.00 0.00 C ATOM 741 O ALA A 46 19.584 22.181 19.475 1.00 0.00 O ATOM 742 CB ALA A 46 19.837 22.577 16.772 1.00 0.00 C ATOM 0 H ALA A 46 20.894 25.485 16.951 1.00 0.00 H new ATOM 0 HA ALA A 46 19.049 24.402 17.608 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.962 21.982 17.032 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.745 22.928 15.744 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.734 21.965 16.867 1.00 0.00 H new ATOM 748 N GLY A 47 20.554 24.131 20.038 1.00 0.00 N ATOM 749 CA GLY A 47 20.671 23.785 21.454 1.00 0.00 C ATOM 750 C GLY A 47 21.646 22.626 21.683 1.00 0.00 C ATOM 751 O GLY A 47 21.630 22.000 22.742 1.00 0.00 O ATOM 0 H GLY A 47 20.916 25.054 19.797 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.007 24.658 22.014 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.689 23.515 21.844 1.00 0.00 H new ATOM 755 N LYS A 48 22.505 22.350 20.698 1.00 0.00 N ATOM 756 CA LYS A 48 23.492 21.266 20.818 1.00 0.00 C ATOM 757 C LYS A 48 24.903 21.800 20.606 1.00 0.00 C ATOM 758 O LYS A 48 25.182 22.434 19.588 1.00 0.00 O ATOM 759 CB LYS A 48 23.216 20.187 19.775 1.00 0.00 C ATOM 760 CG LYS A 48 21.806 19.623 19.963 1.00 0.00 C ATOM 761 CD LYS A 48 21.529 18.572 18.883 1.00 0.00 C ATOM 762 CE LYS A 48 20.060 18.150 18.950 1.00 0.00 C ATOM 763 NZ LYS A 48 19.768 17.587 20.298 1.00 0.00 N ATOM 0 H LYS A 48 22.540 22.856 19.813 1.00 0.00 H new ATOM 0 HA LYS A 48 23.410 20.845 21.820 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.319 20.604 18.773 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.951 19.387 19.864 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.710 19.177 20.953 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.071 20.425 19.902 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.758 18.978 17.898 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.175 17.706 19.029 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.415 19.006 18.754 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.848 17.408 18.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.872 17.059 20.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.538 16.947 20.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.690 18.361 20.988 1.00 0.00 H new ATOM 777 N GLN A 49 25.805 21.525 21.549 1.00 0.00 N ATOM 778 CA GLN A 49 27.181 21.969 21.416 1.00 0.00 C ATOM 779 C GLN A 49 27.924 21.080 20.431 1.00 0.00 C ATOM 780 O GLN A 49 27.831 19.854 20.497 1.00 0.00 O ATOM 781 CB GLN A 49 27.884 21.940 22.763 1.00 0.00 C ATOM 782 CG GLN A 49 27.296 23.021 23.670 1.00 0.00 C ATOM 783 CD GLN A 49 27.823 22.855 25.091 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.245 23.396 26.034 1.00 0.00 O ATOM 785 NE2 GLN A 49 28.890 22.135 25.301 1.00 0.00 N ATOM 0 H GLN A 49 25.605 21.002 22.402 1.00 0.00 H new ATOM 0 HA GLN A 49 27.177 22.994 21.044 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.767 20.960 23.225 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.953 22.104 22.630 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.558 24.008 23.289 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.208 22.957 23.667 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.366 21.688 24.517 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.248 22.019 26.249 1.00 0.00 H new ATOM 794 N LEU A 50 28.640 21.698 19.507 1.00 0.00 N ATOM 795 CA LEU A 50 29.365 20.935 18.500 1.00 0.00 C ATOM 796 C LEU A 50 30.548 20.196 19.122 1.00 0.00 C ATOM 797 O LEU A 50 31.296 20.757 19.924 1.00 0.00 O ATOM 798 CB LEU A 50 29.845 21.870 17.390 1.00 0.00 C ATOM 799 CG LEU A 50 28.666 22.242 16.479 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.512 22.811 17.309 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.117 23.294 15.466 1.00 0.00 C ATOM 0 H LEU A 50 28.736 22.711 19.431 1.00 0.00 H new ATOM 0 HA LEU A 50 28.691 20.191 18.075 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.280 22.771 17.823 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.628 21.386 16.807 1.00 0.00 H new ATOM 0 HG LEU A 50 28.327 21.345 15.961 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.683 23.070 16.650 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.181 22.065 18.032 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.849 23.703 17.837 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.280 23.558 14.819 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.463 24.183 15.994 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.930 22.892 14.862 1.00 0.00 H new ATOM 813 N GLU A 51 30.702 18.927 18.741 1.00 0.00 N ATOM 814 CA GLU A 51 31.778 18.092 19.248 1.00 0.00 C ATOM 815 C GLU A 51 33.128 18.505 18.655 1.00 0.00 C ATOM 816 O GLU A 51 33.237 18.724 17.449 1.00 0.00 O ATOM 817 CB GLU A 51 31.483 16.632 18.913 1.00 0.00 C ATOM 818 CG GLU A 51 32.312 15.723 19.810 1.00 0.00 C ATOM 819 CD GLU A 51 32.117 14.267 19.397 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.979 13.829 19.371 1.00 0.00 O ATOM 821 OE2 GLU A 51 33.107 13.612 19.111 1.00 0.00 O ATOM 0 H GLU A 51 30.086 18.457 18.077 1.00 0.00 H new ATOM 0 HA GLU A 51 31.837 18.219 20.329 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.422 16.425 19.050 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.714 16.435 17.866 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.366 15.992 19.740 1.00 0.00 H new ATOM 0 HG3 GLU A 51 32.017 15.857 20.851 1.00 0.00 H new ATOM 828 N ASP A 52 34.132 18.609 19.515 1.00 0.00 N ATOM 829 CA ASP A 52 35.465 19.008 19.098 1.00 0.00 C ATOM 830 C ASP A 52 36.102 18.024 18.110 1.00 0.00 C ATOM 831 O ASP A 52 37.314 18.073 17.904 1.00 0.00 O ATOM 832 CB ASP A 52 36.368 19.129 20.328 1.00 0.00 C ATOM 833 CG ASP A 52 35.842 20.216 21.258 1.00 0.00 C ATOM 834 OD1 ASP A 52 35.342 21.207 20.754 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.951 20.042 22.462 1.00 0.00 O ATOM 0 H ASP A 52 34.045 18.420 20.514 1.00 0.00 H new ATOM 0 HA ASP A 52 35.365 19.966 18.588 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.407 18.176 20.855 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.386 19.365 20.019 1.00 0.00 H new ATOM 840 N GLY A 53 35.317 17.132 17.494 1.00 0.00 N ATOM 841 CA GLY A 53 35.909 16.173 16.550 1.00 0.00 C ATOM 842 C GLY A 53 34.917 15.646 15.508 1.00 0.00 C ATOM 843 O GLY A 53 35.170 14.606 14.898 1.00 0.00 O ATOM 0 H GLY A 53 34.308 17.052 17.623 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.744 16.650 16.036 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.318 15.331 17.109 1.00 0.00 H new ATOM 847 N ARG A 54 33.805 16.353 15.283 1.00 0.00 N ATOM 848 CA ARG A 54 32.815 15.911 14.282 1.00 0.00 C ATOM 849 C ARG A 54 32.848 16.808 13.042 1.00 0.00 C ATOM 850 O ARG A 54 33.560 17.817 12.994 1.00 0.00 O ATOM 851 CB ARG A 54 31.398 15.919 14.893 1.00 0.00 C ATOM 852 CG ARG A 54 31.146 14.607 15.663 1.00 0.00 C ATOM 853 CD ARG A 54 29.682 14.535 16.128 1.00 0.00 C ATOM 854 NE ARG A 54 29.581 13.716 17.334 1.00 0.00 N ATOM 855 CZ ARG A 54 29.521 12.390 17.269 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.441 11.687 18.365 1.00 0.00 N ATOM 857 NH2 ARG A 54 29.539 11.792 16.109 1.00 0.00 N ATOM 0 H ARG A 54 33.566 17.218 15.767 1.00 0.00 H new ATOM 0 HA ARG A 54 33.072 14.896 13.981 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.288 16.771 15.564 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.654 16.036 14.105 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.375 13.753 15.025 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.812 14.549 16.524 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.305 15.538 16.327 1.00 0.00 H new ATOM 0 HD3 ARG A 54 29.061 14.112 15.338 1.00 0.00 H new ATOM 0 HE ARG A 54 29.556 14.172 18.246 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.425 12.155 19.271 1.00 0.00 H new ATOM 0 HH12 ARG A 54 29.395 10.669 18.316 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.599 12.342 15.252 1.00 0.00 H new ATOM 0 HH22 ARG A 54 29.493 10.774 16.059 1.00 0.00 H new ATOM 871 N THR A 55 32.056 16.415 12.039 1.00 0.00 N ATOM 872 CA THR A 55 31.959 17.162 10.781 1.00 0.00 C ATOM 873 C THR A 55 30.612 17.874 10.697 1.00 0.00 C ATOM 874 O THR A 55 29.608 17.411 11.255 1.00 0.00 O ATOM 875 CB THR A 55 32.109 16.212 9.589 1.00 0.00 C ATOM 876 OG1 THR A 55 31.163 15.158 9.706 1.00 0.00 O ATOM 877 CG2 THR A 55 33.526 15.633 9.569 1.00 0.00 C ATOM 0 H THR A 55 31.471 15.580 12.075 1.00 0.00 H new ATOM 0 HA THR A 55 32.760 17.901 10.754 1.00 0.00 H new ATOM 0 HB THR A 55 31.932 16.758 8.662 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.390 15.348 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.631 14.957 8.720 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.249 16.444 9.479 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.708 15.085 10.494 1.00 0.00 H new ATOM 885 N LEU A 56 30.575 18.989 9.976 1.00 0.00 N ATOM 886 CA LEU A 56 29.332 19.713 9.827 1.00 0.00 C ATOM 887 C LEU A 56 28.289 18.794 9.209 1.00 0.00 C ATOM 888 O LEU A 56 27.114 18.872 9.548 1.00 0.00 O ATOM 889 CB LEU A 56 29.539 20.955 8.959 1.00 0.00 C ATOM 890 CG LEU A 56 30.229 22.059 9.777 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.655 21.628 10.146 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.288 23.333 8.937 1.00 0.00 C ATOM 0 H LEU A 56 31.377 19.399 9.497 1.00 0.00 H new ATOM 0 HA LEU A 56 28.984 20.042 10.806 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.145 20.704 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.579 21.313 8.587 1.00 0.00 H new ATOM 0 HG LEU A 56 29.665 22.238 10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.135 22.417 10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.617 20.714 10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.227 21.446 9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.776 24.123 9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.854 23.142 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.276 23.645 8.677 1.00 0.00 H new ATOM 904 N SER A 57 28.713 17.928 8.279 1.00 0.00 N ATOM 905 CA SER A 57 27.787 17.015 7.613 1.00 0.00 C ATOM 906 C SER A 57 26.855 16.342 8.616 1.00 0.00 C ATOM 907 O SER A 57 25.653 16.192 8.359 1.00 0.00 O ATOM 908 CB SER A 57 28.576 15.946 6.854 1.00 0.00 C ATOM 909 OG SER A 57 29.296 15.145 7.783 1.00 0.00 O ATOM 0 H SER A 57 29.683 17.844 7.976 1.00 0.00 H new ATOM 0 HA SER A 57 27.180 17.595 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 57 27.898 15.324 6.269 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.264 16.416 6.151 1.00 0.00 H new ATOM 0 HG SER A 57 29.802 14.458 7.300 1.00 0.00 H new ATOM 915 N ASP A 58 27.397 15.969 9.770 1.00 0.00 N ATOM 916 CA ASP A 58 26.581 15.350 10.801 1.00 0.00 C ATOM 917 C ASP A 58 25.537 16.357 11.251 1.00 0.00 C ATOM 918 O ASP A 58 24.378 16.018 11.514 1.00 0.00 O ATOM 919 CB ASP A 58 27.450 14.926 11.989 1.00 0.00 C ATOM 920 CG ASP A 58 26.600 14.202 13.030 1.00 0.00 C ATOM 921 OD1 ASP A 58 26.236 13.064 12.782 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.329 14.795 14.062 1.00 0.00 O ATOM 0 H ASP A 58 28.382 16.083 10.010 1.00 0.00 H new ATOM 0 HA ASP A 58 26.096 14.458 10.403 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.254 14.274 11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.919 15.802 12.437 1.00 0.00 H new ATOM 927 N TYR A 59 25.970 17.613 11.318 1.00 0.00 N ATOM 928 CA TYR A 59 25.095 18.706 11.725 1.00 0.00 C ATOM 929 C TYR A 59 24.310 19.271 10.531 1.00 0.00 C ATOM 930 O TYR A 59 23.472 20.156 10.702 1.00 0.00 O ATOM 931 CB TYR A 59 25.939 19.816 12.355 1.00 0.00 C ATOM 932 CG TYR A 59 26.453 19.364 13.707 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.791 18.975 13.854 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.592 19.334 14.812 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.267 18.557 15.102 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.069 18.917 16.061 1.00 0.00 C ATOM 937 CZ TYR A 59 27.406 18.527 16.206 1.00 0.00 C ATOM 938 OH TYR A 59 27.874 18.113 17.436 1.00 0.00 O ATOM 0 H TYR A 59 26.924 17.898 11.095 1.00 0.00 H new ATOM 0 HA TYR A 59 24.376 18.321 12.448 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.776 20.065 11.702 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.342 20.721 12.467 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.456 18.998 13.003 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.560 19.633 14.701 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.299 18.257 15.214 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.405 18.896 16.913 1.00 0.00 H new ATOM 0 HH TYR A 59 27.148 18.153 18.093 1.00 0.00 H new ATOM 948 N ASN A 60 24.576 18.758 9.325 1.00 0.00 N ATOM 949 CA ASN A 60 23.870 19.235 8.131 1.00 0.00 C ATOM 950 C ASN A 60 22.528 18.531 7.992 1.00 0.00 C ATOM 951 O ASN A 60 21.542 19.133 7.570 1.00 0.00 O ATOM 952 CB ASN A 60 24.707 18.999 6.872 1.00 0.00 C ATOM 953 CG ASN A 60 24.050 19.691 5.678 1.00 0.00 C ATOM 954 OD1 ASN A 60 22.854 19.979 5.708 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.766 19.978 4.625 1.00 0.00 N ATOM 0 H ASN A 60 25.263 18.025 9.151 1.00 0.00 H new ATOM 0 HA ASN A 60 23.703 20.306 8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.716 19.384 7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.798 17.930 6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.334 20.442 3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.757 19.739 4.602 1.00 0.00 H new ATOM 962 N ILE A 61 22.489 17.257 8.362 1.00 0.00 N ATOM 963 CA ILE A 61 21.237 16.502 8.286 1.00 0.00 C ATOM 964 C ILE A 61 20.224 17.121 9.245 1.00 0.00 C ATOM 965 O ILE A 61 19.082 17.398 8.877 1.00 0.00 O ATOM 966 CB ILE A 61 21.485 15.037 8.657 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.447 14.419 7.642 1.00 0.00 C ATOM 968 CG2 ILE A 61 20.160 14.272 8.641 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.931 13.060 8.153 1.00 0.00 C ATOM 0 H ILE A 61 23.290 16.730 8.711 1.00 0.00 H new ATOM 0 HA ILE A 61 20.847 16.541 7.269 1.00 0.00 H new ATOM 0 HB ILE A 61 21.919 14.980 9.655 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.949 14.300 6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.297 15.082 7.481 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.338 13.230 8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.474 14.717 9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.722 14.324 7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.616 12.622 7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.445 13.191 9.105 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.076 12.398 8.291 1.00 0.00 H new ATOM 981 N GLN A 62 20.668 17.326 10.483 1.00 0.00 N ATOM 982 CA GLN A 62 19.817 17.912 11.509 1.00 0.00 C ATOM 983 C GLN A 62 19.557 19.388 11.192 1.00 0.00 C ATOM 984 O GLN A 62 19.657 20.244 12.070 1.00 0.00 O ATOM 985 CB GLN A 62 20.516 17.802 12.872 1.00 0.00 C ATOM 986 CG GLN A 62 20.712 16.327 13.234 1.00 0.00 C ATOM 987 CD GLN A 62 19.364 15.678 13.529 1.00 0.00 C ATOM 988 OE1 GLN A 62 18.681 16.068 14.476 1.00 0.00 O ATOM 989 NE2 GLN A 62 18.937 14.706 12.769 1.00 0.00 N ATOM 0 H GLN A 62 21.611 17.095 10.797 1.00 0.00 H new ATOM 0 HA GLN A 62 18.867 17.378 11.535 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.480 18.310 12.839 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.920 18.298 13.638 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.204 15.805 12.413 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.364 16.241 14.103 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.505 14.385 11.985 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.036 14.268 12.959 1.00 0.00 H new ATOM 998 N LYS A 63 19.216 19.680 9.930 1.00 0.00 N ATOM 999 CA LYS A 63 18.938 21.055 9.512 1.00 0.00 C ATOM 1000 C LYS A 63 17.591 21.547 10.050 1.00 0.00 C ATOM 1001 O LYS A 63 16.693 21.890 9.278 1.00 0.00 O ATOM 1002 CB LYS A 63 18.950 21.166 7.975 1.00 0.00 C ATOM 1003 CG LYS A 63 18.976 22.642 7.557 1.00 0.00 C ATOM 1004 CD LYS A 63 19.193 22.755 6.045 1.00 0.00 C ATOM 1005 CE LYS A 63 18.890 24.187 5.592 1.00 0.00 C ATOM 1006 NZ LYS A 63 19.771 25.139 6.327 1.00 0.00 N ATOM 0 H LYS A 63 19.127 18.986 9.188 1.00 0.00 H new ATOM 0 HA LYS A 63 19.724 21.685 9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.821 20.650 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.069 20.677 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.039 23.124 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.772 23.165 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.221 22.492 5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.547 22.052 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.051 24.282 4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.843 24.425 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.650 26.095 5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.515 25.141 7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.763 24.845 6.223 1.00 0.00 H new ATOM 1020 N GLU A 64 17.459 21.599 11.378 1.00 0.00 N ATOM 1021 CA GLU A 64 16.221 22.072 11.996 1.00 0.00 C ATOM 1022 C GLU A 64 15.897 23.474 11.482 1.00 0.00 C ATOM 1023 O GLU A 64 14.749 23.783 11.168 1.00 0.00 O ATOM 1024 CB GLU A 64 16.389 22.118 13.521 1.00 0.00 C ATOM 1025 CG GLU A 64 16.587 20.701 14.065 1.00 0.00 C ATOM 1026 CD GLU A 64 16.739 20.741 15.584 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.358 21.741 16.173 1.00 0.00 O ATOM 1028 OE2 GLU A 64 17.235 19.774 16.135 1.00 0.00 O ATOM 0 H GLU A 64 18.186 21.323 12.038 1.00 0.00 H new ATOM 0 HA GLU A 64 15.409 21.391 11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.245 22.741 13.783 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.511 22.574 13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.737 20.076 13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.471 20.250 13.615 1.00 0.00 H new HETATM 1035 N SEP A 65 16.919 24.320 11.401 1.00 0.00 N HETATM 1036 CA SEP A 65 16.765 25.696 10.919 1.00 0.00 C HETATM 1037 CB SEP A 65 16.943 26.681 12.070 1.00 0.00 C HETATM 1038 OG SEP A 65 16.638 27.994 11.619 1.00 0.00 O HETATM 1039 C SEP A 65 17.802 25.972 9.835 1.00 0.00 C HETATM 1040 O SEP A 65 18.173 25.072 9.085 1.00 0.00 O HETATM 1041 P SEP A 65 16.563 29.148 12.632 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.502 28.721 13.811 1.00 0.00 O HETATM 1043 O2P SEP A 65 15.054 29.240 13.043 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.074 30.412 11.858 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.291 26.409 12.900 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.967 26.641 12.442 1.00 0.00 H new HETATM 0 HA SEP A 65 15.764 25.820 10.505 1.00 0.00 H new ATOM 1049 N THR A 66 18.279 27.212 9.769 1.00 0.00 N ATOM 1050 CA THR A 66 19.303 27.579 8.788 1.00 0.00 C ATOM 1051 C THR A 66 20.679 27.419 9.424 1.00 0.00 C ATOM 1052 O THR A 66 20.770 27.008 10.581 1.00 0.00 O ATOM 1053 CB THR A 66 19.097 29.034 8.335 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.566 29.794 9.414 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.123 29.066 7.159 1.00 0.00 C ATOM 0 H THR A 66 17.978 27.975 10.376 1.00 0.00 H new ATOM 0 HA THR A 66 19.226 26.929 7.916 1.00 0.00 H new ATOM 0 HB THR A 66 20.052 29.460 8.027 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.436 30.722 9.127 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.976 30.097 6.837 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.530 28.482 6.333 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.167 28.642 7.467 1.00 0.00 H new ATOM 1063 N LEU A 67 21.738 27.720 8.678 1.00 0.00 N ATOM 1064 CA LEU A 67 23.092 27.571 9.196 1.00 0.00 C ATOM 1065 C LEU A 67 23.464 28.752 10.084 1.00 0.00 C ATOM 1066 O LEU A 67 24.563 29.301 9.985 1.00 0.00 O ATOM 1067 CB LEU A 67 24.073 27.486 8.017 1.00 0.00 C ATOM 1068 CG LEU A 67 23.678 26.324 7.080 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.291 26.538 5.689 1.00 0.00 C ATOM 1070 CD2 LEU A 67 24.191 24.996 7.651 1.00 0.00 C ATOM 0 H LEU A 67 21.685 28.066 7.720 1.00 0.00 H new ATOM 0 HA LEU A 67 23.143 26.661 9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.072 28.426 7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.087 27.336 8.388 1.00 0.00 H new ATOM 0 HG LEU A 67 22.591 26.295 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.007 25.713 5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.925 27.476 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.377 26.577 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.909 24.180 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.277 25.033 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.752 24.829 8.635 1.00 0.00 H new ATOM 1082 N HIS A 68 22.539 29.109 10.961 1.00 0.00 N ATOM 1083 CA HIS A 68 22.762 30.204 11.892 1.00 0.00 C ATOM 1084 C HIS A 68 23.543 29.688 13.085 1.00 0.00 C ATOM 1085 O HIS A 68 23.069 28.825 13.827 1.00 0.00 O ATOM 1086 CB HIS A 68 21.421 30.768 12.364 1.00 0.00 C ATOM 1087 CG HIS A 68 21.655 31.873 13.357 1.00 0.00 C ATOM 1088 ND1 HIS A 68 20.643 32.364 14.167 1.00 0.00 N ATOM 1089 CD2 HIS A 68 22.778 32.593 13.681 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.171 33.337 14.931 1.00 0.00 C ATOM 1091 NE2 HIS A 68 22.470 33.518 14.675 1.00 0.00 N ATOM 0 H HIS A 68 21.628 28.658 11.048 1.00 0.00 H new ATOM 0 HA HIS A 68 23.324 30.995 11.395 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.855 31.146 11.513 1.00 0.00 H new ATOM 0 HB3 HIS A 68 20.824 29.978 12.819 1.00 0.00 H new ATOM 0 HD1 HIS A 68 19.674 32.045 14.181 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.752 32.462 13.233 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.613 33.903 15.662 1.00 0.00 H new ATOM 1100 N LEU A 69 24.753 30.207 13.256 1.00 0.00 N ATOM 1101 CA LEU A 69 25.620 29.791 14.345 1.00 0.00 C ATOM 1102 C LEU A 69 25.714 30.884 15.399 1.00 0.00 C ATOM 1103 O LEU A 69 25.984 32.040 15.077 1.00 0.00 O ATOM 1104 CB LEU A 69 27.016 29.480 13.765 1.00 0.00 C ATOM 1105 CG LEU A 69 27.712 28.378 14.581 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.761 28.783 16.064 1.00 0.00 C ATOM 1107 CD2 LEU A 69 26.952 27.041 14.426 1.00 0.00 C ATOM 0 H LEU A 69 25.155 30.921 12.649 1.00 0.00 H new ATOM 0 HA LEU A 69 25.211 28.901 14.824 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.921 29.165 12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.626 30.383 13.770 1.00 0.00 H new ATOM 0 HG LEU A 69 28.729 28.250 14.210 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.255 28.000 16.639 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.317 29.715 16.168 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.746 28.922 16.437 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.454 26.268 15.008 1.00 0.00 H new ATOM 0 HD22 LEU A 69 25.930 27.160 14.785 1.00 0.00 H new ATOM 0 HD23 LEU A 69 26.936 26.751 13.375 1.00 0.00 H new ATOM 1119 N VAL A 70 25.520 30.506 16.661 1.00 0.00 N ATOM 1120 CA VAL A 70 25.614 31.464 17.759 1.00 0.00 C ATOM 1121 C VAL A 70 26.937 31.279 18.485 1.00 0.00 C ATOM 1122 O VAL A 70 27.223 30.207 19.029 1.00 0.00 O ATOM 1123 CB VAL A 70 24.443 31.261 18.723 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.662 32.085 19.995 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.152 31.716 18.043 1.00 0.00 C ATOM 0 H VAL A 70 25.299 29.552 16.946 1.00 0.00 H new ATOM 0 HA VAL A 70 25.569 32.478 17.363 1.00 0.00 H new ATOM 0 HB VAL A 70 24.374 30.206 18.989 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.824 31.934 20.675 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.585 31.767 20.480 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.734 33.141 19.736 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.313 31.574 18.724 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.232 32.771 17.780 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.990 31.128 17.140 1.00 0.00 H new ATOM 1135 N LEU A 71 27.745 32.337 18.493 1.00 0.00 N ATOM 1136 CA LEU A 71 29.045 32.291 19.154 1.00 0.00 C ATOM 1137 C LEU A 71 28.926 32.707 20.615 1.00 0.00 C ATOM 1138 O LEU A 71 28.511 33.823 20.925 1.00 0.00 O ATOM 1139 CB LEU A 71 30.033 33.218 18.437 1.00 0.00 C ATOM 1140 CG LEU A 71 31.466 32.932 18.925 1.00 0.00 C ATOM 1141 CD1 LEU A 71 32.004 31.635 18.292 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.377 34.104 18.541 1.00 0.00 C ATOM 0 H LEU A 71 27.524 33.230 18.052 1.00 0.00 H new ATOM 0 HA LEU A 71 29.411 31.265 19.111 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.970 33.068 17.359 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.774 34.259 18.630 1.00 0.00 H new ATOM 0 HG LEU A 71 31.451 32.812 20.008 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.017 31.449 18.648 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.362 30.800 18.572 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.014 31.737 17.207 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.392 33.904 18.885 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.378 34.224 17.458 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.009 35.018 19.007 1.00 0.00 H new ATOM 1154 N ARG A 72 29.315 31.799 21.506 1.00 0.00 N ATOM 1155 CA ARG A 72 29.285 32.058 22.945 1.00 0.00 C ATOM 1156 C ARG A 72 30.705 32.334 23.436 1.00 0.00 C ATOM 1157 O ARG A 72 31.651 31.682 22.999 1.00 0.00 O ATOM 1158 CB ARG A 72 28.704 30.826 23.674 1.00 0.00 C ATOM 1159 CG ARG A 72 27.199 30.997 23.920 1.00 0.00 C ATOM 1160 CD ARG A 72 26.686 29.855 24.802 1.00 0.00 C ATOM 1161 NE ARG A 72 25.234 29.763 24.705 1.00 0.00 N ATOM 1162 CZ ARG A 72 24.544 28.941 25.488 1.00 0.00 C ATOM 1163 NH1 ARG A 72 23.245 28.876 25.384 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.167 28.197 26.361 1.00 0.00 N ATOM 0 H ARG A 72 29.657 30.871 21.256 1.00 0.00 H new ATOM 0 HA ARG A 72 28.658 32.925 23.153 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.880 29.930 23.079 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.218 30.684 24.624 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.006 31.956 24.401 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.664 31.004 22.970 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.140 28.914 24.492 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.979 30.025 25.838 1.00 0.00 H new ATOM 0 HE ARG A 72 24.740 30.340 24.024 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.758 29.457 24.701 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.716 28.245 25.986 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.183 28.247 26.441 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.638 27.566 26.963 1.00 0.00 H new ATOM 1178 N LEU A 73 30.846 33.294 24.347 1.00 0.00 N ATOM 1179 CA LEU A 73 32.163 33.638 24.900 1.00 0.00 C ATOM 1180 C LEU A 73 32.154 33.513 26.420 1.00 0.00 C ATOM 1181 O LEU A 73 31.221 33.973 27.081 1.00 0.00 O ATOM 1182 CB LEU A 73 32.544 35.068 24.500 1.00 0.00 C ATOM 1183 CG LEU A 73 34.046 35.309 24.768 1.00 0.00 C ATOM 1184 CD1 LEU A 73 34.886 34.830 23.574 1.00 0.00 C ATOM 1185 CD2 LEU A 73 34.298 36.805 24.986 1.00 0.00 C ATOM 0 H LEU A 73 30.073 33.847 24.719 1.00 0.00 H new ATOM 0 HA LEU A 73 32.899 32.943 24.495 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.324 35.230 23.445 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.946 35.784 25.064 1.00 0.00 H new ATOM 0 HG LEU A 73 34.334 34.749 25.658 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.942 35.007 23.778 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.720 33.764 23.417 1.00 0.00 H new ATOM 0 HD13 LEU A 73 34.593 35.379 22.679 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.359 36.972 25.175 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.997 37.358 24.096 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.718 37.151 25.842 1.00 0.00 H new ATOM 1197 N ARG A 74 33.196 32.889 26.971 1.00 0.00 N ATOM 1198 CA ARG A 74 33.292 32.714 28.420 1.00 0.00 C ATOM 1199 C ARG A 74 33.824 33.981 29.081 1.00 0.00 C ATOM 1200 O ARG A 74 34.913 34.453 28.755 1.00 0.00 O ATOM 1201 CB ARG A 74 34.218 31.539 28.739 1.00 0.00 C ATOM 1202 CG ARG A 74 33.843 30.338 27.866 1.00 0.00 C ATOM 1203 CD ARG A 74 32.377 29.968 28.101 1.00 0.00 C ATOM 1204 NE ARG A 74 32.065 30.031 29.526 1.00 0.00 N ATOM 1205 CZ ARG A 74 30.807 30.062 29.954 1.00 0.00 C ATOM 1206 NH1 ARG A 74 30.554 30.106 31.234 1.00 0.00 N ATOM 1207 NH2 ARG A 74 29.825 30.051 29.095 1.00 0.00 N ATOM 0 H ARG A 74 33.977 32.500 26.443 1.00 0.00 H new ATOM 0 HA ARG A 74 32.295 32.509 28.811 1.00 0.00 H new ATOM 0 HB2 ARG A 74 35.255 31.822 28.560 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.137 31.275 29.793 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.004 30.576 26.815 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.485 29.489 28.103 1.00 0.00 H new ATOM 0 HD2 ARG A 74 31.729 30.649 27.549 1.00 0.00 H new ATOM 0 HD3 ARG A 74 32.182 28.965 27.722 1.00 0.00 H new ATOM 0 HE ARG A 74 32.826 30.052 30.205 1.00 0.00 H new ATOM 0 HH11 ARG A 74 31.322 30.117 31.906 1.00 0.00 H new ATOM 0 HH12 ARG A 74 29.589 30.130 31.563 1.00 0.00 H new ATOM 0 HH21 ARG A 74 30.023 30.019 28.095 1.00 0.00 H new ATOM 0 HH22 ARG A 74 28.860 30.075 29.424 1.00 0.00 H new ATOM 1221 N GLY A 75 33.046 34.527 30.010 1.00 0.00 N ATOM 1222 CA GLY A 75 33.445 35.742 30.711 1.00 0.00 C ATOM 1223 C GLY A 75 34.741 35.529 31.485 1.00 0.00 C ATOM 1224 O GLY A 75 35.716 36.256 31.293 1.00 0.00 O ATOM 0 H GLY A 75 32.141 34.150 30.294 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.575 36.553 29.994 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.654 36.046 31.397 1.00 0.00 H new ATOM 1228 N GLY A 76 34.745 34.529 32.360 1.00 0.00 N ATOM 1229 CA GLY A 76 35.928 34.230 33.159 1.00 0.00 C ATOM 1230 C GLY A 76 35.555 33.450 34.414 1.00 0.00 C ATOM 1231 O GLY A 76 36.368 33.405 35.323 1.00 0.00 O ATOM 1232 OXT GLY A 76 34.462 32.909 34.449 1.00 0.00 O ATOM 0 H GLY A 76 33.949 33.916 32.533 1.00 0.00 H new ATOM 0 HA2 GLY A 76 36.637 33.653 32.565 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.427 35.158 33.438 1.00 0.00 H new TER 1236 GLY A 76