USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 251 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 12 CFD HNA : A 12 CFD N : A 11 SER C :(H bumps) USER MOD NoAdj-H: A 12 CFD H : A 12 CFD C : A 13 ARG N :(H bumps) USER MOD Set 1.1: A 18 ASN : amide:sc= 0.969 K(o=0.74,f=-10!) USER MOD Set 1.2: A 21 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 1 LYS N :NH3+ -165:sc= 0.768 (180deg=0.202) USER MOD Single : A 1 LYS NZ :NH3+ -156:sc= 2.36 (180deg=0.99) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= 2.45 (180deg=1.26) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -43:sc= 1.05 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.7!) USER MOD Single : A 22 ASN : amide:sc= 0.261 X(o=0.26,f=-0.1) USER MOD Single : A 24 SER OG : rot 61:sc= 1.13 USER MOD Single : A 25 GLN : amide:sc= 1.23 K(o=1.2,f=-0.075) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00514 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.268 8.860 4.251 1.00 0.00 N ATOM 2 CA LYS A 1 -13.034 9.685 4.262 1.00 0.00 C ATOM 3 C LYS A 1 -11.744 8.861 4.311 1.00 0.00 C ATOM 4 O LYS A 1 -10.716 9.362 3.850 1.00 0.00 O ATOM 5 CB LYS A 1 -13.053 10.836 5.282 1.00 0.00 C ATOM 6 CG LYS A 1 -14.133 11.911 5.021 1.00 0.00 C ATOM 7 CD LYS A 1 -14.435 12.258 3.549 1.00 0.00 C ATOM 8 CE LYS A 1 -13.198 12.542 2.679 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.429 12.111 1.280 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.076 9.448 3.965 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.155 8.075 3.578 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.438 8.477 5.203 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.032 10.174 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.207 10.419 6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.075 11.316 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.060 11.580 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.830 12.826 5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.991 11.433 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.086 13.132 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.968 13.607 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.333 12.020 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.516 11.924 0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.003 11.244 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.930 12.862 0.764 1.00 0.00 H new ATOM 25 N LEU A 2 -11.766 7.641 4.863 1.00 0.00 N ATOM 26 CA LEU A 2 -10.684 6.660 4.787 1.00 0.00 C ATOM 27 C LEU A 2 -11.358 5.271 4.759 1.00 0.00 C ATOM 28 O LEU A 2 -12.001 4.916 5.748 1.00 0.00 O ATOM 29 CB LEU A 2 -9.728 6.859 5.983 1.00 0.00 C ATOM 30 CG LEU A 2 -8.364 6.149 5.851 1.00 0.00 C ATOM 31 CD1 LEU A 2 -7.435 6.625 6.970 1.00 0.00 C ATOM 32 CD2 LEU A 2 -8.455 4.624 5.919 1.00 0.00 C ATOM 0 H LEU A 2 -12.568 7.301 5.393 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.069 6.770 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.554 7.927 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.221 6.501 6.887 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.979 6.408 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.471 6.125 6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.294 7.703 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.878 6.386 7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.458 4.195 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.883 4.327 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.089 4.261 5.110 1.00 0.00 H new ATOM 44 N PRO A 3 -11.300 4.514 3.644 1.00 0.00 N ATOM 45 CA PRO A 3 -12.020 3.250 3.511 1.00 0.00 C ATOM 46 C PRO A 3 -11.286 2.073 4.187 1.00 0.00 C ATOM 47 O PRO A 3 -10.053 2.045 4.203 1.00 0.00 O ATOM 48 CB PRO A 3 -12.179 3.033 2.005 1.00 0.00 C ATOM 49 CG PRO A 3 -10.925 3.693 1.438 1.00 0.00 C ATOM 50 CD PRO A 3 -10.703 4.886 2.369 1.00 0.00 C ATOM 0 HA PRO A 3 -12.984 3.294 4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.229 1.974 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.089 3.496 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.074 3.012 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.069 4.010 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.640 5.100 2.483 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.168 5.786 1.968 1.00 0.00 H new ATOM 58 N PRO A 4 -12.020 1.069 4.706 1.00 0.00 N ATOM 59 CA PRO A 4 -11.433 -0.127 5.308 1.00 0.00 C ATOM 60 C PRO A 4 -10.762 -1.037 4.263 1.00 0.00 C ATOM 61 O PRO A 4 -10.953 -0.882 3.056 1.00 0.00 O ATOM 62 CB PRO A 4 -12.600 -0.826 6.016 1.00 0.00 C ATOM 63 CG PRO A 4 -13.798 -0.457 5.142 1.00 0.00 C ATOM 64 CD PRO A 4 -13.474 0.975 4.719 1.00 0.00 C ATOM 0 HA PRO A 4 -10.631 0.125 6.002 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.454 -1.905 6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.722 -0.472 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.893 -1.122 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.736 -0.514 5.695 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.888 1.195 3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.906 1.695 5.415 1.00 0.00 H new ATOM 72 N GLY A 5 -9.987 -2.017 4.742 1.00 0.00 N ATOM 73 CA GLY A 5 -9.335 -3.020 3.891 1.00 0.00 C ATOM 74 C GLY A 5 -7.992 -2.585 3.292 1.00 0.00 C ATOM 75 O GLY A 5 -7.521 -3.227 2.354 1.00 0.00 O ATOM 0 H GLY A 5 -9.793 -2.137 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.178 -3.926 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.012 -3.280 3.077 1.00 0.00 H new ATOM 79 N TRP A 6 -7.362 -1.532 3.823 1.00 0.00 N ATOM 80 CA TRP A 6 -6.058 -1.027 3.379 1.00 0.00 C ATOM 81 C TRP A 6 -5.012 -1.004 4.505 1.00 0.00 C ATOM 82 O TRP A 6 -5.344 -1.076 5.687 1.00 0.00 O ATOM 83 CB TRP A 6 -6.218 0.366 2.767 1.00 0.00 C ATOM 84 CG TRP A 6 -6.929 0.459 1.451 1.00 0.00 C ATOM 85 CD1 TRP A 6 -8.265 0.409 1.255 1.00 0.00 C ATOM 86 CD2 TRP A 6 -6.345 0.709 0.136 1.00 0.00 C ATOM 87 NE1 TRP A 6 -8.546 0.601 -0.083 1.00 0.00 N ATOM 88 CE2 TRP A 6 -7.399 0.843 -0.815 1.00 0.00 C ATOM 89 CE3 TRP A 6 -5.031 0.900 -0.333 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -7.159 1.215 -2.147 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.770 1.190 -1.685 1.00 0.00 C ATOM 92 CH2 TRP A 6 -5.833 1.356 -2.589 1.00 0.00 C ATOM 0 H TRP A 6 -7.755 -0.993 4.594 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.686 -1.719 2.623 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.751 0.991 3.484 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.224 0.798 2.645 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -9.001 0.244 2.028 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -9.484 0.568 -0.482 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.206 0.822 0.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.983 1.390 -2.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.751 1.285 -2.029 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.631 1.592 -3.623 1.00 0.00 H new ATOM 103 N GLU A 7 -3.737 -0.912 4.118 1.00 0.00 N ATOM 104 CA GLU A 7 -2.563 -0.927 4.989 1.00 0.00 C ATOM 105 C GLU A 7 -1.442 -0.025 4.421 1.00 0.00 C ATOM 106 O GLU A 7 -1.382 0.210 3.211 1.00 0.00 O ATOM 107 CB GLU A 7 -2.109 -2.394 5.103 1.00 0.00 C ATOM 108 CG GLU A 7 -1.791 -2.854 6.527 1.00 0.00 C ATOM 109 CD GLU A 7 -0.444 -2.291 6.968 1.00 0.00 C ATOM 110 OE1 GLU A 7 0.585 -2.944 6.672 1.00 0.00 O ATOM 111 OE2 GLU A 7 -0.429 -1.163 7.513 1.00 0.00 O ATOM 0 H GLU A 7 -3.484 -0.820 3.134 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.803 -0.529 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.890 -3.035 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.224 -2.536 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.574 -2.522 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.771 -3.943 6.570 1.00 0.00 H new ATOM 118 N LYS A 8 -0.531 0.456 5.279 1.00 0.00 N ATOM 119 CA LYS A 8 0.578 1.360 4.915 1.00 0.00 C ATOM 120 C LYS A 8 1.904 0.618 4.737 1.00 0.00 C ATOM 121 O LYS A 8 2.209 -0.315 5.482 1.00 0.00 O ATOM 122 CB LYS A 8 0.675 2.549 5.895 1.00 0.00 C ATOM 123 CG LYS A 8 0.842 2.203 7.386 1.00 0.00 C ATOM 124 CD LYS A 8 2.294 1.907 7.815 1.00 0.00 C ATOM 125 CE LYS A 8 2.424 0.732 8.797 1.00 0.00 C ATOM 126 NZ LYS A 8 2.060 -0.562 8.172 1.00 0.00 N ATOM 0 H LYS A 8 -0.542 0.223 6.272 1.00 0.00 H new ATOM 0 HA LYS A 8 0.349 1.779 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.518 3.171 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.224 3.155 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.462 3.032 7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.224 1.335 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.889 1.694 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.716 2.801 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.448 0.680 9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.783 0.910 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.441 -1.343 8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.024 -0.644 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.459 -0.608 7.213 1.00 0.00 H new ATOM 140 N ARG A 9 2.714 1.054 3.767 1.00 0.00 N ATOM 141 CA ARG A 9 3.981 0.418 3.376 1.00 0.00 C ATOM 142 C ARG A 9 5.029 1.459 2.966 1.00 0.00 C ATOM 143 O ARG A 9 4.715 2.634 2.785 1.00 0.00 O ATOM 144 CB ARG A 9 3.709 -0.569 2.223 1.00 0.00 C ATOM 145 CG ARG A 9 2.717 -1.703 2.529 1.00 0.00 C ATOM 146 CD ARG A 9 3.217 -2.647 3.635 1.00 0.00 C ATOM 147 NE ARG A 9 2.108 -3.305 4.336 1.00 0.00 N ATOM 148 CZ ARG A 9 1.403 -4.349 3.936 1.00 0.00 C ATOM 149 NH1 ARG A 9 1.555 -4.905 2.757 1.00 0.00 N ATOM 150 NH2 ARG A 9 0.515 -4.820 4.766 1.00 0.00 N ATOM 0 H ARG A 9 2.502 1.884 3.214 1.00 0.00 H new ATOM 0 HA ARG A 9 4.386 -0.121 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.334 -0.005 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.657 -1.014 1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.761 -1.273 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.537 -2.278 1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.870 -3.403 3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.815 -2.083 4.351 1.00 0.00 H new ATOM 0 HE ARG A 9 1.851 -2.909 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.242 -4.532 2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.986 -5.710 2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.389 -4.384 5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.053 -5.625 4.502 1.00 0.00 H new ATOM 164 N MET A 10 6.283 1.028 2.828 1.00 0.00 N ATOM 165 CA MET A 10 7.427 1.898 2.565 1.00 0.00 C ATOM 166 C MET A 10 8.158 1.474 1.289 1.00 0.00 C ATOM 167 O MET A 10 8.440 0.296 1.083 1.00 0.00 O ATOM 168 CB MET A 10 8.368 1.896 3.781 1.00 0.00 C ATOM 169 CG MET A 10 7.839 2.727 4.960 1.00 0.00 C ATOM 170 SD MET A 10 6.472 2.005 5.915 1.00 0.00 S ATOM 171 CE MET A 10 6.136 3.384 7.040 1.00 0.00 C ATOM 0 H MET A 10 6.536 0.042 2.898 1.00 0.00 H new ATOM 0 HA MET A 10 7.070 2.915 2.405 1.00 0.00 H new ATOM 0 HB2 MET A 10 8.523 0.868 4.110 1.00 0.00 H new ATOM 0 HB3 MET A 10 9.341 2.284 3.479 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.668 2.917 5.642 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.513 3.694 4.576 1.00 0.00 H new ATOM 0 HE1 MET A 10 5.317 3.118 7.708 1.00 0.00 H new ATOM 0 HE2 MET A 10 7.028 3.599 7.628 1.00 0.00 H new ATOM 0 HE3 MET A 10 5.861 4.266 6.462 1.00 0.00 H new ATOM 181 N SER A 11 8.492 2.462 0.454 1.00 0.00 N ATOM 182 CA SER A 11 9.223 2.349 -0.812 1.00 0.00 C ATOM 183 C SER A 11 10.595 3.041 -0.697 1.00 0.00 C ATOM 184 O SER A 11 10.998 3.799 -1.583 1.00 0.00 O ATOM 185 CB SER A 11 8.347 2.915 -1.943 1.00 0.00 C ATOM 186 OG SER A 11 9.070 2.991 -3.149 1.00 0.00 O ATOM 0 H SER A 11 8.241 3.429 0.659 1.00 0.00 H new ATOM 0 HA SER A 11 9.430 1.305 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.470 2.283 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.986 3.906 -1.668 1.00 0.00 H new ATOM 0 HG SER A 11 9.970 3.334 -2.970 1.00 0.00 H new HETATM 192 N CFD A 12 11.273 2.821 0.432 1.00 0.00 N HETATM 193 CA CFD A 12 12.504 3.493 0.802 1.00 0.00 C HETATM 194 C CFD A 12 10.861 7.749 1.521 1.00 0.00 C HETATM 195 O CFD A 12 10.471 8.778 2.070 1.00 0.00 O HETATM 196 CB2 CFD A 12 13.388 2.535 1.605 1.00 0.00 C HETATM 197 CB1 CFD A 12 12.203 4.784 1.557 1.00 0.00 C HETATM 198 CG1 CFD A 12 12.618 5.965 1.023 1.00 0.00 C HETATM 199 CG2 CFD A 12 11.389 4.677 2.847 1.00 0.00 C HETATM 200 CD CFD A 12 12.337 7.332 1.645 1.00 0.00 C HETATM 201 CE CFD A 12 13.247 8.387 0.999 1.00 0.00 C HETATM 0 HG2B CFD A 12 10.415 4.240 2.627 1.00 0.00 H new HETATM 0 HG2A CFD A 12 11.918 4.045 3.560 1.00 0.00 H new HETATM 0 HB2B CFD A 12 12.861 2.222 2.506 1.00 0.00 H new HETATM 0 HB2A CFD A 12 13.621 1.660 0.998 1.00 0.00 H new HETATM 0 H1G1 CFD A 12 13.186 5.934 0.093 1.00 0.00 H new HETATM 0 HN CFD A 12 11.116 1.853 0.714 1.00 0.00 H new HETATM 0 HG2 CFD A 12 11.253 5.670 3.275 1.00 0.00 H new HETATM 0 HEB CFD A 12 12.994 8.488 -0.056 1.00 0.00 H new HETATM 0 HEA CFD A 12 13.106 9.345 1.499 1.00 0.00 H new HETATM 0 HE CFD A 12 14.288 8.078 1.095 1.00 0.00 H new HETATM 0 HD CFD A 12 12.551 7.258 2.711 1.00 0.00 H new HETATM 0 HB2 CFD A 12 14.313 3.040 1.883 1.00 0.00 H new HETATM 0 HA CFD A 12 13.054 3.778 -0.095 1.00 0.00 H new ATOM 206 N ARG A 13 10.038 6.974 0.796 1.00 0.00 N ATOM 207 CA ARG A 13 8.653 7.319 0.445 1.00 0.00 C ATOM 208 C ARG A 13 7.661 6.309 1.033 1.00 0.00 C ATOM 209 O ARG A 13 7.862 5.100 0.920 1.00 0.00 O ATOM 210 CB ARG A 13 8.541 7.433 -1.091 1.00 0.00 C ATOM 211 CG ARG A 13 7.694 8.621 -1.574 1.00 0.00 C ATOM 212 CD ARG A 13 6.197 8.484 -1.283 1.00 0.00 C ATOM 213 NE ARG A 13 5.450 9.646 -1.782 1.00 0.00 N ATOM 214 CZ ARG A 13 4.153 9.883 -1.630 1.00 0.00 C ATOM 215 NH1 ARG A 13 3.333 9.043 -1.040 1.00 0.00 N ATOM 216 NH2 ARG A 13 3.674 11.008 -2.099 1.00 0.00 N ATOM 0 H ARG A 13 10.326 6.067 0.429 1.00 0.00 H new ATOM 0 HA ARG A 13 8.391 8.282 0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.543 7.520 -1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.110 6.511 -1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.063 9.531 -1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.834 8.740 -2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.815 7.576 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.041 8.382 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 13 5.984 10.344 -2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.686 8.159 -0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.344 9.275 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.293 11.671 -2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.682 11.221 -1.999 1.00 0.00 H new ATOM 230 N VAL A 14 6.567 6.801 1.620 1.00 0.00 N ATOM 231 CA VAL A 14 5.420 5.987 2.047 1.00 0.00 C ATOM 232 C VAL A 14 4.479 5.689 0.868 1.00 0.00 C ATOM 233 O VAL A 14 4.256 6.548 0.008 1.00 0.00 O ATOM 234 CB VAL A 14 4.698 6.652 3.241 1.00 0.00 C ATOM 235 CG1 VAL A 14 3.967 7.951 2.870 1.00 0.00 C ATOM 236 CG2 VAL A 14 3.709 5.698 3.925 1.00 0.00 C ATOM 0 H VAL A 14 6.449 7.795 1.817 1.00 0.00 H new ATOM 0 HA VAL A 14 5.785 5.021 2.395 1.00 0.00 H new ATOM 0 HB VAL A 14 5.498 6.904 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.483 8.362 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.684 8.673 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.214 7.741 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.226 6.210 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.953 5.381 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.244 4.825 4.297 1.00 0.00 H new ATOM 246 N TYR A 15 3.915 4.478 0.851 1.00 0.00 N ATOM 247 CA TYR A 15 2.845 4.062 -0.055 1.00 0.00 C ATOM 248 C TYR A 15 1.731 3.318 0.698 1.00 0.00 C ATOM 249 O TYR A 15 1.877 2.947 1.867 1.00 0.00 O ATOM 250 CB TYR A 15 3.414 3.280 -1.255 1.00 0.00 C ATOM 251 CG TYR A 15 3.749 1.811 -1.057 1.00 0.00 C ATOM 252 CD1 TYR A 15 2.791 0.822 -1.360 1.00 0.00 C ATOM 253 CD2 TYR A 15 5.054 1.435 -0.689 1.00 0.00 C ATOM 254 CE1 TYR A 15 3.139 -0.542 -1.302 1.00 0.00 C ATOM 255 CE2 TYR A 15 5.415 0.074 -0.653 1.00 0.00 C ATOM 256 CZ TYR A 15 4.457 -0.918 -0.963 1.00 0.00 C ATOM 257 OH TYR A 15 4.790 -2.235 -0.904 1.00 0.00 O ATOM 0 H TYR A 15 4.202 3.736 1.490 1.00 0.00 H new ATOM 0 HA TYR A 15 2.372 4.951 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.695 3.351 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.321 3.788 -1.584 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.788 1.111 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.781 2.192 -0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.399 -1.299 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.423 -0.211 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 15 5.735 -2.323 -0.658 1.00 0.00 H new ATOM 267 N TYR A 16 0.594 3.122 0.029 1.00 0.00 N ATOM 268 CA TYR A 16 -0.607 2.510 0.587 1.00 0.00 C ATOM 269 C TYR A 16 -1.031 1.309 -0.263 1.00 0.00 C ATOM 270 O TYR A 16 -0.951 1.334 -1.495 1.00 0.00 O ATOM 271 CB TYR A 16 -1.705 3.580 0.702 1.00 0.00 C ATOM 272 CG TYR A 16 -2.542 3.506 1.964 1.00 0.00 C ATOM 273 CD1 TYR A 16 -1.939 3.706 3.223 1.00 0.00 C ATOM 274 CD2 TYR A 16 -3.933 3.317 1.879 1.00 0.00 C ATOM 275 CE1 TYR A 16 -2.721 3.694 4.396 1.00 0.00 C ATOM 276 CE2 TYR A 16 -4.726 3.352 3.040 1.00 0.00 C ATOM 277 CZ TYR A 16 -4.120 3.521 4.303 1.00 0.00 C ATOM 278 OH TYR A 16 -4.886 3.525 5.426 1.00 0.00 O ATOM 0 H TYR A 16 0.483 3.395 -0.948 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.412 2.126 1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.239 4.564 0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.366 3.495 -0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.873 3.869 3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.394 3.144 0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.253 3.817 5.361 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.799 3.250 2.965 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.469 4.097 6.104 1.00 0.00 H new ATOM 288 N PHE A 17 -1.474 0.242 0.403 1.00 0.00 N ATOM 289 CA PHE A 17 -1.748 -1.055 -0.210 1.00 0.00 C ATOM 290 C PHE A 17 -3.090 -1.629 0.241 1.00 0.00 C ATOM 291 O PHE A 17 -3.531 -1.432 1.374 1.00 0.00 O ATOM 292 CB PHE A 17 -0.551 -1.988 0.047 1.00 0.00 C ATOM 293 CG PHE A 17 -0.826 -3.405 0.523 1.00 0.00 C ATOM 294 CD1 PHE A 17 -1.398 -3.622 1.791 1.00 0.00 C ATOM 295 CD2 PHE A 17 -0.472 -4.512 -0.270 1.00 0.00 C ATOM 296 CE1 PHE A 17 -1.663 -4.923 2.248 1.00 0.00 C ATOM 297 CE2 PHE A 17 -0.709 -5.817 0.197 1.00 0.00 C ATOM 298 CZ PHE A 17 -1.323 -6.025 1.445 1.00 0.00 C ATOM 0 H PHE A 17 -1.656 0.258 1.407 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.854 -0.940 -1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.022 -2.054 -0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.091 -1.508 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.636 -2.777 2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.018 -4.359 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.126 -5.076 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.418 -6.664 -0.406 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.533 -7.028 1.785 1.00 0.00 H new ATOM 308 N ASN A 18 -3.730 -2.362 -0.664 1.00 0.00 N ATOM 309 CA ASN A 18 -5.013 -3.011 -0.429 1.00 0.00 C ATOM 310 C ASN A 18 -4.786 -4.394 0.198 1.00 0.00 C ATOM 311 O ASN A 18 -4.164 -5.268 -0.400 1.00 0.00 O ATOM 312 CB ASN A 18 -5.784 -3.059 -1.751 1.00 0.00 C ATOM 313 CG ASN A 18 -7.199 -3.599 -1.605 1.00 0.00 C ATOM 314 OD1 ASN A 18 -7.455 -4.609 -0.964 1.00 0.00 O ATOM 315 ND2 ASN A 18 -8.161 -2.991 -2.273 1.00 0.00 N ATOM 0 H ASN A 18 -3.362 -2.524 -1.601 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.619 -2.449 0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.828 -2.056 -2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.237 -3.681 -2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.110 -3.364 -2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.955 -2.148 -2.810 1.00 0.00 H new ATOM 322 N HIS A 19 -5.343 -4.612 1.393 1.00 0.00 N ATOM 323 CA HIS A 19 -5.119 -5.813 2.199 1.00 0.00 C ATOM 324 C HIS A 19 -5.810 -7.064 1.622 1.00 0.00 C ATOM 325 O HIS A 19 -5.533 -8.167 2.100 1.00 0.00 O ATOM 326 CB HIS A 19 -5.520 -5.487 3.653 1.00 0.00 C ATOM 327 CG HIS A 19 -4.917 -6.384 4.711 1.00 0.00 C ATOM 328 ND1 HIS A 19 -4.734 -7.749 4.615 1.00 0.00 N ATOM 329 CD2 HIS A 19 -4.488 -5.997 5.950 1.00 0.00 C ATOM 330 CE1 HIS A 19 -4.203 -8.190 5.771 1.00 0.00 C ATOM 331 NE2 HIS A 19 -4.045 -7.135 6.599 1.00 0.00 N ATOM 0 H HIS A 19 -5.975 -3.944 1.835 1.00 0.00 H new ATOM 0 HA HIS A 19 -4.063 -6.083 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.234 -4.457 3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.606 -5.540 3.733 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.962 -8.326 3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.494 -4.993 6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.947 -9.214 5.998 1.00 0.00 H new ATOM 340 N ILE A 20 -6.675 -6.909 0.613 1.00 0.00 N ATOM 341 CA ILE A 20 -7.330 -8.002 -0.112 1.00 0.00 C ATOM 342 C ILE A 20 -6.757 -8.096 -1.534 1.00 0.00 C ATOM 343 O ILE A 20 -6.126 -9.089 -1.891 1.00 0.00 O ATOM 344 CB ILE A 20 -8.871 -7.820 -0.109 1.00 0.00 C ATOM 345 CG1 ILE A 20 -9.400 -7.514 1.314 1.00 0.00 C ATOM 346 CG2 ILE A 20 -9.537 -9.073 -0.707 1.00 0.00 C ATOM 347 CD1 ILE A 20 -10.917 -7.301 1.398 1.00 0.00 C ATOM 0 H ILE A 20 -6.947 -5.988 0.268 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.126 -8.946 0.394 1.00 0.00 H new ATOM 0 HB ILE A 20 -9.128 -6.961 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.124 -8.336 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.899 -6.622 1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -10.620 -8.946 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.190 -9.216 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.273 -9.946 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.199 -7.092 2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.202 -6.459 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -11.430 -8.200 1.057 1.00 0.00 H new ATOM 359 N THR A 21 -6.929 -7.043 -2.341 1.00 0.00 N ATOM 360 CA THR A 21 -6.601 -7.071 -3.779 1.00 0.00 C ATOM 361 C THR A 21 -5.111 -6.882 -4.068 1.00 0.00 C ATOM 362 O THR A 21 -4.701 -7.030 -5.215 1.00 0.00 O ATOM 363 CB THR A 21 -7.407 -6.036 -4.584 1.00 0.00 C ATOM 364 OG1 THR A 21 -6.944 -4.736 -4.318 1.00 0.00 O ATOM 365 CG2 THR A 21 -8.912 -6.076 -4.311 1.00 0.00 C ATOM 0 H THR A 21 -7.298 -6.148 -2.021 1.00 0.00 H new ATOM 0 HA THR A 21 -6.882 -8.073 -4.102 1.00 0.00 H new ATOM 0 HB THR A 21 -7.254 -6.302 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.466 -4.090 -4.838 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.412 -5.318 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.302 -7.061 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.096 -5.878 -3.255 1.00 0.00 H new ATOM 373 N ASN A 22 -4.303 -6.540 -3.051 1.00 0.00 N ATOM 374 CA ASN A 22 -2.872 -6.236 -3.128 1.00 0.00 C ATOM 375 C ASN A 22 -2.507 -5.039 -4.041 1.00 0.00 C ATOM 376 O ASN A 22 -1.333 -4.654 -4.118 1.00 0.00 O ATOM 377 CB ASN A 22 -2.106 -7.541 -3.395 1.00 0.00 C ATOM 378 CG ASN A 22 -2.086 -8.498 -2.203 1.00 0.00 C ATOM 379 OD1 ASN A 22 -1.056 -8.706 -1.584 1.00 0.00 O ATOM 380 ND2 ASN A 22 -3.190 -9.121 -1.830 1.00 0.00 N ATOM 0 H ASN A 22 -4.657 -6.465 -2.097 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.543 -5.850 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.556 -8.048 -4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.080 -7.299 -3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.171 -9.762 -1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.062 -8.960 -2.335 1.00 0.00 H new ATOM 387 N ALA A 23 -3.508 -4.382 -4.653 1.00 0.00 N ATOM 388 CA ALA A 23 -3.358 -3.119 -5.370 1.00 0.00 C ATOM 389 C ALA A 23 -2.606 -2.118 -4.483 1.00 0.00 C ATOM 390 O ALA A 23 -2.948 -1.929 -3.314 1.00 0.00 O ATOM 391 CB ALA A 23 -4.741 -2.598 -5.773 1.00 0.00 C ATOM 0 H ALA A 23 -4.467 -4.731 -4.658 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.776 -3.263 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.633 -1.655 -6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.231 -3.327 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.345 -2.440 -4.879 1.00 0.00 H new ATOM 397 N SER A 24 -1.554 -1.516 -5.039 1.00 0.00 N ATOM 398 CA SER A 24 -0.589 -0.710 -4.294 1.00 0.00 C ATOM 399 C SER A 24 -0.309 0.604 -5.023 1.00 0.00 C ATOM 400 O SER A 24 -0.076 0.602 -6.232 1.00 0.00 O ATOM 401 CB SER A 24 0.690 -1.535 -4.115 1.00 0.00 C ATOM 402 OG SER A 24 0.452 -2.702 -3.343 1.00 0.00 O ATOM 0 H SER A 24 -1.346 -1.576 -6.036 1.00 0.00 H new ATOM 0 HA SER A 24 -0.991 -0.451 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.082 -1.817 -5.092 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.452 -0.926 -3.630 1.00 0.00 H new ATOM 0 HG SER A 24 -0.203 -3.269 -3.801 1.00 0.00 H new ATOM 408 N GLN A 25 -0.346 1.725 -4.293 1.00 0.00 N ATOM 409 CA GLN A 25 -0.265 3.082 -4.845 1.00 0.00 C ATOM 410 C GLN A 25 0.353 4.053 -3.829 1.00 0.00 C ATOM 411 O GLN A 25 0.245 3.839 -2.625 1.00 0.00 O ATOM 412 CB GLN A 25 -1.661 3.555 -5.298 1.00 0.00 C ATOM 413 CG GLN A 25 -2.783 3.342 -4.263 1.00 0.00 C ATOM 414 CD GLN A 25 -4.131 3.839 -4.778 1.00 0.00 C ATOM 415 OE1 GLN A 25 -4.835 3.150 -5.497 1.00 0.00 O ATOM 416 NE2 GLN A 25 -4.538 5.046 -4.437 1.00 0.00 N ATOM 0 H GLN A 25 -0.435 1.713 -3.277 1.00 0.00 H new ATOM 0 HA GLN A 25 0.389 3.065 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.608 4.616 -5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.927 3.029 -6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.856 2.282 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.531 3.865 -3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.956 5.630 -3.836 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.435 5.396 -4.774 1.00 0.00 H new ATOM 425 N PHE A 26 1.012 5.124 -4.294 1.00 0.00 N ATOM 426 CA PHE A 26 1.754 6.024 -3.400 1.00 0.00 C ATOM 427 C PHE A 26 0.857 6.796 -2.427 1.00 0.00 C ATOM 428 O PHE A 26 1.207 6.903 -1.255 1.00 0.00 O ATOM 429 CB PHE A 26 2.660 6.960 -4.209 1.00 0.00 C ATOM 430 CG PHE A 26 3.899 6.263 -4.744 1.00 0.00 C ATOM 431 CD1 PHE A 26 4.844 5.746 -3.839 1.00 0.00 C ATOM 432 CD2 PHE A 26 4.099 6.109 -6.129 1.00 0.00 C ATOM 433 CE1 PHE A 26 5.976 5.060 -4.311 1.00 0.00 C ATOM 434 CE2 PHE A 26 5.239 5.432 -6.603 1.00 0.00 C ATOM 435 CZ PHE A 26 6.174 4.905 -5.694 1.00 0.00 C ATOM 0 H PHE A 26 1.046 5.387 -5.279 1.00 0.00 H new ATOM 0 HA PHE A 26 2.382 5.393 -2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.094 7.375 -5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.963 7.798 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.699 5.877 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.379 6.510 -6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.692 4.653 -3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.396 5.317 -7.665 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.045 4.381 -6.059 1.00 0.00 H new ATOM 445 N GLU A 27 -0.304 7.273 -2.882 1.00 0.00 N ATOM 446 CA GLU A 27 -1.272 7.982 -2.053 1.00 0.00 C ATOM 447 C GLU A 27 -2.501 7.100 -1.808 1.00 0.00 C ATOM 448 O GLU A 27 -2.909 6.343 -2.692 1.00 0.00 O ATOM 449 CB GLU A 27 -1.668 9.297 -2.739 1.00 0.00 C ATOM 450 CG GLU A 27 -0.522 10.192 -3.252 1.00 0.00 C ATOM 451 CD GLU A 27 0.505 10.657 -2.208 1.00 0.00 C ATOM 452 OE1 GLU A 27 0.815 9.928 -1.241 1.00 0.00 O ATOM 453 OE2 GLU A 27 1.137 11.708 -2.439 1.00 0.00 O ATOM 0 H GLU A 27 -0.599 7.174 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.824 8.214 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.314 9.057 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.264 9.879 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.009 9.651 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.961 11.075 -3.716 1.00 0.00 H new ATOM 460 N ARG A 28 -3.115 7.205 -0.624 1.00 0.00 N ATOM 461 CA ARG A 28 -4.287 6.402 -0.249 1.00 0.00 C ATOM 462 C ARG A 28 -5.557 6.787 -1.035 1.00 0.00 C ATOM 463 O ARG A 28 -5.650 7.922 -1.503 1.00 0.00 O ATOM 464 CB ARG A 28 -4.517 6.505 1.271 1.00 0.00 C ATOM 465 CG ARG A 28 -5.047 7.859 1.772 1.00 0.00 C ATOM 466 CD ARG A 28 -5.516 7.687 3.220 1.00 0.00 C ATOM 467 NE ARG A 28 -6.193 8.883 3.751 1.00 0.00 N ATOM 468 CZ ARG A 28 -7.497 9.135 3.677 1.00 0.00 C ATOM 469 NH1 ARG A 28 -8.325 8.538 2.859 1.00 0.00 N ATOM 470 NH2 ARG A 28 -8.054 10.017 4.468 1.00 0.00 N ATOM 0 H ARG A 28 -2.813 7.852 0.105 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.077 5.366 -0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.221 5.727 1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.576 6.293 1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.266 8.617 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.870 8.200 1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.195 6.836 3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.657 7.453 3.849 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.610 9.579 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.982 7.823 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.314 8.788 2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.487 10.520 5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.055 10.201 4.402 1.00 0.00 H new ATOM 484 N PRO A 29 -6.568 5.897 -1.146 1.00 0.00 N ATOM 485 CA PRO A 29 -7.884 6.271 -1.667 1.00 0.00 C ATOM 486 C PRO A 29 -8.467 7.427 -0.834 1.00 0.00 C ATOM 487 O PRO A 29 -8.368 7.426 0.398 1.00 0.00 O ATOM 488 CB PRO A 29 -8.761 5.024 -1.541 1.00 0.00 C ATOM 489 CG PRO A 29 -8.096 4.274 -0.394 1.00 0.00 C ATOM 490 CD PRO A 29 -6.622 4.515 -0.685 1.00 0.00 C ATOM 0 HA PRO A 29 -7.828 6.609 -2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.797 5.277 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.769 4.438 -2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.391 4.667 0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.346 3.213 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.011 4.369 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.249 3.827 -1.444 1.00 0.00 H new ATOM 498 N SER A 30 -9.085 8.407 -1.497 1.00 0.00 N ATOM 499 CA SER A 30 -9.554 9.663 -0.901 1.00 0.00 C ATOM 500 C SER A 30 -10.997 9.635 -0.370 1.00 0.00 C ATOM 501 O SER A 30 -11.463 10.655 0.145 1.00 0.00 O ATOM 502 CB SER A 30 -9.390 10.754 -1.962 1.00 0.00 C ATOM 503 OG SER A 30 -10.182 10.443 -3.092 1.00 0.00 O ATOM 0 H SER A 30 -9.280 8.348 -2.496 1.00 0.00 H new ATOM 0 HA SER A 30 -8.952 9.853 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.686 11.720 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.343 10.838 -2.252 1.00 0.00 H new ATOM 0 HG SER A 30 -10.076 11.144 -3.769 1.00 0.00 H new ATOM 509 N GLY A 31 -11.692 8.494 -0.501 1.00 0.00 N ATOM 510 CA GLY A 31 -13.128 8.304 -0.239 1.00 0.00 C ATOM 511 C GLY A 31 -13.542 8.512 1.212 1.00 0.00 C ATOM 512 O GLY A 31 -14.160 9.560 1.500 1.00 0.00 O ATOM 513 OXT GLY A 31 -13.254 7.640 2.059 1.00 0.00 O ATOM 0 H GLY A 31 -11.243 7.632 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.693 8.994 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.409 7.295 -0.542 1.00 0.00 H new TER 517 GLY A 31