USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 31 ASN : amide:sc= 0.00115 K(o=2.3,f=-0.32) USER MOD Set 1.2: A 95 TYR OH : rot -45:sc= 1.2 USER MOD Set 1.3: A 99 GLN : amide:sc= 1.07 K(o=2.3,f=0.61) USER MOD Set 2.1: A 45 ASN : amide:sc= 0.124 K(o=0.25,f=-2) USER MOD Set 2.2: A 77 LYS NZ :NH3+ -156:sc= 0.125 (180deg=0) USER MOD Set 3.1: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 76 THR OG1 : rot 58:sc= 0.0359 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 1.39 (180deg=-1.13) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.191 X(o=0.19,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.782 K(o=0.78,f=-2.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -28:sc= 1.25 USER MOD Single : A 47 SER OG : rot -143:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.639 K(o=0.64,f=-6!) USER MOD Single : A 67 THR OG1 : rot 75:sc= 1.11 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.064) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.394) USER MOD Single : A 78 MET CE :methyl -171:sc= -0.0642 (180deg=-0.0778) USER MOD Single : A 85 LYS NZ :NH3+ -141:sc= 0.747 (180deg=0.0445) USER MOD Single : A 91 ASN : amide:sc= 0.922 K(o=0.92,f=-3.8!) USER MOD Single : A 100 GLN : amide:sc= 0.155 K(o=0.15,f=-0.41) USER MOD Single : A 101 HEC O2A : rot -129:sc= 0.757 USER MOD Single : A 101 HEC O2D : rot 120:sc= -0.223 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.020 -1.449 2.021 1.00 0.00 N ATOM 2 CA MET A 1 1.842 -0.961 0.630 1.00 0.00 C ATOM 3 C MET A 1 3.064 -1.306 -0.273 1.00 0.00 C ATOM 4 O MET A 1 2.992 -2.289 -1.015 1.00 0.00 O ATOM 5 CB MET A 1 1.268 0.489 0.580 1.00 0.00 C ATOM 6 CG MET A 1 2.028 1.646 1.270 1.00 0.00 C ATOM 7 SD MET A 1 2.109 1.376 3.055 1.00 0.00 S ATOM 8 CE MET A 1 2.690 2.983 3.614 1.00 0.00 C ATOM 0 H1 MET A 1 1.143 -1.907 2.343 1.00 0.00 H new ATOM 0 H2 MET A 1 2.800 -2.136 2.051 1.00 0.00 H new ATOM 0 H3 MET A 1 2.241 -0.647 2.645 1.00 0.00 H new ATOM 0 HA MET A 1 1.044 -1.525 0.146 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.155 0.757 -0.471 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.267 0.456 1.010 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.036 1.721 0.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.528 2.592 1.062 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.791 2.976 4.699 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.658 3.198 3.161 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.974 3.751 3.321 1.00 0.00 H new ATOM 19 N ALA A 2 4.171 -0.538 -0.213 1.00 0.00 N ATOM 20 CA ALA A 2 5.446 -0.824 -0.944 1.00 0.00 C ATOM 21 C ALA A 2 5.365 -1.240 -2.461 1.00 0.00 C ATOM 22 O ALA A 2 5.861 -2.296 -2.863 1.00 0.00 O ATOM 23 CB ALA A 2 6.266 -1.798 -0.064 1.00 0.00 C ATOM 0 H ALA A 2 4.216 0.312 0.349 1.00 0.00 H new ATOM 0 HA ALA A 2 5.954 0.132 -1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.207 -2.034 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.472 -1.332 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.698 -2.715 0.090 1.00 0.00 H new ATOM 29 N ASP A 3 4.753 -0.391 -3.306 1.00 0.00 N ATOM 30 CA ASP A 3 4.516 -0.698 -4.742 1.00 0.00 C ATOM 31 C ASP A 3 5.635 -0.062 -5.652 1.00 0.00 C ATOM 32 O ASP A 3 5.632 1.166 -5.807 1.00 0.00 O ATOM 33 CB ASP A 3 3.082 -0.212 -5.088 1.00 0.00 C ATOM 34 CG ASP A 3 2.602 -0.597 -6.489 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.970 -0.033 -7.515 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.729 -1.641 -6.471 1.00 0.00 O ATOM 0 H ASP A 3 4.407 0.525 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 3 4.579 -1.769 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.387 -0.620 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.047 0.873 -4.991 1.00 0.00 H new ATOM 41 N PRO A 4 6.562 -0.821 -6.310 1.00 0.00 N ATOM 42 CA PRO A 4 7.616 -0.222 -7.180 1.00 0.00 C ATOM 43 C PRO A 4 7.181 0.433 -8.535 1.00 0.00 C ATOM 44 O PRO A 4 7.866 1.346 -9.001 1.00 0.00 O ATOM 45 CB PRO A 4 8.620 -1.381 -7.331 1.00 0.00 C ATOM 46 CG PRO A 4 7.841 -2.671 -7.078 1.00 0.00 C ATOM 47 CD PRO A 4 6.691 -2.283 -6.151 1.00 0.00 C ATOM 0 HA PRO A 4 8.022 0.677 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.061 -1.384 -8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.440 -1.278 -6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.467 -3.092 -8.011 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.476 -3.428 -6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.769 -2.795 -6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.907 -2.552 -5.117 1.00 0.00 H new ATOM 55 N ALA A 5 6.051 0.025 -9.146 1.00 0.00 N ATOM 56 CA ALA A 5 5.439 0.750 -10.297 1.00 0.00 C ATOM 57 C ALA A 5 4.911 2.191 -9.977 1.00 0.00 C ATOM 58 O ALA A 5 5.288 3.144 -10.665 1.00 0.00 O ATOM 59 CB ALA A 5 4.357 -0.173 -10.889 1.00 0.00 C ATOM 0 H ALA A 5 5.534 -0.808 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 5 6.219 0.956 -11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.882 0.320 -11.737 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.815 -1.104 -11.221 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.607 -0.389 -10.128 1.00 0.00 H new ATOM 65 N ALA A 6 4.118 2.372 -8.899 1.00 0.00 N ATOM 66 CA ALA A 6 3.886 3.711 -8.287 1.00 0.00 C ATOM 67 C ALA A 6 5.161 4.483 -7.797 1.00 0.00 C ATOM 68 O ALA A 6 5.255 5.690 -8.023 1.00 0.00 O ATOM 69 CB ALA A 6 2.863 3.518 -7.154 1.00 0.00 C ATOM 0 H ALA A 6 3.625 1.612 -8.430 1.00 0.00 H new ATOM 0 HA ALA A 6 3.512 4.367 -9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.663 4.477 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.936 3.117 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.264 2.822 -6.417 1.00 0.00 H new ATOM 75 N GLY A 7 6.158 3.804 -7.195 1.00 0.00 N ATOM 76 CA GLY A 7 7.512 4.384 -6.969 1.00 0.00 C ATOM 77 C GLY A 7 8.303 4.930 -8.184 1.00 0.00 C ATOM 78 O GLY A 7 8.891 6.006 -8.080 1.00 0.00 O ATOM 0 H GLY A 7 6.057 2.849 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.407 5.198 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.124 3.617 -6.494 1.00 0.00 H new ATOM 82 N GLU A 8 8.287 4.235 -9.334 1.00 0.00 N ATOM 83 CA GLU A 8 8.725 4.805 -10.647 1.00 0.00 C ATOM 84 C GLU A 8 7.982 6.119 -11.085 1.00 0.00 C ATOM 85 O GLU A 8 8.635 7.078 -11.504 1.00 0.00 O ATOM 86 CB GLU A 8 8.635 3.661 -11.700 1.00 0.00 C ATOM 87 CG GLU A 8 9.415 3.873 -13.025 1.00 0.00 C ATOM 88 CD GLU A 8 8.770 4.822 -14.036 1.00 0.00 C ATOM 89 OE1 GLU A 8 7.686 4.618 -14.573 1.00 0.00 O ATOM 90 OE2 GLU A 8 9.534 5.924 -14.274 1.00 0.00 O ATOM 0 H GLU A 8 7.974 3.266 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 8 9.753 5.154 -10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.994 2.742 -11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.584 3.505 -11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.408 4.252 -12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.552 2.903 -13.503 1.00 0.00 H new ATOM 97 N LYS A 9 6.643 6.189 -10.941 1.00 0.00 N ATOM 98 CA LYS A 9 5.866 7.460 -11.079 1.00 0.00 C ATOM 99 C LYS A 9 6.274 8.595 -10.070 1.00 0.00 C ATOM 100 O LYS A 9 6.517 9.725 -10.503 1.00 0.00 O ATOM 101 CB LYS A 9 4.343 7.148 -11.014 1.00 0.00 C ATOM 102 CG LYS A 9 3.789 6.215 -12.119 1.00 0.00 C ATOM 103 CD LYS A 9 2.290 5.910 -11.942 1.00 0.00 C ATOM 104 CE LYS A 9 1.768 4.945 -13.019 1.00 0.00 C ATOM 105 NZ LYS A 9 0.334 4.671 -12.799 1.00 0.00 N ATOM 0 H LYS A 9 6.063 5.377 -10.727 1.00 0.00 H new ATOM 0 HA LYS A 9 6.118 7.873 -12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.126 6.698 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.798 8.091 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.949 6.677 -13.093 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.349 5.280 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.122 5.478 -10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.723 6.840 -11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.917 5.377 -14.009 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.333 4.014 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.011 4.018 -13.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.203 4.241 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.201 5.561 -12.849 1.00 0.00 H new ATOM 118 N VAL A 10 6.422 8.300 -8.758 1.00 0.00 N ATOM 119 CA VAL A 10 7.050 9.238 -7.764 1.00 0.00 C ATOM 120 C VAL A 10 8.532 9.661 -8.109 1.00 0.00 C ATOM 121 O VAL A 10 8.875 10.831 -7.905 1.00 0.00 O ATOM 122 CB VAL A 10 6.897 8.701 -6.293 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.438 9.682 -5.224 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.443 8.383 -5.861 1.00 0.00 C ATOM 0 H VAL A 10 6.117 7.417 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 10 6.485 10.167 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 10 7.483 7.783 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.302 9.251 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.499 9.862 -5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.895 10.625 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.440 8.020 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.838 9.287 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.027 7.618 -6.517 1.00 0.00 H new ATOM 134 N PHE A 11 9.388 8.777 -8.673 1.00 0.00 N ATOM 135 CA PHE A 11 10.715 9.168 -9.245 1.00 0.00 C ATOM 136 C PHE A 11 10.715 10.313 -10.332 1.00 0.00 C ATOM 137 O PHE A 11 11.742 10.975 -10.491 1.00 0.00 O ATOM 138 CB PHE A 11 11.464 7.878 -9.713 1.00 0.00 C ATOM 139 CG PHE A 11 12.991 8.035 -9.895 1.00 0.00 C ATOM 140 CD1 PHE A 11 13.856 7.835 -8.815 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.522 8.452 -11.120 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.213 8.119 -8.937 1.00 0.00 C ATOM 143 CE2 PHE A 11 14.880 8.747 -11.237 1.00 0.00 C ATOM 144 CZ PHE A 11 15.721 8.609 -10.137 1.00 0.00 C ATOM 0 H PHE A 11 9.189 7.779 -8.748 1.00 0.00 H new ATOM 0 HA PHE A 11 11.260 9.651 -8.434 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.280 7.086 -8.987 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.033 7.549 -10.659 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.469 7.458 -7.880 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.876 8.546 -11.981 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.874 7.959 -8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.279 9.083 -12.183 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.763 8.881 -10.214 1.00 0.00 H new ATOM 154 N GLY A 12 9.583 10.631 -10.999 1.00 0.00 N ATOM 155 CA GLY A 12 9.369 11.952 -11.669 1.00 0.00 C ATOM 156 C GLY A 12 9.769 13.268 -10.942 1.00 0.00 C ATOM 157 O GLY A 12 10.307 14.172 -11.584 1.00 0.00 O ATOM 0 H GLY A 12 8.793 9.992 -11.093 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.910 11.927 -12.615 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.309 12.025 -11.910 1.00 0.00 H new ATOM 161 N LYS A 13 9.555 13.367 -9.617 1.00 0.00 N ATOM 162 CA LYS A 13 10.189 14.426 -8.770 1.00 0.00 C ATOM 163 C LYS A 13 11.753 14.352 -8.617 1.00 0.00 C ATOM 164 O LYS A 13 12.408 15.396 -8.564 1.00 0.00 O ATOM 165 CB LYS A 13 9.515 14.404 -7.369 1.00 0.00 C ATOM 166 CG LYS A 13 8.070 14.953 -7.310 1.00 0.00 C ATOM 167 CD LYS A 13 7.503 14.909 -5.880 1.00 0.00 C ATOM 168 CE LYS A 13 6.100 15.525 -5.773 1.00 0.00 C ATOM 169 NZ LYS A 13 5.652 15.519 -4.366 1.00 0.00 N ATOM 0 H LYS A 13 8.949 12.731 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 13 10.022 15.365 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.509 13.376 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.132 14.982 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.055 15.980 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.431 14.369 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.466 13.874 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.179 15.440 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.112 16.546 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.399 14.962 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.702 15.937 -4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.624 14.540 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.314 16.075 -3.788 1.00 0.00 H new ATOM 182 N CYS A 14 12.342 13.148 -8.509 1.00 0.00 N ATOM 183 CA CYS A 14 13.811 12.955 -8.361 1.00 0.00 C ATOM 184 C CYS A 14 14.666 13.008 -9.684 1.00 0.00 C ATOM 185 O CYS A 14 15.816 13.458 -9.642 1.00 0.00 O ATOM 186 CB CYS A 14 14.007 11.613 -7.611 1.00 0.00 C ATOM 187 SG CYS A 14 12.795 11.285 -6.288 1.00 0.00 S ATOM 0 H CYS A 14 11.818 12.273 -8.521 1.00 0.00 H new ATOM 0 HA CYS A 14 14.198 13.810 -7.807 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.961 10.799 -8.335 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.007 11.599 -7.178 1.00 0.00 H new ATOM 192 N LYS A 15 14.125 12.547 -10.835 1.00 0.00 N ATOM 193 CA LYS A 15 14.876 12.366 -12.117 1.00 0.00 C ATOM 194 C LYS A 15 15.645 13.572 -12.748 1.00 0.00 C ATOM 195 O LYS A 15 16.708 13.364 -13.339 1.00 0.00 O ATOM 196 CB LYS A 15 13.941 11.677 -13.154 1.00 0.00 C ATOM 197 CG LYS A 15 12.820 12.530 -13.799 1.00 0.00 C ATOM 198 CD LYS A 15 11.930 11.704 -14.746 1.00 0.00 C ATOM 199 CE LYS A 15 10.853 12.564 -15.425 1.00 0.00 C ATOM 200 NZ LYS A 15 9.978 11.709 -16.252 1.00 0.00 N ATOM 0 H LYS A 15 13.142 12.284 -10.909 1.00 0.00 H new ATOM 0 HA LYS A 15 15.721 11.743 -11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.565 11.283 -13.956 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.472 10.823 -12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.203 12.969 -13.015 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.267 13.356 -14.352 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.551 11.234 -15.508 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.452 10.901 -14.185 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.262 13.084 -14.672 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.322 13.328 -16.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.251 12.296 -16.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.547 11.232 -16.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.519 10.996 -15.649 1.00 0.00 H new ATOM 213 N ALA A 16 15.128 14.810 -12.632 1.00 0.00 N ATOM 214 CA ALA A 16 15.855 16.034 -13.074 1.00 0.00 C ATOM 215 C ALA A 16 17.257 16.304 -12.425 1.00 0.00 C ATOM 216 O ALA A 16 18.157 16.801 -13.107 1.00 0.00 O ATOM 217 CB ALA A 16 14.885 17.213 -12.862 1.00 0.00 C ATOM 0 H ALA A 16 14.207 14.998 -12.236 1.00 0.00 H new ATOM 0 HA ALA A 16 16.130 15.891 -14.119 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.367 18.141 -13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.986 17.056 -13.457 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.616 17.277 -11.808 1.00 0.00 H new ATOM 223 N CYS A 17 17.439 15.966 -11.136 1.00 0.00 N ATOM 224 CA CYS A 17 18.765 15.988 -10.468 1.00 0.00 C ATOM 225 C CYS A 17 19.517 14.610 -10.411 1.00 0.00 C ATOM 226 O CYS A 17 20.737 14.580 -10.606 1.00 0.00 O ATOM 227 CB CYS A 17 18.538 16.561 -9.055 1.00 0.00 C ATOM 228 SG CYS A 17 17.524 18.073 -9.055 1.00 0.00 S ATOM 0 H CYS A 17 16.678 15.670 -10.525 1.00 0.00 H new ATOM 0 HA CYS A 17 19.433 16.607 -11.067 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.054 15.806 -8.436 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.503 16.777 -8.597 1.00 0.00 H new ATOM 233 N HIS A 18 18.815 13.502 -10.096 1.00 0.00 N ATOM 234 CA HIS A 18 19.423 12.165 -9.853 1.00 0.00 C ATOM 235 C HIS A 18 19.221 11.205 -11.065 1.00 0.00 C ATOM 236 O HIS A 18 18.092 10.960 -11.503 1.00 0.00 O ATOM 237 CB HIS A 18 18.757 11.553 -8.596 1.00 0.00 C ATOM 238 CG HIS A 18 19.176 12.171 -7.268 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.269 11.746 -6.552 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.413 13.055 -6.500 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.034 12.340 -5.349 1.00 0.00 C ATOM 242 NE2 HIS A 18 18.936 13.182 -5.208 1.00 0.00 N ATOM 0 H HIS A 18 17.799 13.504 -10.001 1.00 0.00 H new ATOM 0 HA HIS A 18 20.496 12.290 -9.710 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.676 11.647 -8.696 1.00 0.00 H new ATOM 0 HB3 HIS A 18 18.983 10.487 -8.569 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.044 11.149 -6.842 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.535 13.572 -6.857 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.694 12.159 -4.513 1.00 0.00 H new ATOM 250 N LYS A 19 20.316 10.602 -11.558 1.00 0.00 N ATOM 251 CA LYS A 19 20.265 9.648 -12.703 1.00 0.00 C ATOM 252 C LYS A 19 20.384 8.174 -12.207 1.00 0.00 C ATOM 253 O LYS A 19 21.241 7.834 -11.385 1.00 0.00 O ATOM 254 CB LYS A 19 21.394 9.987 -13.716 1.00 0.00 C ATOM 255 CG LYS A 19 21.212 11.320 -14.486 1.00 0.00 C ATOM 256 CD LYS A 19 22.384 11.686 -15.420 1.00 0.00 C ATOM 257 CE LYS A 19 23.642 12.157 -14.671 1.00 0.00 C ATOM 258 NZ LYS A 19 24.689 12.572 -15.624 1.00 0.00 N ATOM 0 H LYS A 19 21.254 10.752 -11.187 1.00 0.00 H new ATOM 0 HA LYS A 19 19.302 9.748 -13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.342 10.022 -13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.467 9.175 -14.440 1.00 0.00 H new ATOM 0 HG2 LYS A 19 20.298 11.261 -15.077 1.00 0.00 H new ATOM 0 HG3 LYS A 19 21.074 12.125 -13.765 1.00 0.00 H new ATOM 0 HD2 LYS A 19 22.637 10.818 -16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.062 12.472 -16.103 1.00 0.00 H new ATOM 0 HE2 LYS A 19 23.390 12.989 -14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.017 11.353 -14.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.530 12.887 -15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.941 11.768 -16.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.334 13.354 -16.211 1.00 0.00 H new ATOM 271 N LEU A 20 19.544 7.276 -12.749 1.00 0.00 N ATOM 272 CA LEU A 20 19.600 5.819 -12.416 1.00 0.00 C ATOM 273 C LEU A 20 20.713 4.985 -13.133 1.00 0.00 C ATOM 274 O LEU A 20 21.102 3.946 -12.599 1.00 0.00 O ATOM 275 CB LEU A 20 18.200 5.183 -12.647 1.00 0.00 C ATOM 276 CG LEU A 20 17.064 5.658 -11.705 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.705 5.173 -12.221 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.249 5.189 -10.250 1.00 0.00 C ATOM 0 H LEU A 20 18.815 7.520 -13.420 1.00 0.00 H new ATOM 0 HA LEU A 20 19.887 5.778 -11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.898 5.385 -13.675 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.295 4.102 -12.549 1.00 0.00 H new ATOM 0 HG LEU A 20 17.104 6.747 -11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.918 5.514 -11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.530 5.575 -13.219 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.699 4.084 -12.263 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.421 5.554 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.269 4.100 -10.219 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.188 5.581 -9.858 1.00 0.00 H new ATOM 290 N ASP A 21 21.249 5.385 -14.304 1.00 0.00 N ATOM 291 CA ASP A 21 22.337 4.608 -14.983 1.00 0.00 C ATOM 292 C ASP A 21 23.771 4.998 -14.475 1.00 0.00 C ATOM 293 O ASP A 21 24.610 5.475 -15.247 1.00 0.00 O ATOM 294 CB ASP A 21 22.153 4.740 -16.524 1.00 0.00 C ATOM 295 CG ASP A 21 20.965 4.015 -17.169 1.00 0.00 C ATOM 296 OD1 ASP A 21 19.807 4.190 -16.470 1.00 0.00 O ATOM 297 OD2 ASP A 21 21.055 3.368 -18.207 1.00 0.00 O ATOM 0 H ASP A 21 20.960 6.227 -14.803 1.00 0.00 H new ATOM 0 HA ASP A 21 22.251 3.554 -14.719 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.066 5.800 -16.761 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.064 4.380 -17.002 1.00 0.00 H new ATOM 302 N GLY A 22 24.054 4.793 -13.169 1.00 0.00 N ATOM 303 CA GLY A 22 25.417 4.976 -12.582 1.00 0.00 C ATOM 304 C GLY A 22 26.040 6.395 -12.434 1.00 0.00 C ATOM 305 O GLY A 22 26.851 6.618 -11.535 1.00 0.00 O ATOM 0 H GLY A 22 23.354 4.498 -12.489 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.400 4.529 -11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.107 4.385 -13.185 1.00 0.00 H new ATOM 309 N ASN A 23 25.698 7.330 -13.329 1.00 0.00 N ATOM 310 CA ASN A 23 26.340 8.667 -13.432 1.00 0.00 C ATOM 311 C ASN A 23 25.828 9.690 -12.364 1.00 0.00 C ATOM 312 O ASN A 23 24.668 9.672 -11.937 1.00 0.00 O ATOM 313 CB ASN A 23 26.105 9.188 -14.878 1.00 0.00 C ATOM 314 CG ASN A 23 26.974 8.558 -15.975 1.00 0.00 C ATOM 315 OD1 ASN A 23 28.034 9.065 -16.320 1.00 0.00 O ATOM 316 ND2 ASN A 23 26.574 7.459 -16.571 1.00 0.00 N ATOM 0 H ASN A 23 24.958 7.187 -14.016 1.00 0.00 H new ATOM 0 HA ASN A 23 27.405 8.562 -13.223 1.00 0.00 H new ATOM 0 HB2 ASN A 23 25.058 9.026 -15.135 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.272 10.265 -14.885 1.00 0.00 H new ATOM 0 HD21 ASN A 23 27.143 7.042 -17.308 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.694 7.022 -16.297 1.00 0.00 H new ATOM 323 N ASP A 24 26.724 10.598 -11.947 1.00 0.00 N ATOM 324 CA ASP A 24 26.478 11.525 -10.805 1.00 0.00 C ATOM 325 C ASP A 24 26.410 12.988 -11.341 1.00 0.00 C ATOM 326 O ASP A 24 27.439 13.557 -11.721 1.00 0.00 O ATOM 327 CB ASP A 24 27.598 11.335 -9.739 1.00 0.00 C ATOM 328 CG ASP A 24 27.818 9.912 -9.216 1.00 0.00 C ATOM 329 OD1 ASP A 24 26.686 9.375 -8.688 1.00 0.00 O ATOM 330 OD2 ASP A 24 28.883 9.311 -9.298 1.00 0.00 O ATOM 0 H ASP A 24 27.639 10.719 -12.382 1.00 0.00 H new ATOM 0 HA ASP A 24 25.526 11.305 -10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.537 11.689 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.371 11.978 -8.889 1.00 0.00 H new ATOM 335 N GLY A 25 25.204 13.583 -11.407 1.00 0.00 N ATOM 336 CA GLY A 25 25.013 14.926 -12.026 1.00 0.00 C ATOM 337 C GLY A 25 24.891 16.065 -11.001 1.00 0.00 C ATOM 338 O GLY A 25 25.865 16.416 -10.332 1.00 0.00 O ATOM 0 H GLY A 25 24.347 13.165 -11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 25 25.853 15.134 -12.689 1.00 0.00 H new ATOM 0 HA3 GLY A 25 24.116 14.907 -12.644 1.00 0.00 H new ATOM 342 N VAL A 26 23.679 16.621 -10.859 1.00 0.00 N ATOM 343 CA VAL A 26 23.335 17.510 -9.701 1.00 0.00 C ATOM 344 C VAL A 26 23.244 16.678 -8.371 1.00 0.00 C ATOM 345 O VAL A 26 23.929 17.014 -7.403 1.00 0.00 O ATOM 346 CB VAL A 26 22.066 18.378 -10.027 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.554 19.237 -8.846 1.00 0.00 C ATOM 348 CG2 VAL A 26 22.262 19.341 -11.223 1.00 0.00 C ATOM 0 H VAL A 26 22.914 16.482 -11.519 1.00 0.00 H new ATOM 0 HA VAL A 26 24.137 18.229 -9.533 1.00 0.00 H new ATOM 0 HB VAL A 26 21.328 17.613 -10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.677 19.802 -9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.287 18.587 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.337 19.927 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.345 19.907 -11.389 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.079 20.029 -11.006 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.500 18.766 -12.118 1.00 0.00 H new ATOM 358 N GLY A 27 22.441 15.597 -8.341 1.00 0.00 N ATOM 359 CA GLY A 27 22.487 14.598 -7.247 1.00 0.00 C ATOM 360 C GLY A 27 23.256 13.286 -7.595 1.00 0.00 C ATOM 361 O GLY A 27 23.269 12.888 -8.768 1.00 0.00 O ATOM 0 H GLY A 27 21.750 15.390 -9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 27 22.953 15.056 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.466 14.341 -6.965 1.00 0.00 H new ATOM 365 N PRO A 28 23.866 12.543 -6.624 1.00 0.00 N ATOM 366 CA PRO A 28 24.545 11.251 -6.907 1.00 0.00 C ATOM 367 C PRO A 28 23.552 10.069 -7.140 1.00 0.00 C ATOM 368 O PRO A 28 22.500 9.985 -6.497 1.00 0.00 O ATOM 369 CB PRO A 28 25.423 11.083 -5.653 1.00 0.00 C ATOM 370 CG PRO A 28 24.642 11.757 -4.525 1.00 0.00 C ATOM 371 CD PRO A 28 23.912 12.918 -5.198 1.00 0.00 C ATOM 0 HA PRO A 28 25.113 11.248 -7.837 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.601 10.030 -5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.399 11.549 -5.790 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.940 11.064 -4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 28 25.309 12.111 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.910 13.049 -4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.442 13.859 -5.051 1.00 0.00 H new ATOM 379 N HIS A 29 23.898 9.160 -8.063 1.00 0.00 N ATOM 380 CA HIS A 29 22.993 8.091 -8.576 1.00 0.00 C ATOM 381 C HIS A 29 22.138 7.309 -7.519 1.00 0.00 C ATOM 382 O HIS A 29 22.679 6.725 -6.574 1.00 0.00 O ATOM 383 CB HIS A 29 23.804 7.126 -9.494 1.00 0.00 C ATOM 384 CG HIS A 29 24.848 6.198 -8.851 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.054 6.624 -8.300 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.758 4.795 -8.819 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.593 5.403 -7.983 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.893 4.256 -8.241 1.00 0.00 N ATOM 0 H HIS A 29 24.825 9.136 -8.488 1.00 0.00 H new ATOM 0 HA HIS A 29 22.226 8.620 -9.142 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.090 6.500 -10.028 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.316 7.733 -10.241 1.00 0.00 H new ATOM 0 HD1 HIS A 29 26.426 7.565 -8.171 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.923 4.221 -9.192 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.571 5.347 -7.529 1.00 0.00 H new ATOM 396 N LEU A 30 20.805 7.313 -7.673 1.00 0.00 N ATOM 397 CA LEU A 30 19.888 6.562 -6.751 1.00 0.00 C ATOM 398 C LEU A 30 19.701 5.036 -7.037 1.00 0.00 C ATOM 399 O LEU A 30 19.155 4.325 -6.189 1.00 0.00 O ATOM 400 CB LEU A 30 18.530 7.305 -6.636 1.00 0.00 C ATOM 401 CG LEU A 30 18.568 8.690 -5.945 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.230 9.423 -6.112 1.00 0.00 C ATOM 403 CD2 LEU A 30 18.920 8.631 -4.450 1.00 0.00 C ATOM 0 H LEU A 30 20.324 7.819 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 30 20.399 6.558 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.123 7.433 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 30 17.835 6.668 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 30 19.368 9.236 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.282 10.393 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.024 9.567 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.432 8.830 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.927 9.640 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.178 8.029 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.905 8.182 -4.326 1.00 0.00 H new ATOM 415 N ASN A 31 20.224 4.511 -8.160 1.00 0.00 N ATOM 416 CA ASN A 31 20.485 3.063 -8.327 1.00 0.00 C ATOM 417 C ASN A 31 21.597 2.580 -7.332 1.00 0.00 C ATOM 418 O ASN A 31 22.747 3.021 -7.392 1.00 0.00 O ATOM 419 CB ASN A 31 20.829 2.855 -9.821 1.00 0.00 C ATOM 420 CG ASN A 31 21.025 1.398 -10.231 1.00 0.00 C ATOM 421 OD1 ASN A 31 20.064 0.670 -10.459 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.257 0.944 -10.287 1.00 0.00 N ATOM 0 H ASN A 31 20.477 5.071 -8.974 1.00 0.00 H new ATOM 0 HA ASN A 31 19.620 2.449 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.032 3.285 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 31 21.739 3.409 -10.051 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.430 -0.033 -10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.040 1.568 -10.093 1.00 0.00 H new ATOM 429 N GLY A 32 21.217 1.729 -6.377 1.00 0.00 N ATOM 430 CA GLY A 32 22.126 1.303 -5.279 1.00 0.00 C ATOM 431 C GLY A 32 22.271 2.279 -4.092 1.00 0.00 C ATOM 432 O GLY A 32 23.389 2.496 -3.626 1.00 0.00 O ATOM 0 H GLY A 32 20.287 1.313 -6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.772 0.347 -4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.116 1.130 -5.702 1.00 0.00 H new ATOM 436 N VAL A 33 21.157 2.848 -3.604 1.00 0.00 N ATOM 437 CA VAL A 33 21.134 3.723 -2.389 1.00 0.00 C ATOM 438 C VAL A 33 20.603 3.024 -1.090 1.00 0.00 C ATOM 439 O VAL A 33 21.074 3.365 -0.004 1.00 0.00 O ATOM 440 CB VAL A 33 20.434 5.087 -2.713 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.900 5.005 -2.863 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.771 6.196 -1.689 1.00 0.00 C ATOM 0 H VAL A 33 20.239 2.723 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 33 22.172 3.938 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 33 20.849 5.348 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.503 5.995 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.650 4.322 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.463 4.640 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.257 7.116 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.447 5.885 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.847 6.370 -1.682 1.00 0.00 H new ATOM 452 N VAL A 34 19.638 2.082 -1.166 1.00 0.00 N ATOM 453 CA VAL A 34 19.005 1.453 0.033 1.00 0.00 C ATOM 454 C VAL A 34 20.016 0.450 0.690 1.00 0.00 C ATOM 455 O VAL A 34 20.317 -0.611 0.133 1.00 0.00 O ATOM 456 CB VAL A 34 17.616 0.807 -0.313 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.886 0.326 0.967 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.634 1.744 -1.061 1.00 0.00 C ATOM 0 H VAL A 34 19.272 1.732 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 34 18.780 2.223 0.771 1.00 0.00 H new ATOM 0 HB VAL A 34 17.874 -0.021 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.928 -0.116 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.498 -0.418 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.719 1.174 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.703 1.213 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.429 2.621 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.079 2.058 -2.005 1.00 0.00 H new ATOM 468 N GLY A 35 20.587 0.839 1.841 1.00 0.00 N ATOM 469 CA GLY A 35 21.822 0.202 2.377 1.00 0.00 C ATOM 470 C GLY A 35 23.193 0.875 2.093 1.00 0.00 C ATOM 471 O GLY A 35 24.172 0.461 2.715 1.00 0.00 O ATOM 0 H GLY A 35 20.221 1.590 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.710 0.123 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.866 -0.815 1.986 1.00 0.00 H new ATOM 475 N ARG A 36 23.307 1.883 1.201 1.00 0.00 N ATOM 476 CA ARG A 36 24.592 2.597 0.945 1.00 0.00 C ATOM 477 C ARG A 36 24.994 3.561 2.106 1.00 0.00 C ATOM 478 O ARG A 36 24.147 4.235 2.698 1.00 0.00 O ATOM 479 CB ARG A 36 24.465 3.352 -0.412 1.00 0.00 C ATOM 480 CG ARG A 36 25.752 4.073 -0.908 1.00 0.00 C ATOM 481 CD ARG A 36 25.720 4.563 -2.367 1.00 0.00 C ATOM 482 NE ARG A 36 24.848 5.759 -2.570 1.00 0.00 N ATOM 483 CZ ARG A 36 24.226 6.064 -3.711 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.030 5.215 -4.685 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.778 7.274 -3.877 1.00 0.00 N ATOM 0 H ARG A 36 22.526 2.226 0.641 1.00 0.00 H new ATOM 0 HA ARG A 36 25.397 1.864 0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.153 2.639 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.669 4.091 -0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 36 25.940 4.929 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.596 3.393 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.735 4.804 -2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.369 3.754 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 36 24.718 6.389 -1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.361 4.254 -4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.546 5.513 -5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.905 7.970 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.300 7.527 -4.742 1.00 0.00 H new ATOM 499 N THR A 37 26.309 3.682 2.363 1.00 0.00 N ATOM 500 CA THR A 37 26.875 4.633 3.365 1.00 0.00 C ATOM 501 C THR A 37 26.430 6.123 3.147 1.00 0.00 C ATOM 502 O THR A 37 26.360 6.608 2.010 1.00 0.00 O ATOM 503 CB THR A 37 28.430 4.463 3.368 1.00 0.00 C ATOM 504 OG1 THR A 37 28.786 3.108 3.628 1.00 0.00 O ATOM 505 CG2 THR A 37 29.185 5.279 4.432 1.00 0.00 C ATOM 0 H THR A 37 27.019 3.126 1.886 1.00 0.00 H new ATOM 0 HA THR A 37 26.472 4.386 4.347 1.00 0.00 H new ATOM 0 HB THR A 37 28.718 4.817 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.762 3.020 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.255 5.088 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.993 6.341 4.280 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.843 4.987 5.425 1.00 0.00 H new ATOM 513 N VAL A 38 26.145 6.852 4.245 1.00 0.00 N ATOM 514 CA VAL A 38 25.875 8.324 4.182 1.00 0.00 C ATOM 515 C VAL A 38 27.205 9.088 3.832 1.00 0.00 C ATOM 516 O VAL A 38 28.200 8.988 4.555 1.00 0.00 O ATOM 517 CB VAL A 38 25.183 8.877 5.474 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.799 10.369 5.339 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.886 8.141 5.882 1.00 0.00 C ATOM 0 H VAL A 38 26.093 6.459 5.185 1.00 0.00 H new ATOM 0 HA VAL A 38 25.153 8.502 3.385 1.00 0.00 H new ATOM 0 HB VAL A 38 25.944 8.717 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.323 10.707 6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.696 10.961 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.107 10.493 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.480 8.594 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.155 8.219 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.108 7.091 6.070 1.00 0.00 H new ATOM 529 N ALA A 39 27.216 9.782 2.675 1.00 0.00 N ATOM 530 CA ALA A 39 28.466 10.157 1.943 1.00 0.00 C ATOM 531 C ALA A 39 29.293 8.936 1.397 1.00 0.00 C ATOM 532 O ALA A 39 30.470 8.754 1.721 1.00 0.00 O ATOM 533 CB ALA A 39 29.290 11.216 2.711 1.00 0.00 C ATOM 0 H ALA A 39 26.365 10.103 2.214 1.00 0.00 H new ATOM 0 HA ALA A 39 28.145 10.649 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 39 30.189 11.459 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.691 12.117 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.572 10.820 3.686 1.00 0.00 H new ATOM 539 N GLY A 40 28.655 8.099 0.556 1.00 0.00 N ATOM 540 CA GLY A 40 29.221 6.784 0.135 1.00 0.00 C ATOM 541 C GLY A 40 29.772 6.630 -1.299 1.00 0.00 C ATOM 542 O GLY A 40 30.639 5.781 -1.517 1.00 0.00 O ATOM 0 H GLY A 40 27.743 8.304 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.027 6.537 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.443 6.032 0.271 1.00 0.00 H new ATOM 546 N VAL A 41 29.282 7.402 -2.286 1.00 0.00 N ATOM 547 CA VAL A 41 29.793 7.344 -3.691 1.00 0.00 C ATOM 548 C VAL A 41 31.233 7.953 -3.761 1.00 0.00 C ATOM 549 O VAL A 41 31.439 9.151 -3.538 1.00 0.00 O ATOM 550 CB VAL A 41 28.793 8.027 -4.690 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.289 8.036 -6.156 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.392 7.375 -4.712 1.00 0.00 C ATOM 0 H VAL A 41 28.531 8.078 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 41 29.864 6.302 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 41 28.732 9.044 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.547 8.523 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.232 8.580 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.438 7.011 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.757 7.901 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.482 6.330 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 41 26.948 7.434 -3.718 1.00 0.00 H new ATOM 562 N ASP A 42 32.227 7.115 -4.111 1.00 0.00 N ATOM 563 CA ASP A 42 33.636 7.572 -4.298 1.00 0.00 C ATOM 564 C ASP A 42 33.849 8.252 -5.697 1.00 0.00 C ATOM 565 O ASP A 42 34.445 7.701 -6.625 1.00 0.00 O ATOM 566 CB ASP A 42 34.557 6.351 -4.024 1.00 0.00 C ATOM 567 CG ASP A 42 34.804 5.979 -2.555 1.00 0.00 C ATOM 568 OD1 ASP A 42 33.652 5.883 -1.825 1.00 0.00 O ATOM 569 OD2 ASP A 42 35.926 5.780 -2.100 1.00 0.00 O ATOM 0 H ASP A 42 32.091 6.117 -4.272 1.00 0.00 H new ATOM 0 HA ASP A 42 33.894 8.361 -3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.127 5.484 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 42 35.523 6.544 -4.492 1.00 0.00 H new ATOM 574 N GLY A 43 33.323 9.479 -5.802 1.00 0.00 N ATOM 575 CA GLY A 43 33.314 10.279 -7.057 1.00 0.00 C ATOM 576 C GLY A 43 32.250 11.406 -7.115 1.00 0.00 C ATOM 577 O GLY A 43 31.653 11.631 -8.168 1.00 0.00 O ATOM 0 H GLY A 43 32.884 9.959 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.300 10.725 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.152 9.604 -7.898 1.00 0.00 H new ATOM 581 N PHE A 44 32.019 12.119 -5.997 1.00 0.00 N ATOM 582 CA PHE A 44 31.012 13.206 -5.898 1.00 0.00 C ATOM 583 C PHE A 44 31.422 14.220 -4.776 1.00 0.00 C ATOM 584 O PHE A 44 31.908 13.844 -3.702 1.00 0.00 O ATOM 585 CB PHE A 44 29.611 12.568 -5.652 1.00 0.00 C ATOM 586 CG PHE A 44 28.440 13.567 -5.689 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.963 14.073 -6.904 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.919 14.061 -4.490 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.985 15.066 -6.916 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.960 15.067 -4.505 1.00 0.00 C ATOM 591 CZ PHE A 44 26.495 15.572 -5.715 1.00 0.00 C ATOM 0 H PHE A 44 32.527 11.960 -5.127 1.00 0.00 H new ATOM 0 HA PHE A 44 30.965 13.774 -6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.439 11.798 -6.404 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.617 12.071 -4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.354 13.692 -7.836 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.263 13.660 -3.548 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.608 15.442 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.575 15.458 -3.575 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.753 16.357 -5.723 1.00 0.00 H new ATOM 601 N ASN A 45 31.143 15.516 -5.009 1.00 0.00 N ATOM 602 CA ASN A 45 31.283 16.578 -3.975 1.00 0.00 C ATOM 603 C ASN A 45 30.123 16.514 -2.921 1.00 0.00 C ATOM 604 O ASN A 45 29.078 17.145 -3.090 1.00 0.00 O ATOM 605 CB ASN A 45 31.383 17.919 -4.762 1.00 0.00 C ATOM 606 CG ASN A 45 31.508 19.197 -3.926 1.00 0.00 C ATOM 607 OD1 ASN A 45 30.528 19.878 -3.642 1.00 0.00 O ATOM 608 ND2 ASN A 45 32.693 19.583 -3.525 1.00 0.00 N ATOM 0 H ASN A 45 30.816 15.863 -5.911 1.00 0.00 H new ATOM 0 HA ASN A 45 32.176 16.454 -3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 45 32.245 17.861 -5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 45 30.499 18.010 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 45 32.793 20.441 -2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 45 33.516 19.026 -3.755 1.00 0.00 H new ATOM 615 N TYR A 46 30.316 15.758 -1.826 1.00 0.00 N ATOM 616 CA TYR A 46 29.345 15.726 -0.695 1.00 0.00 C ATOM 617 C TYR A 46 29.543 16.916 0.300 1.00 0.00 C ATOM 618 O TYR A 46 30.669 17.348 0.566 1.00 0.00 O ATOM 619 CB TYR A 46 29.415 14.361 0.045 1.00 0.00 C ATOM 620 CG TYR A 46 28.763 13.174 -0.684 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.367 13.064 -0.727 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.546 12.175 -1.265 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.771 11.958 -1.327 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.945 11.068 -1.862 1.00 0.00 C ATOM 625 CZ TYR A 46 27.556 10.952 -1.880 1.00 0.00 C ATOM 626 OH TYR A 46 26.987 9.821 -2.410 1.00 0.00 O ATOM 0 H TYR A 46 31.130 15.159 -1.691 1.00 0.00 H new ATOM 0 HA TYR A 46 28.349 15.842 -1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.462 14.121 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.939 14.472 1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.752 13.839 -0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.623 12.260 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.694 11.881 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.556 10.299 -2.311 1.00 0.00 H new ATOM 0 HH TYR A 46 26.135 9.641 -1.960 1.00 0.00 H new ATOM 636 N SER A 47 28.439 17.415 0.892 1.00 0.00 N ATOM 637 CA SER A 47 28.507 18.485 1.929 1.00 0.00 C ATOM 638 C SER A 47 29.159 18.021 3.279 1.00 0.00 C ATOM 639 O SER A 47 29.114 16.839 3.639 1.00 0.00 O ATOM 640 CB SER A 47 27.073 19.036 2.120 1.00 0.00 C ATOM 641 OG SER A 47 27.113 20.257 2.861 1.00 0.00 O ATOM 0 H SER A 47 27.492 17.102 0.677 1.00 0.00 H new ATOM 0 HA SER A 47 29.175 19.274 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 47 26.607 19.205 1.149 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.460 18.303 2.644 1.00 0.00 H new ATOM 0 HG SER A 47 26.336 20.304 3.456 1.00 0.00 H new ATOM 647 N ASP A 48 29.753 18.959 4.044 1.00 0.00 N ATOM 648 CA ASP A 48 30.382 18.645 5.365 1.00 0.00 C ATOM 649 C ASP A 48 29.405 18.056 6.451 1.00 0.00 C ATOM 650 O ASP A 48 29.778 17.018 7.006 1.00 0.00 O ATOM 651 CB ASP A 48 31.212 19.848 5.887 1.00 0.00 C ATOM 652 CG ASP A 48 32.472 20.152 5.074 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.543 19.577 5.236 1.00 0.00 O ATOM 654 OD2 ASP A 48 32.268 21.125 4.144 1.00 0.00 O ATOM 0 H ASP A 48 29.816 19.942 3.779 1.00 0.00 H new ATOM 0 HA ASP A 48 31.066 17.819 5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 48 30.578 20.734 5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.500 19.653 6.920 1.00 0.00 H new ATOM 659 N PRO A 49 28.168 18.565 6.752 1.00 0.00 N ATOM 660 CA PRO A 49 27.167 17.810 7.561 1.00 0.00 C ATOM 661 C PRO A 49 26.606 16.474 6.973 1.00 0.00 C ATOM 662 O PRO A 49 26.208 15.621 7.765 1.00 0.00 O ATOM 663 CB PRO A 49 26.084 18.860 7.858 1.00 0.00 C ATOM 664 CG PRO A 49 26.248 19.949 6.801 1.00 0.00 C ATOM 665 CD PRO A 49 27.695 19.893 6.321 1.00 0.00 C ATOM 0 HA PRO A 49 27.648 17.400 8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.089 18.418 7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.203 19.270 8.861 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.560 19.787 5.971 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.018 20.929 7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.760 20.007 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.292 20.691 6.762 1.00 0.00 H new ATOM 673 N MET A 50 26.604 16.243 5.641 1.00 0.00 N ATOM 674 CA MET A 50 26.452 14.867 5.071 1.00 0.00 C ATOM 675 C MET A 50 27.644 13.903 5.414 1.00 0.00 C ATOM 676 O MET A 50 27.410 12.796 5.905 1.00 0.00 O ATOM 677 CB MET A 50 26.175 14.988 3.546 1.00 0.00 C ATOM 678 CG MET A 50 25.736 13.679 2.854 1.00 0.00 C ATOM 679 SD MET A 50 24.177 13.082 3.536 1.00 0.00 S ATOM 680 CE MET A 50 23.003 13.978 2.509 1.00 0.00 C ATOM 0 H MET A 50 26.704 16.977 4.940 1.00 0.00 H new ATOM 0 HA MET A 50 25.598 14.387 5.549 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.401 15.740 3.392 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.077 15.355 3.057 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.628 13.848 1.783 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.508 12.920 2.981 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.987 13.718 2.806 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.154 15.050 2.634 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.155 13.710 1.464 1.00 0.00 H new ATOM 690 N LYS A 51 28.903 14.333 5.203 1.00 0.00 N ATOM 691 CA LYS A 51 30.121 13.589 5.648 1.00 0.00 C ATOM 692 C LYS A 51 30.236 13.342 7.192 1.00 0.00 C ATOM 693 O LYS A 51 30.485 12.207 7.605 1.00 0.00 O ATOM 694 CB LYS A 51 31.379 14.292 5.062 1.00 0.00 C ATOM 695 CG LYS A 51 31.501 14.280 3.514 1.00 0.00 C ATOM 696 CD LYS A 51 32.620 15.179 2.942 1.00 0.00 C ATOM 697 CE LYS A 51 34.070 14.711 3.169 1.00 0.00 C ATOM 698 NZ LYS A 51 34.399 13.521 2.356 1.00 0.00 N ATOM 0 H LYS A 51 29.116 15.206 4.720 1.00 0.00 H new ATOM 0 HA LYS A 51 30.035 12.577 5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.383 15.328 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.266 13.817 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.675 13.255 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.549 14.594 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.460 15.280 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.512 16.173 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 51 34.756 15.521 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 51 34.216 14.481 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 35.383 13.238 2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.761 12.740 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.284 13.747 1.347 1.00 0.00 H new ATOM 711 N ALA A 52 30.004 14.363 8.038 1.00 0.00 N ATOM 712 CA ALA A 52 29.873 14.186 9.510 1.00 0.00 C ATOM 713 C ALA A 52 28.640 13.396 10.074 1.00 0.00 C ATOM 714 O ALA A 52 28.661 13.040 11.255 1.00 0.00 O ATOM 715 CB ALA A 52 29.906 15.609 10.089 1.00 0.00 C ATOM 0 H ALA A 52 29.902 15.330 7.731 1.00 0.00 H new ATOM 0 HA ALA A 52 30.690 13.532 9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 52 29.814 15.563 11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.849 16.088 9.825 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.078 16.188 9.679 1.00 0.00 H new ATOM 721 N HIS A 53 27.592 13.108 9.276 1.00 0.00 N ATOM 722 CA HIS A 53 26.434 12.278 9.716 1.00 0.00 C ATOM 723 C HIS A 53 26.794 10.769 9.949 1.00 0.00 C ATOM 724 O HIS A 53 26.600 10.267 11.060 1.00 0.00 O ATOM 725 CB HIS A 53 25.281 12.517 8.700 1.00 0.00 C ATOM 726 CG HIS A 53 23.898 11.996 9.092 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.461 10.700 8.864 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.854 12.785 9.604 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.163 10.824 9.285 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.703 12.032 9.738 1.00 0.00 N ATOM 0 H HIS A 53 27.517 13.438 8.314 1.00 0.00 H new ATOM 0 HA HIS A 53 26.106 12.590 10.708 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.202 13.589 8.522 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.562 12.056 7.753 1.00 0.00 H new ATOM 0 HD2 HIS A 53 22.939 13.832 9.857 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.503 9.970 9.260 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.778 12.299 10.076 1.00 0.00 H new ATOM 738 N GLY A 54 27.315 10.061 8.927 1.00 0.00 N ATOM 739 CA GLY A 54 27.708 8.634 9.064 1.00 0.00 C ATOM 740 C GLY A 54 26.563 7.594 9.026 1.00 0.00 C ATOM 741 O GLY A 54 25.384 7.907 8.839 1.00 0.00 O ATOM 0 H GLY A 54 27.475 10.448 7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.411 8.396 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.244 8.517 10.006 1.00 0.00 H new ATOM 745 N GLY A 55 26.939 6.317 9.181 1.00 0.00 N ATOM 746 CA GLY A 55 25.975 5.191 9.049 1.00 0.00 C ATOM 747 C GLY A 55 25.570 4.847 7.596 1.00 0.00 C ATOM 748 O GLY A 55 26.361 5.004 6.662 1.00 0.00 O ATOM 0 H GLY A 55 27.893 6.029 9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.410 4.304 9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.075 5.434 9.614 1.00 0.00 H new ATOM 752 N ASP A 56 24.337 4.353 7.415 1.00 0.00 N ATOM 753 CA ASP A 56 23.830 3.909 6.083 1.00 0.00 C ATOM 754 C ASP A 56 22.398 4.454 5.792 1.00 0.00 C ATOM 755 O ASP A 56 21.592 4.695 6.699 1.00 0.00 O ATOM 756 CB ASP A 56 23.841 2.357 5.971 1.00 0.00 C ATOM 757 CG ASP A 56 25.203 1.675 6.110 1.00 0.00 C ATOM 758 OD1 ASP A 56 25.963 1.803 4.989 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.570 1.085 7.120 1.00 0.00 O ATOM 0 H ASP A 56 23.660 4.245 8.170 1.00 0.00 H new ATOM 0 HA ASP A 56 24.505 4.323 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.178 1.954 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.418 2.081 5.005 1.00 0.00 H new ATOM 764 N TRP A 57 22.053 4.562 4.496 1.00 0.00 N ATOM 765 CA TRP A 57 20.677 4.908 4.045 1.00 0.00 C ATOM 766 C TRP A 57 19.682 3.706 4.156 1.00 0.00 C ATOM 767 O TRP A 57 19.306 3.049 3.180 1.00 0.00 O ATOM 768 CB TRP A 57 20.759 5.508 2.615 1.00 0.00 C ATOM 769 CG TRP A 57 21.290 6.944 2.535 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.505 7.336 1.939 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.748 8.101 3.077 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.721 8.719 2.071 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.634 9.167 2.795 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.599 8.320 3.885 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.390 10.454 3.321 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.383 9.598 4.400 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.267 10.649 4.126 1.00 0.00 C ATOM 0 H TRP A 57 22.710 4.414 3.730 1.00 0.00 H new ATOM 0 HA TRP A 57 20.260 5.660 4.715 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.398 4.868 2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.764 5.481 2.170 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.185 6.659 1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.503 9.267 1.713 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.910 7.516 4.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 22.060 11.273 3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.519 9.780 5.021 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.077 11.626 4.544 1.00 0.00 H new ATOM 788 N THR A 58 19.237 3.469 5.395 1.00 0.00 N ATOM 789 CA THR A 58 18.180 2.479 5.741 1.00 0.00 C ATOM 790 C THR A 58 16.734 3.005 5.403 1.00 0.00 C ATOM 791 O THR A 58 16.553 4.224 5.285 1.00 0.00 O ATOM 792 CB THR A 58 18.319 2.130 7.262 1.00 0.00 C ATOM 793 OG1 THR A 58 18.134 3.279 8.085 1.00 0.00 O ATOM 794 CG2 THR A 58 19.649 1.476 7.681 1.00 0.00 C ATOM 0 H THR A 58 19.601 3.963 6.210 1.00 0.00 H new ATOM 0 HA THR A 58 18.318 1.583 5.136 1.00 0.00 H new ATOM 0 HB THR A 58 17.531 1.392 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.226 3.025 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.635 1.278 8.753 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.780 0.538 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.475 2.148 7.446 1.00 0.00 H new ATOM 802 N PRO A 59 15.658 2.169 5.276 1.00 0.00 N ATOM 803 CA PRO A 59 14.271 2.675 5.029 1.00 0.00 C ATOM 804 C PRO A 59 13.677 3.707 6.053 1.00 0.00 C ATOM 805 O PRO A 59 13.006 4.654 5.635 1.00 0.00 O ATOM 806 CB PRO A 59 13.460 1.373 4.863 1.00 0.00 C ATOM 807 CG PRO A 59 14.286 0.269 5.524 1.00 0.00 C ATOM 808 CD PRO A 59 15.742 0.697 5.344 1.00 0.00 C ATOM 0 HA PRO A 59 14.243 3.323 4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.481 1.462 5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.288 1.153 3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.033 0.166 6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.099 -0.697 5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.364 0.368 6.177 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.176 0.277 4.437 1.00 0.00 H new ATOM 816 N GLU A 60 13.987 3.578 7.359 1.00 0.00 N ATOM 817 CA GLU A 60 13.738 4.647 8.370 1.00 0.00 C ATOM 818 C GLU A 60 14.538 5.981 8.140 1.00 0.00 C ATOM 819 O GLU A 60 13.917 7.049 8.106 1.00 0.00 O ATOM 820 CB GLU A 60 13.954 4.026 9.777 1.00 0.00 C ATOM 821 CG GLU A 60 13.467 4.910 10.954 1.00 0.00 C ATOM 822 CD GLU A 60 13.722 4.289 12.325 1.00 0.00 C ATOM 823 OE1 GLU A 60 12.690 3.503 12.738 1.00 0.00 O ATOM 824 OE2 GLU A 60 14.741 4.478 12.981 1.00 0.00 O ATOM 0 H GLU A 60 14.415 2.738 7.749 1.00 0.00 H new ATOM 0 HA GLU A 60 12.707 4.986 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.436 3.068 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.016 3.820 9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.967 5.877 10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.399 5.097 10.841 1.00 0.00 H new ATOM 831 N ALA A 61 15.878 5.934 7.964 1.00 0.00 N ATOM 832 CA ALA A 61 16.690 7.128 7.589 1.00 0.00 C ATOM 833 C ALA A 61 16.322 7.815 6.230 1.00 0.00 C ATOM 834 O ALA A 61 16.190 9.043 6.185 1.00 0.00 O ATOM 835 CB ALA A 61 18.171 6.706 7.642 1.00 0.00 C ATOM 0 H ALA A 61 16.427 5.082 8.075 1.00 0.00 H new ATOM 0 HA ALA A 61 16.465 7.915 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.801 7.554 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.419 6.375 8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.342 5.890 6.940 1.00 0.00 H new ATOM 841 N LEU A 62 16.098 7.036 5.152 1.00 0.00 N ATOM 842 CA LEU A 62 15.488 7.537 3.889 1.00 0.00 C ATOM 843 C LEU A 62 14.076 8.180 4.056 1.00 0.00 C ATOM 844 O LEU A 62 13.913 9.318 3.619 1.00 0.00 O ATOM 845 CB LEU A 62 15.474 6.402 2.824 1.00 0.00 C ATOM 846 CG LEU A 62 16.841 6.020 2.200 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.742 4.669 1.478 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.344 7.089 1.211 1.00 0.00 C ATOM 0 H LEU A 62 16.332 6.044 5.126 1.00 0.00 H new ATOM 0 HA LEU A 62 16.121 8.357 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.047 5.510 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.803 6.699 2.018 1.00 0.00 H new ATOM 0 HG LEU A 62 17.556 5.951 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.710 4.416 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.449 3.897 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.996 4.734 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.304 6.780 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.622 7.205 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.462 8.039 1.731 1.00 0.00 H new ATOM 860 N GLN A 63 13.074 7.536 4.693 1.00 0.00 N ATOM 861 CA GLN A 63 11.742 8.178 4.922 1.00 0.00 C ATOM 862 C GLN A 63 11.724 9.468 5.822 1.00 0.00 C ATOM 863 O GLN A 63 10.946 10.388 5.554 1.00 0.00 O ATOM 864 CB GLN A 63 10.675 7.096 5.258 1.00 0.00 C ATOM 865 CG GLN A 63 10.473 6.667 6.734 1.00 0.00 C ATOM 866 CD GLN A 63 9.632 7.623 7.597 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.691 8.274 7.145 1.00 0.00 O ATOM 868 NE2 GLN A 63 9.954 7.739 8.861 1.00 0.00 N ATOM 0 H GLN A 63 13.150 6.586 5.057 1.00 0.00 H new ATOM 0 HA GLN A 63 11.454 8.632 3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.715 7.455 4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.924 6.201 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.000 5.685 6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.453 6.555 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.733 7.201 9.240 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.425 8.367 9.466 1.00 0.00 H new ATOM 877 N GLU A 64 12.595 9.576 6.843 1.00 0.00 N ATOM 878 CA GLU A 64 12.881 10.872 7.533 1.00 0.00 C ATOM 879 C GLU A 64 13.522 11.964 6.609 1.00 0.00 C ATOM 880 O GLU A 64 12.963 13.059 6.497 1.00 0.00 O ATOM 881 CB GLU A 64 13.731 10.628 8.815 1.00 0.00 C ATOM 882 CG GLU A 64 13.038 9.877 9.980 1.00 0.00 C ATOM 883 CD GLU A 64 11.845 10.596 10.614 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.234 11.540 11.520 1.00 0.00 O ATOM 885 OE2 GLU A 64 10.677 10.346 10.329 1.00 0.00 O ATOM 0 H GLU A 64 13.120 8.786 7.217 1.00 0.00 H new ATOM 0 HA GLU A 64 11.914 11.285 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.621 10.067 8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.069 11.595 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.702 8.907 9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.779 9.686 10.757 1.00 0.00 H new ATOM 892 N PHE A 65 14.657 11.683 5.935 1.00 0.00 N ATOM 893 CA PHE A 65 15.262 12.614 4.933 1.00 0.00 C ATOM 894 C PHE A 65 14.355 12.987 3.708 1.00 0.00 C ATOM 895 O PHE A 65 14.308 14.153 3.320 1.00 0.00 O ATOM 896 CB PHE A 65 16.629 12.001 4.523 1.00 0.00 C ATOM 897 CG PHE A 65 17.535 12.897 3.659 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.263 13.937 4.248 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.649 12.675 2.282 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.079 14.751 3.467 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.476 13.485 1.508 1.00 0.00 C ATOM 902 CZ PHE A 65 19.186 14.525 2.098 1.00 0.00 C ATOM 0 H PHE A 65 15.182 10.818 6.061 1.00 0.00 H new ATOM 0 HA PHE A 65 15.390 13.590 5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.172 11.734 5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.442 11.075 3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.192 14.109 5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.094 11.873 1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.630 15.559 3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.566 13.305 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.820 15.157 1.494 1.00 0.00 H new ATOM 912 N LEU A 66 13.612 12.036 3.121 1.00 0.00 N ATOM 913 CA LEU A 66 12.565 12.336 2.101 1.00 0.00 C ATOM 914 C LEU A 66 11.257 13.018 2.631 1.00 0.00 C ATOM 915 O LEU A 66 10.558 13.644 1.833 1.00 0.00 O ATOM 916 CB LEU A 66 12.261 11.051 1.279 1.00 0.00 C ATOM 917 CG LEU A 66 13.451 10.369 0.549 1.00 0.00 C ATOM 918 CD1 LEU A 66 12.986 9.089 -0.163 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.153 11.311 -0.439 1.00 0.00 C ATOM 0 H LEU A 66 13.710 11.042 3.330 1.00 0.00 H new ATOM 0 HA LEU A 66 12.992 13.106 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.815 10.319 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.506 11.300 0.533 1.00 0.00 H new ATOM 0 HG LEU A 66 14.183 10.106 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.833 8.626 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.576 8.394 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.219 9.339 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.976 10.784 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.441 11.641 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.541 12.177 0.097 1.00 0.00 H new ATOM 931 N THR A 67 10.942 12.972 3.944 1.00 0.00 N ATOM 932 CA THR A 67 10.004 13.937 4.586 1.00 0.00 C ATOM 933 C THR A 67 10.591 15.393 4.589 1.00 0.00 C ATOM 934 O THR A 67 10.017 16.266 3.939 1.00 0.00 O ATOM 935 CB THR A 67 9.610 13.448 6.018 1.00 0.00 C ATOM 936 OG1 THR A 67 9.135 12.109 6.014 1.00 0.00 O ATOM 937 CG2 THR A 67 8.489 14.277 6.655 1.00 0.00 C ATOM 0 H THR A 67 11.322 12.277 4.587 1.00 0.00 H new ATOM 0 HA THR A 67 9.090 13.977 3.993 1.00 0.00 H new ATOM 0 HB THR A 67 10.533 13.549 6.589 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.891 11.494 5.910 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.265 13.884 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.808 15.316 6.739 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.596 14.221 6.032 1.00 0.00 H new ATOM 945 N ASN A 68 11.712 15.644 5.299 1.00 0.00 N ATOM 946 CA ASN A 68 12.342 16.988 5.383 1.00 0.00 C ATOM 947 C ASN A 68 13.897 16.857 5.184 1.00 0.00 C ATOM 948 O ASN A 68 14.582 16.494 6.150 1.00 0.00 O ATOM 949 CB ASN A 68 12.030 17.628 6.764 1.00 0.00 C ATOM 950 CG ASN A 68 10.625 18.165 7.041 1.00 0.00 C ATOM 951 OD1 ASN A 68 9.773 18.344 6.179 1.00 0.00 O ATOM 952 ND2 ASN A 68 10.371 18.511 8.280 1.00 0.00 N ATOM 0 H ASN A 68 12.207 14.927 5.829 1.00 0.00 H new ATOM 0 HA ASN A 68 11.938 17.628 4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.252 16.883 7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.730 18.451 6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.470 18.925 8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.074 18.366 9.004 1.00 0.00 H new ATOM 959 N PRO A 69 14.522 17.160 4.009 1.00 0.00 N ATOM 960 CA PRO A 69 15.980 16.908 3.802 1.00 0.00 C ATOM 961 C PRO A 69 16.958 17.906 4.498 1.00 0.00 C ATOM 962 O PRO A 69 17.846 17.475 5.238 1.00 0.00 O ATOM 963 CB PRO A 69 16.089 16.816 2.270 1.00 0.00 C ATOM 964 CG PRO A 69 14.916 17.630 1.724 1.00 0.00 C ATOM 965 CD PRO A 69 13.801 17.505 2.765 1.00 0.00 C ATOM 0 HA PRO A 69 16.318 16.000 4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.040 17.217 1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.037 15.780 1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.198 18.672 1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.592 17.248 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.244 18.436 2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.082 16.733 2.491 1.00 0.00 H new ATOM 973 N LYS A 70 16.764 19.222 4.303 1.00 0.00 N ATOM 974 CA LYS A 70 17.516 20.284 5.039 1.00 0.00 C ATOM 975 C LYS A 70 17.219 20.436 6.575 1.00 0.00 C ATOM 976 O LYS A 70 18.076 20.963 7.288 1.00 0.00 O ATOM 977 CB LYS A 70 17.344 21.629 4.278 1.00 0.00 C ATOM 978 CG LYS A 70 18.078 21.709 2.916 1.00 0.00 C ATOM 979 CD LYS A 70 17.862 23.054 2.197 1.00 0.00 C ATOM 980 CE LYS A 70 18.657 23.134 0.885 1.00 0.00 C ATOM 981 NZ LYS A 70 18.384 24.410 0.195 1.00 0.00 N ATOM 0 H LYS A 70 16.087 19.591 3.636 1.00 0.00 H new ATOM 0 HA LYS A 70 18.556 19.958 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.281 21.801 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.702 22.438 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.145 21.555 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.731 20.900 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.801 23.188 1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.163 23.870 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.723 23.046 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.389 22.299 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.929 24.449 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.369 24.478 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.662 25.203 0.808 1.00 0.00 H new ATOM 994 N ALA A 71 16.070 19.964 7.107 1.00 0.00 N ATOM 995 CA ALA A 71 15.903 19.746 8.574 1.00 0.00 C ATOM 996 C ALA A 71 16.674 18.509 9.152 1.00 0.00 C ATOM 997 O ALA A 71 17.296 18.631 10.210 1.00 0.00 O ATOM 998 CB ALA A 71 14.398 19.681 8.905 1.00 0.00 C ATOM 0 H ALA A 71 15.247 19.726 6.554 1.00 0.00 H new ATOM 0 HA ALA A 71 16.366 20.598 9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.267 19.522 9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.921 20.618 8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.940 18.857 8.357 1.00 0.00 H new ATOM 1004 N VAL A 72 16.650 17.337 8.478 1.00 0.00 N ATOM 1005 CA VAL A 72 17.430 16.128 8.899 1.00 0.00 C ATOM 1006 C VAL A 72 18.979 16.319 8.736 1.00 0.00 C ATOM 1007 O VAL A 72 19.699 16.176 9.728 1.00 0.00 O ATOM 1008 CB VAL A 72 16.844 14.840 8.213 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.677 13.554 8.442 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.401 14.516 8.670 1.00 0.00 C ATOM 0 H VAL A 72 16.098 17.192 7.633 1.00 0.00 H new ATOM 0 HA VAL A 72 17.307 15.985 9.973 1.00 0.00 H new ATOM 0 HB VAL A 72 16.870 15.105 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.200 12.716 7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.682 13.695 8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.736 13.344 9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.052 13.617 8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.389 14.352 9.748 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.745 15.351 8.423 1.00 0.00 H new ATOM 1020 N VAL A 73 19.499 16.633 7.530 1.00 0.00 N ATOM 1021 CA VAL A 73 20.932 17.021 7.358 1.00 0.00 C ATOM 1022 C VAL A 73 20.977 18.580 7.244 1.00 0.00 C ATOM 1023 O VAL A 73 20.737 19.149 6.171 1.00 0.00 O ATOM 1024 CB VAL A 73 21.629 16.277 6.168 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.118 16.677 6.019 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.590 14.733 6.282 1.00 0.00 C ATOM 0 H VAL A 73 18.961 16.628 6.663 1.00 0.00 H new ATOM 0 HA VAL A 73 21.517 16.705 8.222 1.00 0.00 H new ATOM 0 HB VAL A 73 21.050 16.588 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.558 16.136 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.190 17.749 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.655 16.428 6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.092 14.292 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.096 14.423 7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.554 14.396 6.309 1.00 0.00 H new ATOM 1036 N LYS A 74 21.313 19.263 8.355 1.00 0.00 N ATOM 1037 CA LYS A 74 21.360 20.751 8.407 1.00 0.00 C ATOM 1038 C LYS A 74 22.611 21.323 7.661 1.00 0.00 C ATOM 1039 O LYS A 74 23.711 21.410 8.214 1.00 0.00 O ATOM 1040 CB LYS A 74 21.258 21.174 9.896 1.00 0.00 C ATOM 1041 CG LYS A 74 21.056 22.694 10.105 1.00 0.00 C ATOM 1042 CD LYS A 74 20.768 23.129 11.559 1.00 0.00 C ATOM 1043 CE LYS A 74 21.969 23.140 12.525 1.00 0.00 C ATOM 1044 NZ LYS A 74 22.252 21.805 13.087 1.00 0.00 N ATOM 0 H LYS A 74 21.558 18.812 9.237 1.00 0.00 H new ATOM 0 HA LYS A 74 20.517 21.184 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.428 20.640 10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.165 20.864 10.414 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.949 23.213 9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.230 23.024 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.339 24.131 11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.007 22.465 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.851 23.504 11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.771 23.839 13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.757 21.909 13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.358 21.299 13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.841 21.266 12.421 1.00 0.00 H new ATOM 1057 N GLY A 75 22.412 21.679 6.383 1.00 0.00 N ATOM 1058 CA GLY A 75 23.524 21.974 5.437 1.00 0.00 C ATOM 1059 C GLY A 75 23.771 20.981 4.272 1.00 0.00 C ATOM 1060 O GLY A 75 24.856 21.017 3.684 1.00 0.00 O ATOM 0 H GLY A 75 21.485 21.773 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.342 22.958 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.445 22.045 6.016 1.00 0.00 H new ATOM 1064 N THR A 76 22.792 20.147 3.874 1.00 0.00 N ATOM 1065 CA THR A 76 22.800 19.491 2.536 1.00 0.00 C ATOM 1066 C THR A 76 22.477 20.508 1.397 1.00 0.00 C ATOM 1067 O THR A 76 21.540 21.307 1.488 1.00 0.00 O ATOM 1068 CB THR A 76 21.872 18.236 2.490 1.00 0.00 C ATOM 1069 OG1 THR A 76 22.085 17.523 1.272 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.354 18.485 2.599 1.00 0.00 C ATOM 0 H THR A 76 21.986 19.907 4.451 1.00 0.00 H new ATOM 0 HA THR A 76 23.813 19.129 2.362 1.00 0.00 H new ATOM 0 HB THR A 76 22.158 17.683 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 76 23.029 17.269 1.203 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.825 17.533 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.133 18.978 3.546 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.029 19.120 1.775 1.00 0.00 H new ATOM 1078 N LYS A 77 23.220 20.411 0.289 1.00 0.00 N ATOM 1079 CA LYS A 77 22.839 21.084 -0.990 1.00 0.00 C ATOM 1080 C LYS A 77 21.639 20.473 -1.807 1.00 0.00 C ATOM 1081 O LYS A 77 21.343 20.967 -2.900 1.00 0.00 O ATOM 1082 CB LYS A 77 24.124 21.253 -1.845 1.00 0.00 C ATOM 1083 CG LYS A 77 24.790 19.960 -2.374 1.00 0.00 C ATOM 1084 CD LYS A 77 25.907 20.260 -3.386 1.00 0.00 C ATOM 1085 CE LYS A 77 26.526 18.979 -3.953 1.00 0.00 C ATOM 1086 NZ LYS A 77 27.604 19.312 -4.904 1.00 0.00 N ATOM 0 H LYS A 77 24.088 19.878 0.237 1.00 0.00 H new ATOM 0 HA LYS A 77 22.415 22.048 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.881 21.884 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.859 21.793 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.201 19.395 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.035 19.329 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 77 25.505 20.861 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.683 20.855 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 77 26.922 18.368 -3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 77 25.760 18.387 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 27.738 18.522 -5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 27.347 20.169 -5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.488 19.480 -4.382 1.00 0.00 H new ATOM 1099 N MET A 78 20.919 19.449 -1.299 1.00 0.00 N ATOM 1100 CA MET A 78 19.678 18.934 -1.929 1.00 0.00 C ATOM 1101 C MET A 78 18.488 19.944 -1.804 1.00 0.00 C ATOM 1102 O MET A 78 17.779 19.985 -0.793 1.00 0.00 O ATOM 1103 CB MET A 78 19.389 17.525 -1.339 1.00 0.00 C ATOM 1104 CG MET A 78 18.086 16.889 -1.867 1.00 0.00 C ATOM 1105 SD MET A 78 18.173 15.063 -2.017 1.00 0.00 S ATOM 1106 CE MET A 78 16.603 14.737 -1.131 1.00 0.00 C ATOM 0 H MET A 78 21.178 18.956 -0.444 1.00 0.00 H new ATOM 0 HA MET A 78 19.812 18.830 -3.006 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.225 16.865 -1.570 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.333 17.600 -0.253 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.266 17.152 -1.199 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.852 17.315 -2.843 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.504 13.667 -0.947 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.604 15.270 -0.180 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.765 15.079 -1.738 1.00 0.00 H new ATOM 1116 N ALA A 79 18.250 20.721 -2.877 1.00 0.00 N ATOM 1117 CA ALA A 79 17.113 21.677 -2.948 1.00 0.00 C ATOM 1118 C ALA A 79 15.737 21.002 -3.278 1.00 0.00 C ATOM 1119 O ALA A 79 15.147 21.187 -4.347 1.00 0.00 O ATOM 1120 CB ALA A 79 17.550 22.762 -3.953 1.00 0.00 C ATOM 0 H ALA A 79 18.831 20.710 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 79 16.909 22.120 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.757 23.503 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.457 23.248 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.745 22.303 -4.922 1.00 0.00 H new ATOM 1126 N PHE A 80 15.228 20.229 -2.308 1.00 0.00 N ATOM 1127 CA PHE A 80 13.924 19.526 -2.396 1.00 0.00 C ATOM 1128 C PHE A 80 13.076 19.864 -1.128 1.00 0.00 C ATOM 1129 O PHE A 80 13.572 19.829 0.003 1.00 0.00 O ATOM 1130 CB PHE A 80 14.215 18.004 -2.568 1.00 0.00 C ATOM 1131 CG PHE A 80 12.976 17.111 -2.757 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.200 17.216 -3.917 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.575 16.236 -1.742 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.021 16.485 -4.043 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.400 15.501 -1.872 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.617 15.636 -3.017 1.00 0.00 C ATOM 0 H PHE A 80 15.711 20.067 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 80 13.334 19.849 -3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.871 17.872 -3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.763 17.655 -1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.517 17.867 -4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.180 16.130 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.421 16.577 -4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.095 14.826 -1.086 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.695 15.081 -3.108 1.00 0.00 H new ATOM 1146 N ALA A 81 11.778 20.159 -1.313 1.00 0.00 N ATOM 1147 CA ALA A 81 10.850 20.424 -0.180 1.00 0.00 C ATOM 1148 C ALA A 81 10.492 19.173 0.690 1.00 0.00 C ATOM 1149 O ALA A 81 10.738 19.188 1.899 1.00 0.00 O ATOM 1150 CB ALA A 81 9.619 21.146 -0.766 1.00 0.00 C ATOM 0 H ALA A 81 11.340 20.222 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 81 11.353 21.059 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.909 21.361 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.933 22.079 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.144 20.509 -1.512 1.00 0.00 H new ATOM 1156 N GLY A 82 9.921 18.110 0.093 1.00 0.00 N ATOM 1157 CA GLY A 82 9.498 16.906 0.850 1.00 0.00 C ATOM 1158 C GLY A 82 8.389 16.066 0.179 1.00 0.00 C ATOM 1159 O GLY A 82 7.545 16.568 -0.569 1.00 0.00 O ATOM 0 H GLY A 82 9.740 18.056 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.369 16.270 1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.150 17.219 1.835 1.00 0.00 H new ATOM 1163 N LEU A 83 8.366 14.771 0.516 1.00 0.00 N ATOM 1164 CA LEU A 83 7.239 13.856 0.190 1.00 0.00 C ATOM 1165 C LEU A 83 6.313 13.718 1.454 1.00 0.00 C ATOM 1166 O LEU A 83 6.689 12.966 2.366 1.00 0.00 O ATOM 1167 CB LEU A 83 7.799 12.471 -0.249 1.00 0.00 C ATOM 1168 CG LEU A 83 8.560 12.365 -1.594 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.116 10.942 -1.771 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.683 12.706 -2.809 1.00 0.00 C ATOM 0 H LEU A 83 9.125 14.316 1.024 1.00 0.00 H new ATOM 0 HA LEU A 83 6.651 14.259 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.468 12.122 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.962 11.774 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 83 9.367 13.096 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.650 10.875 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.799 10.714 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.293 10.227 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.273 12.614 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.838 12.019 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.315 13.728 -2.717 1.00 0.00 H new ATOM 1182 N PRO A 84 5.123 14.383 1.583 1.00 0.00 N ATOM 1183 CA PRO A 84 4.305 14.333 2.832 1.00 0.00 C ATOM 1184 C PRO A 84 3.611 12.977 3.190 1.00 0.00 C ATOM 1185 O PRO A 84 3.579 12.613 4.371 1.00 0.00 O ATOM 1186 CB PRO A 84 3.330 15.513 2.639 1.00 0.00 C ATOM 1187 CG PRO A 84 3.210 15.700 1.125 1.00 0.00 C ATOM 1188 CD PRO A 84 4.595 15.339 0.587 1.00 0.00 C ATOM 0 HA PRO A 84 4.941 14.415 3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.360 15.297 3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.708 16.417 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.439 15.054 0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 84 2.940 16.725 0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.534 14.891 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.232 16.219 0.500 1.00 0.00 H new ATOM 1196 N LYS A 85 3.102 12.215 2.205 1.00 0.00 N ATOM 1197 CA LYS A 85 2.480 10.884 2.450 1.00 0.00 C ATOM 1198 C LYS A 85 3.544 9.758 2.666 1.00 0.00 C ATOM 1199 O LYS A 85 4.499 9.614 1.892 1.00 0.00 O ATOM 1200 CB LYS A 85 1.548 10.485 1.273 1.00 0.00 C ATOM 1201 CG LYS A 85 0.361 11.427 0.954 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.710 10.816 0.019 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.281 10.422 -1.410 1.00 0.00 C ATOM 1204 NZ LYS A 85 0.061 11.591 -2.250 1.00 0.00 N ATOM 0 H LYS A 85 3.106 12.493 1.224 1.00 0.00 H new ATOM 0 HA LYS A 85 1.898 10.981 3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.159 10.397 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.145 9.494 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.116 11.719 1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.749 12.337 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.110 9.926 0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.529 11.530 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.580 9.756 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.087 9.863 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.290 11.438 -3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.380 12.445 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.094 11.713 -2.272 1.00 0.00 H new ATOM 1217 N ILE A 86 3.326 8.904 3.683 1.00 0.00 N ATOM 1218 CA ILE A 86 4.103 7.640 3.874 1.00 0.00 C ATOM 1219 C ILE A 86 4.049 6.622 2.679 1.00 0.00 C ATOM 1220 O ILE A 86 5.092 6.060 2.338 1.00 0.00 O ATOM 1221 CB ILE A 86 3.773 7.029 5.284 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.707 5.858 5.699 1.00 0.00 C ATOM 1223 CG2 ILE A 86 2.303 6.558 5.450 1.00 0.00 C ATOM 1224 CD1 ILE A 86 6.180 6.227 5.946 1.00 0.00 C ATOM 0 H ILE A 86 2.614 9.058 4.397 1.00 0.00 H new ATOM 0 HA ILE A 86 5.160 7.906 3.862 1.00 0.00 H new ATOM 0 HB ILE A 86 3.945 7.876 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.309 5.406 6.607 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.669 5.096 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.162 6.150 6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.631 7.404 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.082 5.788 4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.736 5.334 6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.607 6.647 5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.241 6.962 6.748 1.00 0.00 H new ATOM 1236 N GLU A 87 2.890 6.422 2.014 1.00 0.00 N ATOM 1237 CA GLU A 87 2.805 5.639 0.745 1.00 0.00 C ATOM 1238 C GLU A 87 3.721 6.120 -0.430 1.00 0.00 C ATOM 1239 O GLU A 87 4.406 5.286 -1.017 1.00 0.00 O ATOM 1240 CB GLU A 87 1.320 5.429 0.339 1.00 0.00 C ATOM 1241 CG GLU A 87 0.539 6.666 -0.176 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.930 6.384 -0.475 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.324 5.812 -1.486 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.756 6.845 0.505 1.00 0.00 O ATOM 0 H GLU A 87 1.993 6.790 2.330 1.00 0.00 H new ATOM 0 HA GLU A 87 3.243 4.667 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.288 4.664 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.788 5.030 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.603 7.460 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.020 7.037 -1.081 1.00 0.00 H new ATOM 1251 N ASP A 88 3.811 7.434 -0.728 1.00 0.00 N ATOM 1252 CA ASP A 88 4.834 7.985 -1.676 1.00 0.00 C ATOM 1253 C ASP A 88 6.323 7.657 -1.306 1.00 0.00 C ATOM 1254 O ASP A 88 7.085 7.224 -2.173 1.00 0.00 O ATOM 1255 CB ASP A 88 4.646 9.520 -1.848 1.00 0.00 C ATOM 1256 CG ASP A 88 3.314 9.995 -2.433 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.688 9.394 -3.301 1.00 0.00 O ATOM 1258 OD2 ASP A 88 2.889 11.155 -1.858 1.00 0.00 O ATOM 0 H ASP A 88 3.193 8.142 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 88 4.652 7.473 -2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.774 9.988 -0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.448 9.890 -2.487 1.00 0.00 H new ATOM 1263 N ARG A 89 6.713 7.818 -0.025 1.00 0.00 N ATOM 1264 CA ARG A 89 8.045 7.390 0.492 1.00 0.00 C ATOM 1265 C ARG A 89 8.284 5.839 0.446 1.00 0.00 C ATOM 1266 O ARG A 89 9.264 5.406 -0.162 1.00 0.00 O ATOM 1267 CB ARG A 89 8.284 7.991 1.911 1.00 0.00 C ATOM 1268 CG ARG A 89 8.153 9.534 2.022 1.00 0.00 C ATOM 1269 CD ARG A 89 8.634 10.188 3.330 1.00 0.00 C ATOM 1270 NE ARG A 89 7.934 9.722 4.565 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.858 10.290 5.106 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.157 11.225 4.526 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.496 9.901 6.291 1.00 0.00 N ATOM 0 H ARG A 89 6.120 8.247 0.686 1.00 0.00 H new ATOM 0 HA ARG A 89 8.795 7.793 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.576 7.534 2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.282 7.705 2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.708 9.980 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.104 9.795 1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.701 9.998 3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.510 11.268 3.246 1.00 0.00 H new ATOM 0 HE ARG A 89 8.313 8.899 5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.424 11.563 3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.342 11.618 4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.031 9.182 6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.677 10.315 6.735 1.00 0.00 H new ATOM 1287 N ALA A 90 7.395 5.010 1.032 1.00 0.00 N ATOM 1288 CA ALA A 90 7.458 3.523 0.931 1.00 0.00 C ATOM 1289 C ALA A 90 7.404 2.896 -0.502 1.00 0.00 C ATOM 1290 O ALA A 90 8.204 2.006 -0.801 1.00 0.00 O ATOM 1291 CB ALA A 90 6.322 2.976 1.816 1.00 0.00 C ATOM 0 H ALA A 90 6.610 5.345 1.590 1.00 0.00 H new ATOM 0 HA ALA A 90 8.453 3.228 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.323 1.887 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.473 3.303 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.365 3.351 1.453 1.00 0.00 H new ATOM 1297 N ASN A 91 6.505 3.363 -1.390 1.00 0.00 N ATOM 1298 CA ASN A 91 6.500 2.981 -2.834 1.00 0.00 C ATOM 1299 C ASN A 91 7.811 3.358 -3.606 1.00 0.00 C ATOM 1300 O ASN A 91 8.383 2.503 -4.289 1.00 0.00 O ATOM 1301 CB ASN A 91 5.240 3.580 -3.525 1.00 0.00 C ATOM 1302 CG ASN A 91 3.861 3.074 -3.070 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.696 2.075 -2.378 1.00 0.00 O ATOM 1304 ND2 ASN A 91 2.810 3.754 -3.456 1.00 0.00 N ATOM 0 H ASN A 91 5.761 4.013 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 91 6.462 1.892 -2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.263 4.661 -3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.327 3.397 -4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.876 3.450 -3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.925 4.588 -4.032 1.00 0.00 H new ATOM 1311 N LEU A 92 8.315 4.604 -3.470 1.00 0.00 N ATOM 1312 CA LEU A 92 9.670 4.993 -3.957 1.00 0.00 C ATOM 1313 C LEU A 92 10.870 4.184 -3.362 1.00 0.00 C ATOM 1314 O LEU A 92 11.716 3.728 -4.133 1.00 0.00 O ATOM 1315 CB LEU A 92 9.806 6.527 -3.768 1.00 0.00 C ATOM 1316 CG LEU A 92 11.087 7.187 -4.337 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.196 7.060 -5.863 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.110 8.671 -3.959 1.00 0.00 C ATOM 0 H LEU A 92 7.805 5.367 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 92 9.739 4.725 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.943 7.005 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.756 6.744 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 92 11.936 6.660 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.113 7.541 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.214 6.006 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.338 7.543 -6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.011 9.135 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.232 9.166 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.103 8.770 -2.874 1.00 0.00 H new ATOM 1330 N ILE A 93 10.939 3.963 -2.035 1.00 0.00 N ATOM 1331 CA ILE A 93 11.938 3.035 -1.410 1.00 0.00 C ATOM 1332 C ILE A 93 11.822 1.552 -1.937 1.00 0.00 C ATOM 1333 O ILE A 93 12.864 0.973 -2.245 1.00 0.00 O ATOM 1334 CB ILE A 93 11.941 3.211 0.155 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.373 4.645 0.610 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.848 2.184 0.884 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.936 5.046 2.032 1.00 0.00 C ATOM 0 H ILE A 93 10.317 4.411 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 93 12.938 3.319 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 93 10.902 3.038 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.459 4.716 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.966 5.370 -0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.805 2.360 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.501 1.174 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.876 2.296 0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.285 6.056 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.849 5.015 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.365 4.351 2.754 1.00 0.00 H new ATOM 1349 N ALA A 94 10.620 0.962 -2.131 1.00 0.00 N ATOM 1350 CA ALA A 94 10.452 -0.288 -2.934 1.00 0.00 C ATOM 1351 C ALA A 94 11.003 -0.266 -4.402 1.00 0.00 C ATOM 1352 O ALA A 94 11.688 -1.211 -4.804 1.00 0.00 O ATOM 1353 CB ALA A 94 8.963 -0.679 -2.909 1.00 0.00 C ATOM 0 H ALA A 94 9.748 1.325 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 94 11.083 -1.036 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.816 -1.590 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.649 -0.850 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.368 0.126 -3.340 1.00 0.00 H new ATOM 1359 N TYR A 95 10.760 0.806 -5.187 1.00 0.00 N ATOM 1360 CA TYR A 95 11.474 1.039 -6.478 1.00 0.00 C ATOM 1361 C TYR A 95 13.034 1.153 -6.376 1.00 0.00 C ATOM 1362 O TYR A 95 13.735 0.502 -7.152 1.00 0.00 O ATOM 1363 CB TYR A 95 10.809 2.248 -7.198 1.00 0.00 C ATOM 1364 CG TYR A 95 11.361 2.564 -8.600 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.246 1.623 -9.631 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.049 3.759 -8.835 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.845 1.858 -10.865 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.626 4.002 -10.080 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.534 3.046 -11.087 1.00 0.00 C ATOM 1370 OH TYR A 95 13.172 3.236 -12.282 1.00 0.00 O ATOM 0 H TYR A 95 10.077 1.528 -4.956 1.00 0.00 H new ATOM 0 HA TYR A 95 11.357 0.140 -7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.739 2.056 -7.282 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.926 3.132 -6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.690 0.711 -9.468 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.133 4.495 -8.049 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.775 1.119 -11.649 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.144 4.932 -10.263 1.00 0.00 H new ATOM 0 HH TYR A 95 13.663 2.423 -12.524 1.00 0.00 H new ATOM 1380 N LEU A 96 13.574 1.940 -5.434 1.00 0.00 N ATOM 1381 CA LEU A 96 15.041 2.014 -5.175 1.00 0.00 C ATOM 1382 C LEU A 96 15.711 0.748 -4.520 1.00 0.00 C ATOM 1383 O LEU A 96 16.910 0.539 -4.708 1.00 0.00 O ATOM 1384 CB LEU A 96 15.312 3.326 -4.391 1.00 0.00 C ATOM 1385 CG LEU A 96 14.888 4.671 -5.058 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.214 5.852 -4.132 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.511 4.888 -6.451 1.00 0.00 C ATOM 0 H LEU A 96 13.020 2.544 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 96 15.539 2.025 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.803 3.253 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.381 3.377 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 96 13.810 4.613 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.913 6.784 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.675 5.736 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.286 5.875 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.174 5.842 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.598 4.894 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.203 4.082 -7.117 1.00 0.00 H new ATOM 1399 N GLU A 97 14.960 -0.122 -3.816 1.00 0.00 N ATOM 1400 CA GLU A 97 15.333 -1.556 -3.600 1.00 0.00 C ATOM 1401 C GLU A 97 15.409 -2.431 -4.902 1.00 0.00 C ATOM 1402 O GLU A 97 16.348 -3.216 -5.044 1.00 0.00 O ATOM 1403 CB GLU A 97 14.351 -2.198 -2.578 1.00 0.00 C ATOM 1404 CG GLU A 97 14.517 -1.727 -1.115 1.00 0.00 C ATOM 1405 CD GLU A 97 13.474 -2.286 -0.155 1.00 0.00 C ATOM 1406 OE1 GLU A 97 13.751 -3.572 0.209 1.00 0.00 O ATOM 1407 OE2 GLU A 97 12.507 -1.643 0.245 1.00 0.00 O ATOM 0 H GLU A 97 14.077 0.138 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 97 16.352 -1.541 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.331 -1.985 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.476 -3.280 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.508 -2.014 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.472 -0.638 -1.089 1.00 0.00 H new ATOM 1414 N GLY A 98 14.453 -2.307 -5.847 1.00 0.00 N ATOM 1415 CA GLY A 98 14.607 -2.862 -7.226 1.00 0.00 C ATOM 1416 C GLY A 98 15.763 -2.308 -8.101 1.00 0.00 C ATOM 1417 O GLY A 98 16.483 -3.087 -8.729 1.00 0.00 O ATOM 0 H GLY A 98 13.565 -1.830 -5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.738 -3.941 -7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.672 -2.696 -7.761 1.00 0.00 H new ATOM 1421 N GLN A 99 15.952 -0.979 -8.133 1.00 0.00 N ATOM 1422 CA GLN A 99 17.139 -0.334 -8.763 1.00 0.00 C ATOM 1423 C GLN A 99 18.404 -0.427 -7.840 1.00 0.00 C ATOM 1424 O GLN A 99 18.711 0.507 -7.089 1.00 0.00 O ATOM 1425 CB GLN A 99 16.788 1.151 -9.088 1.00 0.00 C ATOM 1426 CG GLN A 99 15.670 1.441 -10.129 1.00 0.00 C ATOM 1427 CD GLN A 99 15.898 1.209 -11.632 1.00 0.00 C ATOM 1428 OE1 GLN A 99 14.968 1.350 -12.423 1.00 0.00 O ATOM 1429 NE2 GLN A 99 17.085 0.910 -12.111 1.00 0.00 N ATOM 0 H GLN A 99 15.294 -0.314 -7.727 1.00 0.00 H new ATOM 0 HA GLN A 99 17.386 -0.862 -9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.504 1.636 -8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.699 1.638 -9.436 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.806 0.842 -9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.387 2.487 -10.008 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.875 0.787 -11.477 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.216 0.801 -13.117 1.00 0.00 H new ATOM 1438 N GLN A 100 19.147 -1.546 -7.907 1.00 0.00 N ATOM 1439 CA GLN A 100 20.440 -1.703 -7.188 1.00 0.00 C ATOM 1440 C GLN A 100 21.473 -2.358 -8.135 1.00 0.00 C ATOM 1441 O GLN A 100 21.502 -3.604 -8.266 1.00 0.00 O ATOM 1442 CB GLN A 100 20.286 -2.392 -5.798 1.00 0.00 C ATOM 1443 CG GLN A 100 19.447 -1.597 -4.751 1.00 0.00 C ATOM 1444 CD GLN A 100 19.583 -1.982 -3.276 1.00 0.00 C ATOM 1445 OE1 GLN A 100 18.685 -2.534 -2.649 1.00 0.00 O ATOM 1446 NE2 GLN A 100 20.674 -1.619 -2.644 1.00 0.00 N ATOM 1447 OXT GLN A 100 22.269 -1.610 -8.757 1.00 0.00 O ATOM 0 H GLN A 100 18.878 -2.364 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 100 20.828 -0.719 -6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.824 -3.368 -5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.280 -2.568 -5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.708 -0.543 -4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.396 -1.691 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 100 21.429 -1.159 -3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 100 20.767 -1.797 -1.644 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 18.257 14.303 -3.989 1.00 0.00 FE HETATM 1458 CHA HEC A 101 21.159 13.703 -2.253 1.00 0.00 C HETATM 1459 CHB HEC A 101 17.302 11.274 -2.579 1.00 0.00 C HETATM 1460 CHC HEC A 101 15.227 14.943 -5.084 1.00 0.00 C HETATM 1461 CHD HEC A 101 19.335 16.908 -5.467 1.00 0.00 C HETATM 1462 NA HEC A 101 18.941 12.983 -2.636 1.00 0.00 N HETATM 1463 C1A HEC A 101 20.132 12.869 -2.080 1.00 0.00 C HETATM 1464 C2A HEC A 101 20.367 11.778 -1.301 1.00 0.00 C HETATM 1465 C3A HEC A 101 19.232 11.103 -1.358 1.00 0.00 C HETATM 1466 C4A HEC A 101 18.466 11.820 -2.220 1.00 0.00 C HETATM 1467 CMA HEC A 101 18.939 9.790 -0.603 1.00 0.00 C HETATM 1468 CAA HEC A 101 21.634 11.278 -0.556 1.00 0.00 C HETATM 1469 CBA HEC A 101 22.390 10.212 -1.393 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.824 9.861 -0.991 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.499 9.176 -1.797 1.00 0.00 O HETATM 1472 O2A HEC A 101 24.305 10.269 0.091 1.00 0.00 O HETATM 1473 NB HEC A 101 16.690 13.288 -3.901 1.00 0.00 N HETATM 1474 C1B HEC A 101 16.365 11.976 -3.451 1.00 0.00 C HETATM 1475 C2B HEC A 101 15.099 11.520 -3.808 1.00 0.00 C HETATM 1476 C3B HEC A 101 14.457 12.596 -4.386 1.00 0.00 C HETATM 1477 C4B HEC A 101 15.405 13.640 -4.410 1.00 0.00 C HETATM 1478 CMB HEC A 101 14.559 10.087 -3.686 1.00 0.00 C HETATM 1479 CAB HEC A 101 13.054 12.574 -5.041 1.00 0.00 C HETATM 1480 CBB HEC A 101 11.940 12.433 -3.991 1.00 0.00 C HETATM 1481 NC HEC A 101 17.414 15.729 -4.850 1.00 0.00 N HETATM 1482 C1C HEC A 101 16.210 15.824 -5.312 1.00 0.00 C HETATM 1483 C2C HEC A 101 16.001 16.872 -6.143 1.00 0.00 C HETATM 1484 C3C HEC A 101 17.209 17.413 -6.318 1.00 0.00 C HETATM 1485 C4C HEC A 101 18.015 16.668 -5.517 1.00 0.00 C HETATM 1486 CMC HEC A 101 14.725 17.363 -6.845 1.00 0.00 C HETATM 1487 CAC HEC A 101 17.577 18.557 -7.311 1.00 0.00 C HETATM 1488 CBC HEC A 101 16.803 19.873 -7.128 1.00 0.00 C HETATM 1489 ND HEC A 101 19.948 14.992 -4.008 1.00 0.00 N HETATM 1490 C1D HEC A 101 20.330 16.173 -4.667 1.00 0.00 C HETATM 1491 C2D HEC A 101 21.616 16.634 -4.347 1.00 0.00 C HETATM 1492 C3D HEC A 101 22.123 15.752 -3.416 1.00 0.00 C HETATM 1493 C4D HEC A 101 21.114 14.802 -3.219 1.00 0.00 C HETATM 1494 CMD HEC A 101 22.321 17.896 -4.850 1.00 0.00 C HETATM 1495 CAD HEC A 101 23.543 15.705 -2.816 1.00 0.00 C HETATM 1496 CBD HEC A 101 23.639 16.444 -1.465 1.00 0.00 C HETATM 1497 CGD HEC A 101 25.003 16.425 -0.771 1.00 0.00 C HETATM 1498 O1D HEC A 101 25.033 16.410 0.481 1.00 0.00 O HETATM 1499 O2D HEC A 101 26.044 16.468 -1.460 1.00 0.00 O HETATM 0 HMD3 HEC A 101 22.411 17.855 -5.936 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 21.741 18.774 -4.567 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 23.314 17.959 -4.406 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 14.343 16.577 -7.497 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 13.972 17.613 -6.098 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 14.954 18.248 -7.439 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 15.177 9.414 -4.280 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 14.584 9.776 -2.642 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 13.532 10.053 -4.050 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 19.653 9.026 -0.911 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.029 9.959 0.470 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 17.928 9.455 -0.834 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 23.352 17.483 -1.624 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 22.905 16.010 -0.786 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 15.736 19.689 -7.256 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 16.985 20.266 -6.128 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 17.138 20.598 -7.870 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 12.076 11.503 -3.439 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 11.983 13.275 -3.300 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 10.970 12.421 -4.489 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 21.804 9.294 -1.370 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 22.408 10.553 -2.428 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 23.842 14.666 -2.680 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 24.246 16.149 -3.520 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 22.295 12.120 -0.351 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 21.350 10.854 0.407 1.00 0.00 H new HETATM 0 HHD HEC A 101 19.708 17.729 -6.080 1.00 0.00 H new HETATM 0 HHC HEC A 101 14.224 15.206 -5.420 1.00 0.00 H new HETATM 0 HHB HEC A 101 17.045 10.280 -2.212 1.00 0.00 H new HETATM 0 HHA HEC A 101 22.060 13.562 -1.656 1.00 0.00 H new HETATM 0 H2D HEC A 101 26.563 17.263 -1.219 1.00 0.00 H new HETATM 0 H2A HEC A 101 25.169 10.700 -0.077 1.00 0.00 H new