USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 SER OG : rot 179:sc= 0.618 USER MOD Set 1.2: A 41 SER OG : rot -68:sc= 0.627 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 10 CYS SG : rot 180:sc= -3.94 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -5.32! (180deg=-6.94!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.171 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -74:sc= 0.116 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 79:sc= 1.01 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.35 (180deg=-0.937) USER MOD Single : A 50 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.6! C(o=-1.6!,f=-2.4!) USER MOD Single : A 62 SER OG : rot 61:sc= 1.27 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.45) USER MOD Single : A 71 MET CE :methyl -168:sc= 0 (180deg=-0.298) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -3.883 0.452 11.386 1.00 0.00 N ATOM 53 CA GLY A 6 -2.976 1.582 11.738 1.00 0.00 C ATOM 54 C GLY A 6 -1.603 1.033 12.128 1.00 0.00 C ATOM 55 O GLY A 6 -0.946 1.550 13.010 1.00 0.00 O ATOM 0 HA2 GLY A 6 -2.880 2.262 10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.397 2.157 12.563 1.00 0.00 H new ATOM 59 N ARG A 7 -1.165 -0.011 11.479 1.00 0.00 N ATOM 60 CA ARG A 7 0.165 -0.592 11.816 1.00 0.00 C ATOM 61 C ARG A 7 1.250 0.100 10.988 1.00 0.00 C ATOM 62 O ARG A 7 1.053 0.420 9.832 1.00 0.00 O ATOM 63 CB ARG A 7 0.160 -2.089 11.500 1.00 0.00 C ATOM 64 CG ARG A 7 -0.815 -2.806 12.436 1.00 0.00 C ATOM 65 CD ARG A 7 -0.879 -4.290 12.069 1.00 0.00 C ATOM 66 NE ARG A 7 -1.507 -4.440 10.726 1.00 0.00 N ATOM 67 CZ ARG A 7 -1.411 -5.573 10.084 1.00 0.00 C ATOM 68 NH1 ARG A 7 -0.765 -6.574 10.620 1.00 0.00 N ATOM 69 NH2 ARG A 7 -1.960 -5.706 8.909 1.00 0.00 N ATOM 0 H ARG A 7 -1.670 -0.486 10.731 1.00 0.00 H new ATOM 0 HA ARG A 7 0.369 -0.444 12.876 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.130 -2.251 10.462 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.163 -2.500 11.618 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.493 -2.690 13.471 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.806 -2.358 12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.123 -4.718 12.064 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.456 -4.836 12.816 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.012 -3.658 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.336 -6.470 11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.690 -7.459 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.465 -4.925 8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.885 -6.591 8.408 1.00 0.00 H new ATOM 83 N THR A 8 2.394 0.333 11.570 1.00 0.00 N ATOM 84 CA THR A 8 3.486 1.015 10.820 1.00 0.00 C ATOM 85 C THR A 8 4.830 0.391 11.198 1.00 0.00 C ATOM 86 O THR A 8 4.989 -0.164 12.268 1.00 0.00 O ATOM 87 CB THR A 8 3.498 2.504 11.176 1.00 0.00 C ATOM 88 OG1 THR A 8 3.820 2.658 12.550 1.00 0.00 O ATOM 89 CG2 THR A 8 2.118 3.107 10.902 1.00 0.00 C ATOM 0 H THR A 8 2.620 0.081 12.532 1.00 0.00 H new ATOM 0 HA THR A 8 3.318 0.899 9.749 1.00 0.00 H new ATOM 0 HB THR A 8 4.243 3.017 10.568 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.830 3.611 12.779 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.127 4.167 11.156 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.872 2.989 9.847 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.370 2.595 11.508 1.00 0.00 H new ATOM 97 N ASP A 9 5.801 0.474 10.330 1.00 0.00 N ATOM 98 CA ASP A 9 7.140 -0.095 10.651 1.00 0.00 C ATOM 99 C ASP A 9 7.825 0.778 11.704 1.00 0.00 C ATOM 100 O ASP A 9 7.573 1.962 11.804 1.00 0.00 O ATOM 101 CB ASP A 9 7.996 -0.131 9.383 1.00 0.00 C ATOM 102 CG ASP A 9 7.475 -1.221 8.445 1.00 0.00 C ATOM 103 OD1 ASP A 9 6.716 -2.058 8.906 1.00 0.00 O ATOM 104 OD2 ASP A 9 7.844 -1.201 7.283 1.00 0.00 O ATOM 0 H ASP A 9 5.725 0.912 9.412 1.00 0.00 H new ATOM 0 HA ASP A 9 7.022 -1.107 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.966 0.838 8.884 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.037 -0.325 9.640 1.00 0.00 H new ATOM 109 N CYS A 10 8.692 0.202 12.493 1.00 0.00 N ATOM 110 CA CYS A 10 9.390 0.997 13.541 1.00 0.00 C ATOM 111 C CYS A 10 10.825 1.281 13.094 1.00 0.00 C ATOM 112 O CYS A 10 11.598 0.377 12.843 1.00 0.00 O ATOM 113 CB CYS A 10 9.410 0.208 14.852 1.00 0.00 C ATOM 114 SG CYS A 10 7.760 0.232 15.596 1.00 0.00 S ATOM 0 H CYS A 10 8.946 -0.785 12.456 1.00 0.00 H new ATOM 0 HA CYS A 10 8.864 1.939 13.693 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.722 -0.820 14.666 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.137 0.642 15.539 1.00 0.00 H new ATOM 0 HG CYS A 10 7.776 -0.440 16.709 1.00 0.00 H new ATOM 120 N PRO A 11 11.176 2.534 12.997 1.00 0.00 N ATOM 121 CA PRO A 11 12.536 2.963 12.563 1.00 0.00 C ATOM 122 C PRO A 11 13.595 2.713 13.641 1.00 0.00 C ATOM 123 O PRO A 11 14.748 2.470 13.348 1.00 0.00 O ATOM 124 CB PRO A 11 12.382 4.462 12.303 1.00 0.00 C ATOM 125 CG PRO A 11 11.224 4.895 13.142 1.00 0.00 C ATOM 126 CD PRO A 11 10.307 3.683 13.292 1.00 0.00 C ATOM 0 HA PRO A 11 12.876 2.404 11.691 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.288 5.003 12.576 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.198 4.660 11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.563 5.246 14.117 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.695 5.724 12.672 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.891 3.620 14.298 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.465 3.733 12.602 1.00 0.00 H new ATOM 134 N ALA A 12 13.211 2.772 14.888 1.00 0.00 N ATOM 135 CA ALA A 12 14.196 2.540 15.981 1.00 0.00 C ATOM 136 C ALA A 12 14.380 1.036 16.192 1.00 0.00 C ATOM 137 O ALA A 12 15.292 0.601 16.867 1.00 0.00 O ATOM 138 CB ALA A 12 13.681 3.177 17.274 1.00 0.00 C ATOM 0 H ALA A 12 12.259 2.971 15.196 1.00 0.00 H new ATOM 0 HA ALA A 12 15.152 2.988 15.710 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.401 3.008 18.075 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.550 4.249 17.124 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.725 2.729 17.545 1.00 0.00 H new ATOM 144 N LEU A 13 13.521 0.237 15.620 1.00 0.00 N ATOM 145 CA LEU A 13 13.643 -1.238 15.795 1.00 0.00 C ATOM 146 C LEU A 13 13.974 -1.887 14.450 1.00 0.00 C ATOM 147 O LEU A 13 13.604 -1.390 13.404 1.00 0.00 O ATOM 148 CB LEU A 13 12.320 -1.800 16.321 1.00 0.00 C ATOM 149 CG LEU A 13 12.340 -1.804 17.850 1.00 0.00 C ATOM 150 CD1 LEU A 13 12.398 -0.366 18.365 1.00 0.00 C ATOM 151 CD2 LEU A 13 11.069 -2.480 18.372 1.00 0.00 C ATOM 0 H LEU A 13 12.740 0.542 15.039 1.00 0.00 H new ATOM 0 HA LEU A 13 14.439 -1.454 16.507 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.487 -1.197 15.959 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.168 -2.812 15.946 1.00 0.00 H new ATOM 0 HG LEU A 13 13.216 -2.350 18.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.412 -0.370 19.455 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.301 0.118 17.992 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.522 0.181 18.016 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.081 -2.484 19.462 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.195 -1.932 18.021 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.026 -3.506 18.006 1.00 0.00 H new ATOM 163 N PRO A 14 14.669 -2.991 14.482 1.00 0.00 N ATOM 164 CA PRO A 14 15.059 -3.737 13.251 1.00 0.00 C ATOM 165 C PRO A 14 13.911 -3.828 12.241 1.00 0.00 C ATOM 166 O PRO A 14 12.751 -3.756 12.598 1.00 0.00 O ATOM 167 CB PRO A 14 15.428 -5.131 13.765 1.00 0.00 C ATOM 168 CG PRO A 14 15.815 -4.940 15.195 1.00 0.00 C ATOM 169 CD PRO A 14 15.157 -3.649 15.702 1.00 0.00 C ATOM 0 HA PRO A 14 15.872 -3.241 12.721 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.587 -5.818 13.675 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.250 -5.557 13.189 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.492 -5.792 15.793 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.899 -4.877 15.290 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.341 -3.862 16.393 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.871 -3.021 16.235 1.00 0.00 H new ATOM 177 N PRO A 15 14.239 -3.985 10.988 1.00 0.00 N ATOM 178 CA PRO A 15 13.230 -4.117 9.899 1.00 0.00 C ATOM 179 C PRO A 15 12.224 -5.238 10.173 1.00 0.00 C ATOM 180 O PRO A 15 12.592 -6.369 10.423 1.00 0.00 O ATOM 181 CB PRO A 15 14.070 -4.443 8.663 1.00 0.00 C ATOM 182 CG PRO A 15 15.444 -3.942 8.973 1.00 0.00 C ATOM 183 CD PRO A 15 15.615 -4.056 10.474 1.00 0.00 C ATOM 0 HA PRO A 15 12.630 -3.213 9.792 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.078 -5.515 8.465 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.666 -3.958 7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.198 -4.530 8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.563 -2.909 8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.098 -4.993 10.752 1.00 0.00 H new ATOM 0 HD3 PRO A 15 16.232 -3.249 10.869 1.00 0.00 H new ATOM 191 N GLY A 16 10.956 -4.933 10.130 1.00 0.00 N ATOM 192 CA GLY A 16 9.927 -5.985 10.371 1.00 0.00 C ATOM 193 C GLY A 16 9.093 -5.611 11.598 1.00 0.00 C ATOM 194 O GLY A 16 7.925 -5.929 11.687 1.00 0.00 O ATOM 0 H GLY A 16 10.588 -4.001 9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.283 -6.086 9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.408 -6.951 10.526 1.00 0.00 H new ATOM 198 N TRP A 17 9.686 -4.937 12.547 1.00 0.00 N ATOM 199 CA TRP A 17 8.926 -4.544 13.767 1.00 0.00 C ATOM 200 C TRP A 17 7.742 -3.662 13.367 1.00 0.00 C ATOM 201 O TRP A 17 7.853 -2.807 12.511 1.00 0.00 O ATOM 202 CB TRP A 17 9.846 -3.765 14.711 1.00 0.00 C ATOM 203 CG TRP A 17 10.591 -4.724 15.583 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.848 -5.167 15.354 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.149 -5.364 16.816 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.207 -6.038 16.367 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.194 -6.192 17.292 1.00 0.00 C ATOM 208 CE3 TRP A 17 8.957 -5.306 17.560 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.059 -6.936 18.465 1.00 0.00 C ATOM 210 CZ3 TRP A 17 8.819 -6.054 18.740 1.00 0.00 C ATOM 211 CH2 TRP A 17 9.868 -6.868 19.192 1.00 0.00 C ATOM 0 H TRP A 17 10.662 -4.642 12.529 1.00 0.00 H new ATOM 0 HA TRP A 17 8.559 -5.438 14.272 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.547 -3.160 14.136 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.260 -3.079 15.323 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.470 -4.887 14.517 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.110 -6.509 16.424 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.143 -4.682 17.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 11.870 -7.561 18.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.899 -6.002 19.303 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.755 -7.441 20.100 1.00 0.00 H new ATOM 222 N LYS A 18 6.608 -3.863 13.980 1.00 0.00 N ATOM 223 CA LYS A 18 5.412 -3.050 13.620 1.00 0.00 C ATOM 224 C LYS A 18 4.818 -2.429 14.886 1.00 0.00 C ATOM 225 O LYS A 18 4.982 -2.941 15.976 1.00 0.00 O ATOM 226 CB LYS A 18 4.367 -3.947 12.953 1.00 0.00 C ATOM 227 CG LYS A 18 4.899 -4.435 11.604 1.00 0.00 C ATOM 228 CD LYS A 18 3.871 -5.364 10.954 1.00 0.00 C ATOM 229 CE LYS A 18 4.420 -5.884 9.625 1.00 0.00 C ATOM 230 NZ LYS A 18 3.447 -6.841 9.025 1.00 0.00 N ATOM 0 H LYS A 18 6.458 -4.555 14.714 1.00 0.00 H new ATOM 0 HA LYS A 18 5.705 -2.259 12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.139 -4.798 13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.437 -3.397 12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.100 -3.585 10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.844 -4.961 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.648 -6.199 11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.936 -4.829 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.597 -5.053 8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.380 -6.376 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.820 -7.195 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.300 -7.639 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.541 -6.357 8.860 1.00 0.00 H new ATOM 244 N LYS A 19 4.128 -1.329 14.750 1.00 0.00 N ATOM 245 CA LYS A 19 3.524 -0.678 15.947 1.00 0.00 C ATOM 246 C LYS A 19 2.111 -0.200 15.609 1.00 0.00 C ATOM 247 O LYS A 19 1.826 0.186 14.493 1.00 0.00 O ATOM 248 CB LYS A 19 4.381 0.520 16.363 1.00 0.00 C ATOM 249 CG LYS A 19 4.617 1.424 15.152 1.00 0.00 C ATOM 250 CD LYS A 19 4.858 2.860 15.625 1.00 0.00 C ATOM 251 CE LYS A 19 6.223 2.949 16.310 1.00 0.00 C ATOM 252 NZ LYS A 19 6.413 4.321 16.860 1.00 0.00 N ATOM 0 H LYS A 19 3.957 -0.854 13.864 1.00 0.00 H new ATOM 0 HA LYS A 19 3.479 -1.395 16.767 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.883 1.079 17.156 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.334 0.177 16.765 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.475 1.069 14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.755 1.389 14.486 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.819 3.545 14.778 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.072 3.163 16.316 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.289 2.212 17.110 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.015 2.718 15.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.429 4.508 16.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.011 5.018 16.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.932 4.396 17.779 1.00 0.00 H new ATOM 266 N GLU A 20 1.222 -0.224 16.565 1.00 0.00 N ATOM 267 CA GLU A 20 -0.170 0.234 16.300 1.00 0.00 C ATOM 268 C GLU A 20 -0.618 1.179 17.417 1.00 0.00 C ATOM 269 O GLU A 20 -0.151 1.096 18.536 1.00 0.00 O ATOM 270 CB GLU A 20 -1.105 -0.977 16.251 1.00 0.00 C ATOM 271 CG GLU A 20 -2.531 -0.510 15.957 1.00 0.00 C ATOM 272 CD GLU A 20 -3.459 -1.723 15.872 1.00 0.00 C ATOM 273 OE1 GLU A 20 -3.031 -2.799 16.256 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.582 -1.555 15.426 1.00 0.00 O ATOM 0 H GLU A 20 1.401 -0.541 17.518 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.204 0.758 15.345 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.774 -1.674 15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.075 -1.512 17.200 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.872 0.167 16.740 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.557 0.047 15.020 1.00 0.00 H new ATOM 281 N GLU A 21 -1.517 2.077 17.124 1.00 0.00 N ATOM 282 CA GLU A 21 -1.987 3.030 18.168 1.00 0.00 C ATOM 283 C GLU A 21 -3.516 3.011 18.229 1.00 0.00 C ATOM 284 O GLU A 21 -4.188 3.273 17.251 1.00 0.00 O ATOM 285 CB GLU A 21 -1.508 4.441 17.822 1.00 0.00 C ATOM 286 CG GLU A 21 -1.978 5.419 18.901 1.00 0.00 C ATOM 287 CD GLU A 21 -1.399 6.807 18.620 1.00 0.00 C ATOM 288 OE1 GLU A 21 -1.451 7.228 17.476 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.915 7.425 19.553 1.00 0.00 O ATOM 0 H GLU A 21 -1.947 2.192 16.206 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.583 2.735 19.136 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.421 4.459 17.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.899 4.741 16.850 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.067 5.464 18.916 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.659 5.073 19.884 1.00 0.00 H new ATOM 296 N VAL A 22 -4.070 2.701 19.369 1.00 0.00 N ATOM 297 CA VAL A 22 -5.554 2.676 19.493 1.00 0.00 C ATOM 298 C VAL A 22 -5.988 3.629 20.608 1.00 0.00 C ATOM 299 O VAL A 22 -5.421 3.642 21.683 1.00 0.00 O ATOM 300 CB VAL A 22 -6.013 1.255 19.829 1.00 0.00 C ATOM 301 CG1 VAL A 22 -7.499 1.272 20.196 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.801 0.351 18.613 1.00 0.00 C ATOM 0 H VAL A 22 -3.559 2.464 20.219 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.003 2.990 18.551 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.434 0.876 20.671 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.826 0.260 20.435 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.653 1.917 21.061 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.078 1.651 19.353 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.127 -0.661 18.851 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.381 0.731 17.772 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.744 0.339 18.349 1.00 0.00 H new ATOM 312 N ILE A 23 -6.990 4.429 20.362 1.00 0.00 N ATOM 313 CA ILE A 23 -7.455 5.383 21.408 1.00 0.00 C ATOM 314 C ILE A 23 -8.717 4.834 22.075 1.00 0.00 C ATOM 315 O ILE A 23 -9.547 4.214 21.440 1.00 0.00 O ATOM 316 CB ILE A 23 -7.765 6.735 20.763 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.502 7.282 20.095 1.00 0.00 C ATOM 318 CG2 ILE A 23 -8.240 7.716 21.836 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.858 8.513 19.259 1.00 0.00 C ATOM 0 H ILE A 23 -7.506 4.463 19.483 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.674 5.509 22.158 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.547 6.610 20.015 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.763 7.545 20.851 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.052 6.517 19.462 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.461 8.679 21.376 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.140 7.327 22.312 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.458 7.842 22.585 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.958 8.902 18.783 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.582 8.236 18.493 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.288 9.279 19.904 1.00 0.00 H new ATOM 331 N ARG A 24 -8.869 5.055 23.351 1.00 0.00 N ATOM 332 CA ARG A 24 -10.072 4.536 24.060 1.00 0.00 C ATOM 333 C ARG A 24 -11.333 5.107 23.411 1.00 0.00 C ATOM 334 O ARG A 24 -11.581 6.296 23.452 1.00 0.00 O ATOM 335 CB ARG A 24 -10.019 4.958 25.530 1.00 0.00 C ATOM 336 CG ARG A 24 -8.694 4.505 26.145 1.00 0.00 C ATOM 337 CD ARG A 24 -8.797 4.542 27.671 1.00 0.00 C ATOM 338 NE ARG A 24 -7.490 4.151 28.267 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.390 3.969 29.556 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.437 4.122 30.319 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.243 3.634 30.080 1.00 0.00 N ATOM 0 H ARG A 24 -8.212 5.573 23.934 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.091 3.448 23.994 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.119 6.040 25.612 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.854 4.519 26.076 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.453 3.496 25.811 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.885 5.154 25.809 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.075 5.542 28.003 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.580 3.864 28.010 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.673 4.025 27.669 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.333 4.384 29.909 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.359 3.980 31.326 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.425 3.514 29.483 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.164 3.492 31.087 1.00 0.00 H new ATOM 355 N LYS A 25 -12.134 4.269 22.811 1.00 0.00 N ATOM 356 CA LYS A 25 -13.370 4.766 22.146 1.00 0.00 C ATOM 357 C LYS A 25 -14.419 5.106 23.208 1.00 0.00 C ATOM 358 O LYS A 25 -15.504 5.559 22.900 1.00 0.00 O ATOM 359 CB LYS A 25 -13.921 3.684 21.214 1.00 0.00 C ATOM 360 CG LYS A 25 -13.979 2.349 21.962 1.00 0.00 C ATOM 361 CD LYS A 25 -12.905 1.408 21.412 1.00 0.00 C ATOM 362 CE LYS A 25 -13.400 0.771 20.113 1.00 0.00 C ATOM 363 NZ LYS A 25 -12.239 0.222 19.355 1.00 0.00 N ATOM 0 H LYS A 25 -11.985 3.262 22.753 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.135 5.659 21.566 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.916 3.961 20.865 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.288 3.592 20.332 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.824 2.511 23.029 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.965 1.899 21.848 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.982 1.959 21.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.675 0.634 22.144 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.113 -0.024 20.334 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.925 1.511 19.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.575 -0.211 18.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.575 0.991 19.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.757 -0.497 19.931 1.00 0.00 H new ATOM 377 N SER A 26 -14.104 4.891 24.456 1.00 0.00 N ATOM 378 CA SER A 26 -15.086 5.190 25.534 1.00 0.00 C ATOM 379 C SER A 26 -15.077 6.691 25.831 1.00 0.00 C ATOM 380 O SER A 26 -14.602 7.487 25.045 1.00 0.00 O ATOM 381 CB SER A 26 -14.707 4.419 26.799 1.00 0.00 C ATOM 382 OG SER A 26 -15.849 4.299 27.636 1.00 0.00 O ATOM 0 H SER A 26 -13.209 4.521 24.775 1.00 0.00 H new ATOM 0 HA SER A 26 -16.082 4.889 25.210 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.329 3.431 26.537 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.907 4.937 27.328 1.00 0.00 H new ATOM 0 HG SER A 26 -15.610 3.804 28.447 1.00 0.00 H new ATOM 388 N GLY A 27 -15.601 7.086 26.960 1.00 0.00 N ATOM 389 CA GLY A 27 -15.721 8.541 27.258 1.00 0.00 C ATOM 390 C GLY A 27 -14.808 9.332 26.321 1.00 0.00 C ATOM 391 O GLY A 27 -13.689 8.941 26.055 1.00 0.00 O ATOM 0 H GLY A 27 -15.951 6.464 27.688 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.755 8.864 27.134 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.449 8.734 28.296 1.00 0.00 H new ATOM 395 N LEU A 28 -15.274 10.442 25.818 1.00 0.00 N ATOM 396 CA LEU A 28 -14.434 11.252 24.893 1.00 0.00 C ATOM 397 C LEU A 28 -13.199 11.761 25.640 1.00 0.00 C ATOM 398 O LEU A 28 -12.114 11.822 25.095 1.00 0.00 O ATOM 399 CB LEU A 28 -15.245 12.443 24.378 1.00 0.00 C ATOM 400 CG LEU A 28 -14.381 13.278 23.431 1.00 0.00 C ATOM 401 CD1 LEU A 28 -13.914 12.407 22.264 1.00 0.00 C ATOM 402 CD2 LEU A 28 -15.204 14.451 22.893 1.00 0.00 C ATOM 0 H LEU A 28 -16.201 10.823 26.008 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.121 10.634 24.051 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -16.137 12.092 23.859 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.583 13.055 25.214 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.513 13.658 23.970 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.298 13.002 21.589 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.329 11.570 22.646 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.781 12.027 21.724 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.590 15.047 22.218 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.071 14.070 22.354 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.538 15.073 23.724 1.00 0.00 H new ATOM 414 N SER A 29 -13.354 12.127 26.883 1.00 0.00 N ATOM 415 CA SER A 29 -12.185 12.611 27.669 1.00 0.00 C ATOM 416 C SER A 29 -11.083 11.549 27.649 1.00 0.00 C ATOM 417 O SER A 29 -10.101 11.647 28.359 1.00 0.00 O ATOM 418 CB SER A 29 -12.615 12.873 29.113 1.00 0.00 C ATOM 419 OG SER A 29 -13.861 13.556 29.115 1.00 0.00 O ATOM 0 H SER A 29 -14.240 12.112 27.388 1.00 0.00 H new ATOM 0 HA SER A 29 -11.808 13.534 27.229 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.702 11.931 29.655 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.860 13.468 29.627 1.00 0.00 H new ATOM 0 HG SER A 29 -14.140 13.724 30.039 1.00 0.00 H new ATOM 425 N ALA A 30 -11.237 10.535 26.843 1.00 0.00 N ATOM 426 CA ALA A 30 -10.210 9.457 26.797 1.00 0.00 C ATOM 427 C ALA A 30 -8.819 10.082 26.671 1.00 0.00 C ATOM 428 O ALA A 30 -8.099 10.218 27.641 1.00 0.00 O ATOM 429 CB ALA A 30 -10.473 8.552 25.591 1.00 0.00 C ATOM 0 H ALA A 30 -12.030 10.406 26.214 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.262 8.867 27.712 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.722 7.763 25.557 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.464 8.106 25.680 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.421 9.142 24.676 1.00 0.00 H new ATOM 435 N GLY A 31 -8.436 10.463 25.484 1.00 0.00 N ATOM 436 CA GLY A 31 -7.094 11.086 25.298 1.00 0.00 C ATOM 437 C GLY A 31 -6.006 10.053 25.594 1.00 0.00 C ATOM 438 O GLY A 31 -4.860 10.222 25.226 1.00 0.00 O ATOM 0 H GLY A 31 -8.993 10.370 24.635 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.991 11.456 24.278 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.985 11.945 25.961 1.00 0.00 H new ATOM 442 N LYS A 32 -6.353 8.985 26.258 1.00 0.00 N ATOM 443 CA LYS A 32 -5.338 7.941 26.573 1.00 0.00 C ATOM 444 C LYS A 32 -5.140 7.037 25.355 1.00 0.00 C ATOM 445 O LYS A 32 -6.087 6.543 24.776 1.00 0.00 O ATOM 446 CB LYS A 32 -5.820 7.103 27.759 1.00 0.00 C ATOM 447 CG LYS A 32 -5.803 7.956 29.029 1.00 0.00 C ATOM 448 CD LYS A 32 -6.251 7.108 30.220 1.00 0.00 C ATOM 449 CE LYS A 32 -6.219 7.958 31.492 1.00 0.00 C ATOM 450 NZ LYS A 32 -6.640 7.127 32.656 1.00 0.00 N ATOM 0 H LYS A 32 -7.295 8.790 26.596 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.392 8.419 26.827 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.828 6.733 27.570 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.179 6.231 27.886 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.801 8.347 29.204 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.464 8.815 28.912 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.258 6.726 30.050 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.597 6.243 30.331 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.215 8.350 31.655 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.882 8.816 31.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.618 7.704 33.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.606 6.774 32.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.990 6.322 32.761 1.00 0.00 H new ATOM 464 N SER A 33 -3.916 6.815 24.962 1.00 0.00 N ATOM 465 CA SER A 33 -3.660 5.961 23.767 1.00 0.00 C ATOM 466 C SER A 33 -2.746 4.797 24.158 1.00 0.00 C ATOM 467 O SER A 33 -1.896 4.925 25.017 1.00 0.00 O ATOM 468 CB SER A 33 -2.986 6.796 22.679 1.00 0.00 C ATOM 469 OG SER A 33 -1.771 7.333 23.185 1.00 0.00 O ATOM 0 H SER A 33 -3.082 7.188 25.416 1.00 0.00 H new ATOM 0 HA SER A 33 -4.605 5.570 23.391 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.787 6.180 21.802 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.648 7.601 22.360 1.00 0.00 H new ATOM 0 HG SER A 33 -1.335 7.868 22.489 1.00 0.00 H new ATOM 475 N ASP A 34 -2.913 3.664 23.534 1.00 0.00 N ATOM 476 CA ASP A 34 -2.045 2.498 23.860 1.00 0.00 C ATOM 477 C ASP A 34 -1.256 2.086 22.615 1.00 0.00 C ATOM 478 O ASP A 34 -1.795 1.997 21.529 1.00 0.00 O ATOM 479 CB ASP A 34 -2.915 1.327 24.323 1.00 0.00 C ATOM 480 CG ASP A 34 -3.531 1.655 25.684 1.00 0.00 C ATOM 481 OD1 ASP A 34 -3.051 2.579 26.322 1.00 0.00 O ATOM 482 OD2 ASP A 34 -4.470 0.977 26.067 1.00 0.00 O ATOM 0 H ASP A 34 -3.613 3.495 22.812 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.352 2.772 24.656 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.701 1.134 23.593 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.315 0.420 24.393 1.00 0.00 H new ATOM 487 N VAL A 35 0.016 1.835 22.762 1.00 0.00 N ATOM 488 CA VAL A 35 0.835 1.424 21.587 1.00 0.00 C ATOM 489 C VAL A 35 1.228 -0.047 21.730 1.00 0.00 C ATOM 490 O VAL A 35 1.717 -0.473 22.757 1.00 0.00 O ATOM 491 CB VAL A 35 2.096 2.285 21.520 1.00 0.00 C ATOM 492 CG1 VAL A 35 2.931 1.874 20.305 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.702 3.757 21.389 1.00 0.00 C ATOM 0 H VAL A 35 0.523 1.897 23.645 1.00 0.00 H new ATOM 0 HA VAL A 35 0.255 1.558 20.674 1.00 0.00 H new ATOM 0 HB VAL A 35 2.680 2.143 22.429 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.830 2.488 20.257 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.212 0.825 20.395 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.346 2.016 19.396 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.601 4.371 21.341 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.118 3.898 20.480 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.106 4.052 22.253 1.00 0.00 H new ATOM 503 N TYR A 36 1.020 -0.828 20.705 1.00 0.00 N ATOM 504 CA TYR A 36 1.391 -2.269 20.778 1.00 0.00 C ATOM 505 C TYR A 36 2.485 -2.566 19.750 1.00 0.00 C ATOM 506 O TYR A 36 2.505 -2.008 18.671 1.00 0.00 O ATOM 507 CB TYR A 36 0.162 -3.128 20.476 1.00 0.00 C ATOM 508 CG TYR A 36 -0.963 -2.744 21.408 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.981 -3.229 22.721 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.987 -1.902 20.958 1.00 0.00 C ATOM 511 CE1 TYR A 36 -2.024 -2.873 23.584 1.00 0.00 C ATOM 512 CE2 TYR A 36 -3.029 -1.546 21.821 1.00 0.00 C ATOM 513 CZ TYR A 36 -3.048 -2.031 23.135 1.00 0.00 C ATOM 514 OH TYR A 36 -4.075 -1.679 23.986 1.00 0.00 O ATOM 0 H TYR A 36 0.609 -0.530 19.820 1.00 0.00 H new ATOM 0 HA TYR A 36 1.759 -2.499 21.778 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.146 -2.989 19.440 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.404 -4.184 20.597 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.190 -3.878 23.068 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.973 -1.527 19.945 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.039 -3.248 24.597 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.819 -0.897 21.474 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.701 -1.089 23.517 1.00 0.00 H new ATOM 524 N TYR A 37 3.396 -3.443 20.075 1.00 0.00 N ATOM 525 CA TYR A 37 4.497 -3.762 19.123 1.00 0.00 C ATOM 526 C TYR A 37 4.411 -5.233 18.718 1.00 0.00 C ATOM 527 O TYR A 37 4.314 -6.113 19.551 1.00 0.00 O ATOM 528 CB TYR A 37 5.846 -3.494 19.796 1.00 0.00 C ATOM 529 CG TYR A 37 5.917 -2.048 20.225 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.270 -1.060 19.298 1.00 0.00 C ATOM 531 CD2 TYR A 37 5.630 -1.696 21.549 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.336 0.281 19.697 1.00 0.00 C ATOM 533 CE2 TYR A 37 5.696 -0.356 21.948 1.00 0.00 C ATOM 534 CZ TYR A 37 6.050 0.632 21.021 1.00 0.00 C ATOM 535 OH TYR A 37 6.115 1.954 21.413 1.00 0.00 O ATOM 0 H TYR A 37 3.425 -3.952 20.958 1.00 0.00 H new ATOM 0 HA TYR A 37 4.403 -3.136 18.235 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.969 -4.147 20.660 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.660 -3.720 19.107 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.491 -1.332 18.276 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.357 -2.459 22.263 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.608 1.044 18.983 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.474 -0.084 22.969 1.00 0.00 H new ATOM 0 HH TYR A 37 7.053 2.227 21.490 1.00 0.00 H new ATOM 545 N PHE A 38 4.447 -5.511 17.443 1.00 0.00 N ATOM 546 CA PHE A 38 4.379 -6.927 16.986 1.00 0.00 C ATOM 547 C PHE A 38 5.730 -7.339 16.396 1.00 0.00 C ATOM 548 O PHE A 38 6.277 -6.666 15.545 1.00 0.00 O ATOM 549 CB PHE A 38 3.293 -7.068 15.918 1.00 0.00 C ATOM 550 CG PHE A 38 1.947 -6.749 16.525 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.184 -7.767 17.109 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.461 -5.436 16.502 1.00 0.00 C ATOM 553 CE1 PHE A 38 -0.064 -7.472 17.671 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.213 -5.141 17.064 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.549 -6.159 17.649 1.00 0.00 C ATOM 0 H PHE A 38 4.521 -4.818 16.698 1.00 0.00 H new ATOM 0 HA PHE A 38 4.141 -7.570 17.833 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.497 -6.395 15.085 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.292 -8.081 15.516 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.558 -8.780 17.126 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.049 -4.651 16.051 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.653 -8.258 18.122 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.162 -4.128 17.046 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.511 -5.931 18.083 1.00 0.00 H new ATOM 565 N SER A 39 6.271 -8.440 16.841 1.00 0.00 N ATOM 566 CA SER A 39 7.588 -8.889 16.309 1.00 0.00 C ATOM 567 C SER A 39 7.398 -10.174 15.499 1.00 0.00 C ATOM 568 O SER A 39 6.357 -10.798 15.546 1.00 0.00 O ATOM 569 CB SER A 39 8.543 -9.157 17.472 1.00 0.00 C ATOM 570 OG SER A 39 9.030 -10.490 17.384 1.00 0.00 O ATOM 0 H SER A 39 5.858 -9.047 17.549 1.00 0.00 H new ATOM 0 HA SER A 39 8.005 -8.112 15.668 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.374 -8.452 17.445 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.029 -9.008 18.421 1.00 0.00 H new ATOM 0 HG SER A 39 9.656 -10.659 18.119 1.00 0.00 H new ATOM 576 N PRO A 40 8.403 -10.562 14.764 1.00 0.00 N ATOM 577 CA PRO A 40 8.370 -11.803 13.939 1.00 0.00 C ATOM 578 C PRO A 40 8.064 -13.047 14.778 1.00 0.00 C ATOM 579 O PRO A 40 7.640 -14.064 14.264 1.00 0.00 O ATOM 580 CB PRO A 40 9.780 -11.885 13.352 1.00 0.00 C ATOM 581 CG PRO A 40 10.612 -10.969 14.187 1.00 0.00 C ATOM 582 CD PRO A 40 9.687 -9.853 14.639 1.00 0.00 C ATOM 0 HA PRO A 40 7.586 -11.768 13.183 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.162 -12.905 13.389 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.788 -11.579 12.306 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.033 -11.497 15.043 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.450 -10.572 13.614 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.006 -9.414 15.584 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.638 -9.042 13.912 1.00 0.00 H new ATOM 590 N SER A 41 8.276 -12.975 16.063 1.00 0.00 N ATOM 591 CA SER A 41 7.978 -14.146 16.934 1.00 0.00 C ATOM 592 C SER A 41 6.463 -14.296 17.084 1.00 0.00 C ATOM 593 O SER A 41 5.968 -15.333 17.478 1.00 0.00 O ATOM 594 CB SER A 41 8.608 -13.931 18.311 1.00 0.00 C ATOM 595 OG SER A 41 8.022 -12.789 18.922 1.00 0.00 O ATOM 0 H SER A 41 8.643 -12.156 16.547 1.00 0.00 H new ATOM 0 HA SER A 41 8.390 -15.049 16.483 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.454 -14.811 18.935 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.685 -13.793 18.214 1.00 0.00 H new ATOM 0 HG SER A 41 8.294 -11.982 18.436 1.00 0.00 H new ATOM 601 N GLY A 42 5.721 -13.268 16.773 1.00 0.00 N ATOM 602 CA GLY A 42 4.237 -13.360 16.878 1.00 0.00 C ATOM 603 C GLY A 42 3.806 -13.044 18.311 1.00 0.00 C ATOM 604 O GLY A 42 2.632 -13.013 18.624 1.00 0.00 O ATOM 0 H GLY A 42 6.078 -12.369 16.451 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.769 -12.662 16.184 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.903 -14.359 16.599 1.00 0.00 H new ATOM 608 N LYS A 43 4.746 -12.807 19.185 1.00 0.00 N ATOM 609 CA LYS A 43 4.389 -12.496 20.597 1.00 0.00 C ATOM 610 C LYS A 43 3.955 -11.033 20.704 1.00 0.00 C ATOM 611 O LYS A 43 4.511 -10.163 20.065 1.00 0.00 O ATOM 612 CB LYS A 43 5.606 -12.733 21.495 1.00 0.00 C ATOM 613 CG LYS A 43 5.204 -12.546 22.960 1.00 0.00 C ATOM 614 CD LYS A 43 6.397 -12.870 23.862 1.00 0.00 C ATOM 615 CE LYS A 43 5.987 -12.715 25.327 1.00 0.00 C ATOM 616 NZ LYS A 43 7.149 -13.031 26.204 1.00 0.00 N ATOM 0 H LYS A 43 5.745 -12.815 18.982 1.00 0.00 H new ATOM 0 HA LYS A 43 3.571 -13.142 20.915 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.996 -13.739 21.339 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.404 -12.038 21.234 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.874 -11.521 23.130 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.363 -13.196 23.203 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.741 -13.887 23.676 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.230 -12.205 23.634 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.643 -11.698 25.514 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.154 -13.380 25.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.871 -12.926 27.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.458 -14.009 26.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.931 -12.379 25.992 1.00 0.00 H new ATOM 630 N LYS A 44 2.962 -10.755 21.505 1.00 0.00 N ATOM 631 CA LYS A 44 2.480 -9.351 21.635 1.00 0.00 C ATOM 632 C LYS A 44 3.267 -8.642 22.739 1.00 0.00 C ATOM 633 O LYS A 44 3.528 -9.201 23.785 1.00 0.00 O ATOM 634 CB LYS A 44 0.991 -9.355 21.991 1.00 0.00 C ATOM 635 CG LYS A 44 0.480 -7.916 22.066 1.00 0.00 C ATOM 636 CD LYS A 44 -1.026 -7.921 22.337 1.00 0.00 C ATOM 637 CE LYS A 44 -1.539 -6.482 22.398 1.00 0.00 C ATOM 638 NZ LYS A 44 -3.019 -6.490 22.578 1.00 0.00 N ATOM 0 H LYS A 44 2.464 -11.439 22.074 1.00 0.00 H new ATOM 0 HA LYS A 44 2.627 -8.827 20.691 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.429 -9.913 21.242 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.836 -9.857 22.946 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.000 -7.375 22.856 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.690 -7.395 21.132 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.546 -8.470 21.552 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.235 -8.433 23.276 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.064 -5.950 23.222 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.276 -5.952 21.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.369 -5.512 22.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.463 -6.983 21.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.258 -6.981 23.463 1.00 0.00 H new ATOM 652 N PHE A 45 3.645 -7.414 22.514 1.00 0.00 N ATOM 653 CA PHE A 45 4.421 -6.673 23.548 1.00 0.00 C ATOM 654 C PHE A 45 3.728 -5.343 23.851 1.00 0.00 C ATOM 655 O PHE A 45 3.001 -4.811 23.036 1.00 0.00 O ATOM 656 CB PHE A 45 5.835 -6.404 23.029 1.00 0.00 C ATOM 657 CG PHE A 45 6.524 -7.716 22.740 1.00 0.00 C ATOM 658 CD1 PHE A 45 7.254 -8.360 23.746 1.00 0.00 C ATOM 659 CD2 PHE A 45 6.431 -8.288 21.465 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.893 -9.576 23.476 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.070 -9.504 21.197 1.00 0.00 C ATOM 662 CZ PHE A 45 7.801 -10.148 22.203 1.00 0.00 C ATOM 0 H PHE A 45 3.450 -6.892 21.660 1.00 0.00 H new ATOM 0 HA PHE A 45 4.475 -7.270 24.458 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.792 -5.797 22.125 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.403 -5.838 23.767 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.324 -7.919 24.729 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.867 -7.791 20.689 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.457 -10.073 24.251 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.999 -9.946 20.214 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.294 -11.086 21.996 1.00 0.00 H new ATOM 672 N ARG A 46 3.947 -4.802 25.018 1.00 0.00 N ATOM 673 CA ARG A 46 3.319 -3.495 25.363 1.00 0.00 C ATOM 674 C ARG A 46 4.081 -2.856 26.526 1.00 0.00 C ATOM 675 O ARG A 46 3.655 -2.907 27.664 1.00 0.00 O ATOM 676 CB ARG A 46 1.862 -3.720 25.771 1.00 0.00 C ATOM 677 CG ARG A 46 1.705 -5.128 26.350 1.00 0.00 C ATOM 678 CD ARG A 46 0.471 -5.174 27.253 1.00 0.00 C ATOM 679 NE ARG A 46 0.836 -4.702 28.618 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.101 -4.387 29.471 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.356 -4.489 29.128 1.00 0.00 N ATOM 682 NH2 ARG A 46 0.217 -3.972 30.666 1.00 0.00 N ATOM 0 H ARG A 46 4.533 -5.208 25.747 1.00 0.00 H new ATOM 0 HA ARG A 46 3.355 -2.834 24.497 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.561 -2.976 26.509 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.208 -3.595 24.908 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.606 -5.855 25.544 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.595 -5.400 26.918 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.319 -4.547 26.839 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.080 -6.190 27.301 1.00 0.00 H new ATOM 0 HE ARG A 46 1.817 -4.625 28.886 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.605 -4.815 28.194 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.088 -4.243 29.794 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.198 -3.893 30.934 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.515 -3.726 31.332 1.00 0.00 H new ATOM 696 N SER A 47 5.205 -2.253 26.251 1.00 0.00 N ATOM 697 CA SER A 47 6.002 -1.626 27.343 1.00 0.00 C ATOM 698 C SER A 47 7.456 -1.477 26.892 1.00 0.00 C ATOM 699 O SER A 47 8.133 -2.447 26.616 1.00 0.00 O ATOM 700 CB SER A 47 5.943 -2.511 28.589 1.00 0.00 C ATOM 701 OG SER A 47 4.978 -1.988 29.491 1.00 0.00 O ATOM 0 H SER A 47 5.606 -2.167 25.317 1.00 0.00 H new ATOM 0 HA SER A 47 5.591 -0.643 27.575 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.682 -3.532 28.312 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.921 -2.550 29.068 1.00 0.00 H new ATOM 0 HG SER A 47 4.080 -2.250 29.198 1.00 0.00 H new ATOM 707 N LYS A 48 7.941 -0.268 26.814 1.00 0.00 N ATOM 708 CA LYS A 48 9.356 -0.057 26.397 1.00 0.00 C ATOM 709 C LYS A 48 10.254 -1.076 27.102 1.00 0.00 C ATOM 710 O LYS A 48 10.994 -1.805 26.471 1.00 0.00 O ATOM 711 CB LYS A 48 9.794 1.358 26.778 1.00 0.00 C ATOM 712 CG LYS A 48 11.322 1.418 26.853 1.00 0.00 C ATOM 713 CD LYS A 48 11.778 2.877 26.821 1.00 0.00 C ATOM 714 CE LYS A 48 13.254 2.961 27.210 1.00 0.00 C ATOM 715 NZ LYS A 48 13.941 1.696 26.824 1.00 0.00 N ATOM 0 H LYS A 48 7.418 0.583 27.021 1.00 0.00 H new ATOM 0 HA LYS A 48 9.439 -0.185 25.318 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.427 2.074 26.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.361 1.638 27.738 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.671 0.937 27.767 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.759 0.871 26.018 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.630 3.293 25.825 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.176 3.472 27.508 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.725 3.809 26.713 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.350 3.127 28.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.971 1.834 26.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.667 0.938 27.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.665 1.433 25.856 1.00 0.00 H new ATOM 729 N PRO A 49 10.185 -1.122 28.404 1.00 0.00 N ATOM 730 CA PRO A 49 10.997 -2.065 29.224 1.00 0.00 C ATOM 731 C PRO A 49 10.772 -3.526 28.822 1.00 0.00 C ATOM 732 O PRO A 49 11.608 -4.379 29.050 1.00 0.00 O ATOM 733 CB PRO A 49 10.505 -1.822 30.651 1.00 0.00 C ATOM 734 CG PRO A 49 9.208 -1.098 30.506 1.00 0.00 C ATOM 735 CD PRO A 49 9.320 -0.274 29.238 1.00 0.00 C ATOM 0 HA PRO A 49 12.066 -1.894 29.097 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.372 -2.762 31.186 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.223 -1.231 31.219 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.376 -1.799 30.442 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.020 -0.460 31.369 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.348 -0.101 28.775 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.763 0.704 29.424 1.00 0.00 H new ATOM 743 N GLN A 50 9.649 -3.822 28.228 1.00 0.00 N ATOM 744 CA GLN A 50 9.384 -5.222 27.790 1.00 0.00 C ATOM 745 C GLN A 50 10.236 -5.545 26.561 1.00 0.00 C ATOM 746 O GLN A 50 10.937 -6.537 26.522 1.00 0.00 O ATOM 747 CB GLN A 50 7.903 -5.374 27.437 1.00 0.00 C ATOM 748 CG GLN A 50 7.579 -6.855 27.224 1.00 0.00 C ATOM 749 CD GLN A 50 7.544 -7.569 28.576 1.00 0.00 C ATOM 750 OE1 GLN A 50 8.441 -8.320 28.904 1.00 0.00 O ATOM 751 NE2 GLN A 50 6.537 -7.366 29.381 1.00 0.00 N ATOM 0 H GLN A 50 8.903 -3.156 28.027 1.00 0.00 H new ATOM 0 HA GLN A 50 9.639 -5.908 28.598 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.284 -4.967 28.236 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.673 -4.807 26.535 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.618 -6.959 26.721 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.328 -7.313 26.578 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.784 -6.736 29.106 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.503 -7.838 30.285 1.00 0.00 H new ATOM 760 N LEU A 51 10.180 -4.716 25.554 1.00 0.00 N ATOM 761 CA LEU A 51 11.024 -4.949 24.348 1.00 0.00 C ATOM 762 C LEU A 51 12.502 -4.843 24.730 1.00 0.00 C ATOM 763 O LEU A 51 13.315 -5.656 24.334 1.00 0.00 O ATOM 764 CB LEU A 51 10.694 -3.899 23.285 1.00 0.00 C ATOM 765 CG LEU A 51 9.329 -4.207 22.670 1.00 0.00 C ATOM 766 CD1 LEU A 51 8.732 -2.927 22.083 1.00 0.00 C ATOM 767 CD2 LEU A 51 9.494 -5.247 21.559 1.00 0.00 C ATOM 0 H LEU A 51 9.586 -3.888 25.515 1.00 0.00 H new ATOM 0 HA LEU A 51 10.823 -5.944 23.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.688 -2.904 23.731 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.461 -3.896 22.511 1.00 0.00 H new ATOM 0 HG LEU A 51 8.664 -4.598 23.440 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.759 -3.147 21.645 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.615 -2.185 22.873 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.397 -2.535 21.313 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.521 -5.468 21.120 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.159 -4.855 20.790 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.919 -6.160 21.976 1.00 0.00 H new ATOM 779 N ALA A 52 12.857 -3.848 25.496 1.00 0.00 N ATOM 780 CA ALA A 52 14.275 -3.714 25.935 1.00 0.00 C ATOM 781 C ALA A 52 14.753 -5.037 26.535 1.00 0.00 C ATOM 782 O ALA A 52 15.861 -5.474 26.297 1.00 0.00 O ATOM 783 CB ALA A 52 14.379 -2.610 26.989 1.00 0.00 C ATOM 0 H ALA A 52 12.227 -3.122 25.837 1.00 0.00 H new ATOM 0 HA ALA A 52 14.897 -3.460 25.077 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.416 -2.511 27.311 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.040 -1.666 26.562 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.756 -2.865 27.846 1.00 0.00 H new ATOM 789 N ARG A 53 13.926 -5.678 27.315 1.00 0.00 N ATOM 790 CA ARG A 53 14.330 -6.977 27.924 1.00 0.00 C ATOM 791 C ARG A 53 14.491 -8.031 26.828 1.00 0.00 C ATOM 792 O ARG A 53 15.384 -8.853 26.870 1.00 0.00 O ATOM 793 CB ARG A 53 13.257 -7.428 28.915 1.00 0.00 C ATOM 794 CG ARG A 53 13.688 -8.742 29.570 1.00 0.00 C ATOM 795 CD ARG A 53 12.595 -9.222 30.526 1.00 0.00 C ATOM 796 NE ARG A 53 13.222 -9.769 31.762 1.00 0.00 N ATOM 797 CZ ARG A 53 14.175 -10.657 31.671 1.00 0.00 C ATOM 798 NH1 ARG A 53 14.582 -11.058 30.497 1.00 0.00 N ATOM 799 NH2 ARG A 53 14.721 -11.142 32.752 1.00 0.00 N ATOM 0 H ARG A 53 12.988 -5.358 27.557 1.00 0.00 H new ATOM 0 HA ARG A 53 15.279 -6.854 28.446 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.105 -6.663 29.676 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.305 -7.560 28.401 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.874 -9.497 28.806 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.623 -8.600 30.112 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.929 -8.397 30.778 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.986 -9.987 30.045 1.00 0.00 H new ATOM 0 HE ARG A 53 12.907 -9.450 32.678 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.156 -10.678 29.652 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.326 -11.752 30.425 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.403 -10.828 33.669 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.465 -11.836 32.680 1.00 0.00 H new ATOM 813 N TYR A 54 13.632 -8.016 25.845 1.00 0.00 N ATOM 814 CA TYR A 54 13.733 -9.026 24.754 1.00 0.00 C ATOM 815 C TYR A 54 15.051 -8.835 24.002 1.00 0.00 C ATOM 816 O TYR A 54 15.815 -9.762 23.824 1.00 0.00 O ATOM 817 CB TYR A 54 12.563 -8.849 23.785 1.00 0.00 C ATOM 818 CG TYR A 54 12.539 -10.000 22.809 1.00 0.00 C ATOM 819 CD1 TYR A 54 12.121 -11.267 23.230 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.936 -9.800 21.481 1.00 0.00 C ATOM 821 CE1 TYR A 54 12.099 -12.335 22.325 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.915 -10.867 20.575 1.00 0.00 C ATOM 823 CZ TYR A 54 12.497 -12.135 20.997 1.00 0.00 C ATOM 824 OH TYR A 54 12.476 -13.187 20.105 1.00 0.00 O ATOM 0 H TYR A 54 12.866 -7.349 25.751 1.00 0.00 H new ATOM 0 HA TYR A 54 13.701 -10.028 25.183 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.624 -8.806 24.336 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.661 -7.905 23.248 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.815 -11.421 24.254 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.259 -8.822 21.156 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.775 -13.313 22.651 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.221 -10.712 19.551 1.00 0.00 H new ATOM 0 HH TYR A 54 12.781 -12.877 19.227 1.00 0.00 H new ATOM 834 N LEU A 55 15.323 -7.639 23.556 1.00 0.00 N ATOM 835 CA LEU A 55 16.593 -7.389 22.818 1.00 0.00 C ATOM 836 C LEU A 55 17.783 -7.642 23.746 1.00 0.00 C ATOM 837 O LEU A 55 18.883 -7.906 23.303 1.00 0.00 O ATOM 838 CB LEU A 55 16.624 -5.939 22.332 1.00 0.00 C ATOM 839 CG LEU A 55 15.484 -5.710 21.338 1.00 0.00 C ATOM 840 CD1 LEU A 55 15.459 -4.238 20.919 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.703 -6.586 20.103 1.00 0.00 C ATOM 0 H LEU A 55 14.720 -6.824 23.671 1.00 0.00 H new ATOM 0 HA LEU A 55 16.652 -8.061 21.962 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.525 -5.259 23.178 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.582 -5.723 21.859 1.00 0.00 H new ATOM 0 HG LEU A 55 14.535 -5.970 21.807 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.647 -4.075 20.211 1.00 0.00 H new ATOM 0 HD12 LEU A 55 15.305 -3.612 21.798 1.00 0.00 H new ATOM 0 HD13 LEU A 55 16.407 -3.977 20.449 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.891 -6.424 19.394 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.652 -6.324 19.635 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.722 -7.635 20.400 1.00 0.00 H new ATOM 853 N GLY A 56 17.574 -7.561 25.031 1.00 0.00 N ATOM 854 CA GLY A 56 18.690 -7.817 25.986 1.00 0.00 C ATOM 855 C GLY A 56 19.754 -6.729 25.830 1.00 0.00 C ATOM 856 O GLY A 56 19.450 -5.557 25.743 1.00 0.00 O ATOM 0 H GLY A 56 16.679 -7.329 25.462 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.313 -7.828 27.009 1.00 0.00 H new ATOM 0 HA3 GLY A 56 19.127 -8.798 25.797 1.00 0.00 H new ATOM 860 N ASN A 57 21.003 -7.109 25.796 1.00 0.00 N ATOM 861 CA ASN A 57 22.086 -6.096 25.654 1.00 0.00 C ATOM 862 C ASN A 57 22.588 -6.083 24.209 1.00 0.00 C ATOM 863 O ASN A 57 23.754 -5.861 23.948 1.00 0.00 O ATOM 864 CB ASN A 57 23.242 -6.451 26.592 1.00 0.00 C ATOM 865 CG ASN A 57 24.349 -5.404 26.458 1.00 0.00 C ATOM 866 OD1 ASN A 57 25.321 -5.616 25.760 1.00 0.00 O ATOM 867 ND2 ASN A 57 24.242 -4.273 27.101 1.00 0.00 N ATOM 0 H ASN A 57 21.319 -8.077 25.860 1.00 0.00 H new ATOM 0 HA ASN A 57 21.697 -5.111 25.912 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.889 -6.492 27.622 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.631 -7.440 26.349 1.00 0.00 H new ATOM 0 HD21 ASN A 57 24.974 -3.568 27.017 1.00 0.00 H new ATOM 0 HD22 ASN A 57 23.426 -4.095 27.687 1.00 0.00 H new ATOM 874 N ALA A 58 21.716 -6.320 23.267 1.00 0.00 N ATOM 875 CA ALA A 58 22.145 -6.321 21.840 1.00 0.00 C ATOM 876 C ALA A 58 21.716 -5.008 21.179 1.00 0.00 C ATOM 877 O ALA A 58 22.277 -4.590 20.186 1.00 0.00 O ATOM 878 CB ALA A 58 21.491 -7.496 21.111 1.00 0.00 C ATOM 0 H ALA A 58 20.727 -6.513 23.424 1.00 0.00 H new ATOM 0 HA ALA A 58 23.229 -6.419 21.786 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.805 -7.497 20.067 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.795 -8.431 21.582 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.407 -7.399 21.164 1.00 0.00 H new ATOM 884 N VAL A 59 20.725 -4.357 21.722 1.00 0.00 N ATOM 885 CA VAL A 59 20.258 -3.075 21.122 1.00 0.00 C ATOM 886 C VAL A 59 19.883 -2.096 22.237 1.00 0.00 C ATOM 887 O VAL A 59 19.347 -2.479 23.258 1.00 0.00 O ATOM 888 CB VAL A 59 19.034 -3.341 20.244 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.535 -2.022 19.649 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.417 -4.296 19.112 1.00 0.00 C ATOM 0 H VAL A 59 20.218 -4.657 22.555 1.00 0.00 H new ATOM 0 HA VAL A 59 21.055 -2.646 20.515 1.00 0.00 H new ATOM 0 HB VAL A 59 18.245 -3.789 20.848 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.663 -2.212 19.023 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.262 -1.340 20.454 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.324 -1.574 19.045 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.545 -4.486 18.486 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.206 -3.847 18.509 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.773 -5.236 19.534 1.00 0.00 H new ATOM 900 N ASP A 60 20.162 -0.835 22.050 1.00 0.00 N ATOM 901 CA ASP A 60 19.819 0.167 23.099 1.00 0.00 C ATOM 902 C ASP A 60 18.547 0.915 22.694 1.00 0.00 C ATOM 903 O ASP A 60 18.501 1.574 21.675 1.00 0.00 O ATOM 904 CB ASP A 60 20.971 1.163 23.249 1.00 0.00 C ATOM 905 CG ASP A 60 20.667 2.124 24.398 1.00 0.00 C ATOM 906 OD1 ASP A 60 19.535 2.138 24.851 1.00 0.00 O ATOM 907 OD2 ASP A 60 21.574 2.832 24.807 1.00 0.00 O ATOM 0 H ASP A 60 20.612 -0.455 21.217 1.00 0.00 H new ATOM 0 HA ASP A 60 19.654 -0.343 24.048 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.903 0.631 23.442 1.00 0.00 H new ATOM 0 HB3 ASP A 60 21.108 1.719 22.322 1.00 0.00 H new ATOM 912 N LEU A 61 17.514 0.817 23.485 1.00 0.00 N ATOM 913 CA LEU A 61 16.248 1.530 23.149 1.00 0.00 C ATOM 914 C LEU A 61 16.071 2.723 24.091 1.00 0.00 C ATOM 915 O LEU A 61 14.988 3.252 24.242 1.00 0.00 O ATOM 916 CB LEU A 61 15.065 0.574 23.310 1.00 0.00 C ATOM 917 CG LEU A 61 15.171 -0.548 22.275 1.00 0.00 C ATOM 918 CD1 LEU A 61 14.026 -1.541 22.479 1.00 0.00 C ATOM 919 CD2 LEU A 61 15.082 0.048 20.868 1.00 0.00 C ATOM 0 H LEU A 61 17.491 0.275 24.349 1.00 0.00 H new ATOM 0 HA LEU A 61 16.292 1.882 22.118 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.056 0.155 24.316 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.127 1.114 23.182 1.00 0.00 H new ATOM 0 HG LEU A 61 16.124 -1.063 22.394 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.102 -2.340 21.742 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.086 -1.965 23.481 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.073 -1.026 22.360 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.157 -0.750 20.129 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.128 0.562 20.750 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.897 0.757 20.721 1.00 0.00 H new ATOM 931 N SER A 62 17.128 3.152 24.724 1.00 0.00 N ATOM 932 CA SER A 62 17.016 4.299 25.669 1.00 0.00 C ATOM 933 C SER A 62 16.404 5.500 24.944 1.00 0.00 C ATOM 934 O SER A 62 15.549 6.185 25.470 1.00 0.00 O ATOM 935 CB SER A 62 18.405 4.670 26.187 1.00 0.00 C ATOM 936 OG SER A 62 18.927 3.590 26.950 1.00 0.00 O ATOM 0 H SER A 62 18.064 2.758 24.628 1.00 0.00 H new ATOM 0 HA SER A 62 16.379 4.018 26.507 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.069 4.894 25.352 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.349 5.569 26.800 1.00 0.00 H new ATOM 0 HG SER A 62 19.011 2.797 26.380 1.00 0.00 H new ATOM 942 N CYS A 63 16.835 5.759 23.740 1.00 0.00 N ATOM 943 CA CYS A 63 16.276 6.913 22.981 1.00 0.00 C ATOM 944 C CYS A 63 15.003 6.475 22.253 1.00 0.00 C ATOM 945 O CYS A 63 14.686 6.964 21.187 1.00 0.00 O ATOM 946 CB CYS A 63 17.306 7.399 21.960 1.00 0.00 C ATOM 947 SG CYS A 63 18.718 8.125 22.827 1.00 0.00 S ATOM 0 H CYS A 63 17.550 5.222 23.249 1.00 0.00 H new ATOM 0 HA CYS A 63 16.040 7.723 23.672 1.00 0.00 H new ATOM 0 HB2 CYS A 63 17.636 6.568 21.337 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.855 8.136 21.295 1.00 0.00 H new ATOM 0 HG CYS A 63 19.595 8.536 21.960 1.00 0.00 H new ATOM 953 N PHE A 64 14.270 5.556 22.821 1.00 0.00 N ATOM 954 CA PHE A 64 13.018 5.089 22.162 1.00 0.00 C ATOM 955 C PHE A 64 11.808 5.575 22.964 1.00 0.00 C ATOM 956 O PHE A 64 11.685 5.307 24.142 1.00 0.00 O ATOM 957 CB PHE A 64 13.012 3.561 22.103 1.00 0.00 C ATOM 958 CG PHE A 64 11.774 3.090 21.377 1.00 0.00 C ATOM 959 CD1 PHE A 64 11.639 3.319 20.003 1.00 0.00 C ATOM 960 CD2 PHE A 64 10.762 2.424 22.078 1.00 0.00 C ATOM 961 CE1 PHE A 64 10.492 2.883 19.329 1.00 0.00 C ATOM 962 CE2 PHE A 64 9.615 1.986 21.405 1.00 0.00 C ATOM 963 CZ PHE A 64 9.480 2.217 20.031 1.00 0.00 C ATOM 0 H PHE A 64 14.484 5.109 23.712 1.00 0.00 H new ATOM 0 HA PHE A 64 12.968 5.491 21.150 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.905 3.203 21.591 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.035 3.147 23.111 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.420 3.832 19.462 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.866 2.248 23.138 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.388 3.060 18.269 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.835 1.470 21.946 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.594 1.881 19.512 1.00 0.00 H new ATOM 973 N ASP A 65 10.914 6.286 22.335 1.00 0.00 N ATOM 974 CA ASP A 65 9.700 6.765 23.055 1.00 0.00 C ATOM 975 C ASP A 65 8.645 5.657 23.069 1.00 0.00 C ATOM 976 O ASP A 65 8.856 4.578 22.552 1.00 0.00 O ATOM 977 CB ASP A 65 9.138 7.997 22.345 1.00 0.00 C ATOM 978 CG ASP A 65 9.992 9.219 22.689 1.00 0.00 C ATOM 979 OD1 ASP A 65 11.090 9.029 23.184 1.00 0.00 O ATOM 980 OD2 ASP A 65 9.532 10.324 22.454 1.00 0.00 O ATOM 0 H ASP A 65 10.971 6.556 21.353 1.00 0.00 H new ATOM 0 HA ASP A 65 9.965 7.027 24.079 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.131 7.837 21.267 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.105 8.165 22.649 1.00 0.00 H new ATOM 985 N PHE A 66 7.507 5.917 23.654 1.00 0.00 N ATOM 986 CA PHE A 66 6.439 4.878 23.700 1.00 0.00 C ATOM 987 C PHE A 66 5.203 5.386 22.955 1.00 0.00 C ATOM 988 O PHE A 66 4.713 4.752 22.041 1.00 0.00 O ATOM 989 CB PHE A 66 6.074 4.587 25.157 1.00 0.00 C ATOM 990 CG PHE A 66 5.106 3.429 25.210 1.00 0.00 C ATOM 991 CD1 PHE A 66 5.588 2.114 25.216 1.00 0.00 C ATOM 992 CD2 PHE A 66 3.728 3.671 25.256 1.00 0.00 C ATOM 993 CE1 PHE A 66 4.690 1.041 25.267 1.00 0.00 C ATOM 994 CE2 PHE A 66 2.830 2.597 25.306 1.00 0.00 C ATOM 995 CZ PHE A 66 3.312 1.282 25.312 1.00 0.00 C ATOM 0 H PHE A 66 7.271 6.803 24.101 1.00 0.00 H new ATOM 0 HA PHE A 66 6.798 3.964 23.227 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.972 4.351 25.728 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.628 5.470 25.615 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.651 1.928 25.181 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.357 4.685 25.253 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.061 0.027 25.272 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.767 2.783 25.340 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.620 0.454 25.351 1.00 0.00 H new ATOM 1005 N ARG A 67 4.694 6.525 23.338 1.00 0.00 N ATOM 1006 CA ARG A 67 3.478 7.062 22.663 1.00 0.00 C ATOM 1007 C ARG A 67 3.704 7.083 21.150 1.00 0.00 C ATOM 1008 O ARG A 67 2.846 6.697 20.380 1.00 0.00 O ATOM 1009 CB ARG A 67 3.207 8.484 23.159 1.00 0.00 C ATOM 1010 CG ARG A 67 2.130 8.450 24.245 1.00 0.00 C ATOM 1011 CD ARG A 67 2.692 7.776 25.499 1.00 0.00 C ATOM 1012 NE ARG A 67 1.671 6.848 26.062 1.00 0.00 N ATOM 1013 CZ ARG A 67 0.450 7.263 26.260 1.00 0.00 C ATOM 1014 NH1 ARG A 67 0.122 8.491 25.964 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -0.444 6.450 26.754 1.00 0.00 N ATOM 0 H ARG A 67 5.067 7.107 24.088 1.00 0.00 H new ATOM 0 HA ARG A 67 2.622 6.428 22.894 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.123 8.923 23.554 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.883 9.114 22.330 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.802 9.463 24.479 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.255 7.907 23.888 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.602 7.228 25.254 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.963 8.529 26.239 1.00 0.00 H new ATOM 0 HE ARG A 67 1.927 5.888 26.293 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.820 9.126 25.578 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.833 8.815 26.119 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.188 5.490 26.985 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.398 6.775 26.909 1.00 0.00 H new ATOM 1029 N THR A 68 4.851 7.530 20.717 1.00 0.00 N ATOM 1030 CA THR A 68 5.118 7.603 19.253 1.00 0.00 C ATOM 1031 C THR A 68 6.221 6.608 18.886 1.00 0.00 C ATOM 1032 O THR A 68 6.743 6.622 17.789 1.00 0.00 O ATOM 1033 CB THR A 68 5.564 9.019 18.885 1.00 0.00 C ATOM 1034 OG1 THR A 68 6.714 9.363 19.645 1.00 0.00 O ATOM 1035 CG2 THR A 68 4.436 10.007 19.187 1.00 0.00 C ATOM 0 H THR A 68 5.615 7.848 21.314 1.00 0.00 H new ATOM 0 HA THR A 68 4.209 7.356 18.705 1.00 0.00 H new ATOM 0 HB THR A 68 5.804 9.060 17.823 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.003 10.269 19.410 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.756 11.015 18.924 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.554 9.742 18.603 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.193 9.969 20.249 1.00 0.00 H new ATOM 1043 N GLY A 69 6.580 5.744 19.796 1.00 0.00 N ATOM 1044 CA GLY A 69 7.654 4.754 19.500 1.00 0.00 C ATOM 1045 C GLY A 69 8.645 5.357 18.504 1.00 0.00 C ATOM 1046 O GLY A 69 9.018 4.733 17.529 1.00 0.00 O ATOM 0 H GLY A 69 6.176 5.681 20.731 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.170 4.476 20.419 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.220 3.842 19.090 1.00 0.00 H new ATOM 1050 N LYS A 70 9.077 6.565 18.739 1.00 0.00 N ATOM 1051 CA LYS A 70 10.033 7.211 17.796 1.00 0.00 C ATOM 1052 C LYS A 70 11.437 7.195 18.403 1.00 0.00 C ATOM 1053 O LYS A 70 11.622 6.865 19.558 1.00 0.00 O ATOM 1054 CB LYS A 70 9.603 8.659 17.546 1.00 0.00 C ATOM 1055 CG LYS A 70 10.012 9.075 16.132 1.00 0.00 C ATOM 1056 CD LYS A 70 8.893 8.720 15.151 1.00 0.00 C ATOM 1057 CE LYS A 70 9.217 9.301 13.774 1.00 0.00 C ATOM 1058 NZ LYS A 70 10.388 8.583 13.195 1.00 0.00 N ATOM 0 H LYS A 70 8.810 7.133 19.543 1.00 0.00 H new ATOM 0 HA LYS A 70 10.038 6.665 16.853 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.524 8.755 17.667 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.066 9.319 18.279 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.212 10.146 16.100 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.935 8.570 15.846 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.784 7.638 15.084 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.942 9.115 15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.355 9.204 13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.435 10.366 13.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.176 9.250 13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.681 7.821 13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.126 8.177 12.274 1.00 0.00 H new ATOM 1072 N MET A 71 12.430 7.549 17.634 1.00 0.00 N ATOM 1073 CA MET A 71 13.821 7.562 18.170 1.00 0.00 C ATOM 1074 C MET A 71 14.214 8.996 18.532 1.00 0.00 C ATOM 1075 O MET A 71 13.885 9.935 17.835 1.00 0.00 O ATOM 1076 CB MET A 71 14.782 7.023 17.109 1.00 0.00 C ATOM 1077 CG MET A 71 16.203 6.996 17.675 1.00 0.00 C ATOM 1078 SD MET A 71 16.271 5.859 19.081 1.00 0.00 S ATOM 1079 CE MET A 71 16.914 4.425 18.184 1.00 0.00 C ATOM 0 H MET A 71 12.338 7.830 16.658 1.00 0.00 H new ATOM 0 HA MET A 71 13.873 6.934 19.060 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.481 6.020 16.806 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.746 7.650 16.218 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.907 6.681 16.905 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.500 7.997 17.988 1.00 0.00 H new ATOM 0 HE1 MET A 71 16.836 3.538 18.812 1.00 0.00 H new ATOM 0 HE2 MET A 71 16.335 4.276 17.273 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.959 4.596 17.926 1.00 0.00 H new