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 Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -151:sc= -1.73 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= -12.6! (180deg=-14.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 36:sc= 0.0183 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -136:sc= -0.0176 (180deg=-0.472) USER MOD Single : A 33 SER OG : rot 31:sc= 0.479 USER MOD Single : A 36 TYR OH : rot 80:sc= 0.108 USER MOD Single : A 37 TYR OH : rot 155:sc= 1.08 USER MOD Single : A 39 SER OG : rot -113:sc= -0.174! USER MOD Single : A 41 SER OG : rot 32:sc= 0.948! 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 72:sc= 0.304 USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= -0.204 (180deg=-0.885) USER MOD Single : A 50 GLN : amide:sc= 0.415 K(o=0.42,f=-6.4!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00364 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 150:sc= 0 (180deg=-0.276) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.140 0.359 12.077 1.00 0.00 N ATOM 53 CA GLY A 6 -3.209 1.522 12.097 1.00 0.00 C ATOM 54 C GLY A 6 -1.798 1.040 12.440 1.00 0.00 C ATOM 55 O GLY A 6 -1.094 1.654 13.218 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.209 2.018 11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.543 2.256 12.831 1.00 0.00 H new ATOM 59 N ARG A 7 -1.379 -0.054 11.867 1.00 0.00 N ATOM 60 CA ARG A 7 -0.009 -0.567 12.153 1.00 0.00 C ATOM 61 C ARG A 7 0.999 0.135 11.244 1.00 0.00 C ATOM 62 O ARG A 7 0.719 0.430 10.099 1.00 0.00 O ATOM 63 CB ARG A 7 0.034 -2.075 11.893 1.00 0.00 C ATOM 64 CG ARG A 7 -0.774 -2.802 12.969 1.00 0.00 C ATOM 65 CD ARG A 7 -0.731 -4.309 12.710 1.00 0.00 C ATOM 66 NE ARG A 7 -1.521 -5.017 13.758 1.00 0.00 N ATOM 67 CZ ARG A 7 -1.869 -6.262 13.583 1.00 0.00 C ATOM 68 NH1 ARG A 7 -1.525 -6.888 12.490 1.00 0.00 N ATOM 69 NH2 ARG A 7 -2.561 -6.881 14.500 1.00 0.00 N ATOM 0 H ARG A 7 -1.925 -0.615 11.213 1.00 0.00 H new ATOM 0 HA ARG A 7 0.243 -0.369 13.195 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.373 -2.296 10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.066 -2.426 11.899 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.367 -2.580 13.956 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.806 -2.451 12.963 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.136 -4.531 11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.301 -4.661 12.718 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.789 -4.528 14.612 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.984 -6.404 11.773 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.797 -7.861 12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.830 -6.391 15.353 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.833 -7.854 14.363 1.00 0.00 H new ATOM 83 N THR A 8 2.175 0.406 11.743 1.00 0.00 N ATOM 84 CA THR A 8 3.197 1.101 10.912 1.00 0.00 C ATOM 85 C THR A 8 4.580 0.522 11.215 1.00 0.00 C ATOM 86 O THR A 8 4.835 0.036 12.300 1.00 0.00 O ATOM 87 CB THR A 8 3.187 2.597 11.237 1.00 0.00 C ATOM 88 OG1 THR A 8 3.898 2.822 12.445 1.00 0.00 O ATOM 89 CG2 THR A 8 1.744 3.077 11.393 1.00 0.00 C ATOM 0 H THR A 8 2.471 0.175 12.691 1.00 0.00 H new ATOM 0 HA THR A 8 2.967 0.957 9.856 1.00 0.00 H new ATOM 0 HB THR A 8 3.664 3.149 10.427 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.894 3.780 12.653 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.738 4.142 11.624 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.201 2.904 10.464 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.263 2.527 12.202 1.00 0.00 H new ATOM 97 N ASP A 9 5.474 0.570 10.267 1.00 0.00 N ATOM 98 CA ASP A 9 6.845 0.034 10.509 1.00 0.00 C ATOM 99 C ASP A 9 7.617 0.997 11.413 1.00 0.00 C ATOM 100 O ASP A 9 7.335 2.178 11.463 1.00 0.00 O ATOM 101 CB ASP A 9 7.578 -0.110 9.174 1.00 0.00 C ATOM 102 CG ASP A 9 7.026 -1.318 8.415 1.00 0.00 C ATOM 103 OD1 ASP A 9 6.238 -2.047 8.995 1.00 0.00 O ATOM 104 OD2 ASP A 9 7.399 -1.493 7.267 1.00 0.00 O ATOM 0 H ASP A 9 5.316 0.956 9.336 1.00 0.00 H new ATOM 0 HA ASP A 9 6.774 -0.940 10.993 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.453 0.795 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.647 -0.233 9.346 1.00 0.00 H new ATOM 109 N CYS A 10 8.589 0.502 12.129 1.00 0.00 N ATOM 110 CA CYS A 10 9.375 1.388 13.033 1.00 0.00 C ATOM 111 C CYS A 10 10.824 1.456 12.545 1.00 0.00 C ATOM 112 O CYS A 10 11.444 0.448 12.270 1.00 0.00 O ATOM 113 CB CYS A 10 9.342 0.827 14.455 1.00 0.00 C ATOM 114 SG CYS A 10 9.601 2.169 15.641 1.00 0.00 S ATOM 0 H CYS A 10 8.873 -0.478 12.127 1.00 0.00 H new ATOM 0 HA CYS A 10 8.941 2.388 13.028 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.385 0.341 14.643 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.114 0.067 14.575 1.00 0.00 H new ATOM 0 HG CYS A 10 10.168 1.698 16.712 1.00 0.00 H new ATOM 120 N PRO A 11 11.355 2.644 12.439 1.00 0.00 N ATOM 121 CA PRO A 11 12.750 2.865 11.962 1.00 0.00 C ATOM 122 C PRO A 11 13.793 2.431 12.997 1.00 0.00 C ATOM 123 O PRO A 11 14.927 2.146 12.668 1.00 0.00 O ATOM 124 CB PRO A 11 12.823 4.375 11.733 1.00 0.00 C ATOM 125 CG PRO A 11 11.787 4.965 12.633 1.00 0.00 C ATOM 126 CD PRO A 11 10.678 3.908 12.764 1.00 0.00 C ATOM 0 HA PRO A 11 12.969 2.278 11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.815 4.761 11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.625 4.624 10.690 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.211 5.207 13.608 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.393 5.893 12.217 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.260 3.890 13.770 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.853 4.107 12.080 1.00 0.00 H new ATOM 134 N ALA A 12 13.417 2.377 14.246 1.00 0.00 N ATOM 135 CA ALA A 12 14.391 1.979 15.301 1.00 0.00 C ATOM 136 C ALA A 12 14.510 0.454 15.337 1.00 0.00 C ATOM 137 O ALA A 12 15.536 -0.089 15.696 1.00 0.00 O ATOM 138 CB ALA A 12 13.905 2.486 16.660 1.00 0.00 C ATOM 0 H ALA A 12 12.478 2.591 14.581 1.00 0.00 H new ATOM 0 HA ALA A 12 15.366 2.413 15.079 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.617 2.195 17.433 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.821 3.572 16.634 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.930 2.052 16.883 1.00 0.00 H new ATOM 144 N LEU A 13 13.469 -0.240 14.968 1.00 0.00 N ATOM 145 CA LEU A 13 13.524 -1.729 14.984 1.00 0.00 C ATOM 146 C LEU A 13 13.720 -2.249 13.559 1.00 0.00 C ATOM 147 O LEU A 13 13.327 -1.616 12.598 1.00 0.00 O ATOM 148 CB LEU A 13 12.214 -2.282 15.552 1.00 0.00 C ATOM 149 CG LEU A 13 12.258 -2.230 17.080 1.00 0.00 C ATOM 150 CD1 LEU A 13 13.159 -3.351 17.603 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.818 -0.878 17.528 1.00 0.00 C ATOM 0 H LEU A 13 12.583 0.159 14.656 1.00 0.00 H new ATOM 0 HA LEU A 13 14.357 -2.054 15.607 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.370 -1.700 15.182 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.064 -3.308 15.217 1.00 0.00 H new ATOM 0 HG LEU A 13 11.251 -2.357 17.477 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.191 -3.314 18.692 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.763 -4.315 17.284 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.166 -3.223 17.206 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.850 -0.840 18.617 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.825 -0.752 17.131 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.178 -0.078 17.156 1.00 0.00 H new ATOM 163 N PRO A 14 14.327 -3.397 13.427 1.00 0.00 N ATOM 164 CA PRO A 14 14.594 -4.022 12.100 1.00 0.00 C ATOM 165 C PRO A 14 13.302 -4.360 11.349 1.00 0.00 C ATOM 166 O PRO A 14 12.228 -4.362 11.915 1.00 0.00 O ATOM 167 CB PRO A 14 15.361 -5.302 12.442 1.00 0.00 C ATOM 168 CG PRO A 14 15.065 -5.574 13.881 1.00 0.00 C ATOM 169 CD PRO A 14 14.825 -4.224 14.536 1.00 0.00 C ATOM 0 HA PRO A 14 15.144 -3.349 11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.040 -6.132 11.812 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.431 -5.173 12.279 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.189 -6.215 13.982 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.897 -6.093 14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.098 -4.293 15.345 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.741 -3.815 14.964 1.00 0.00 H new ATOM 177 N PRO A 15 13.415 -4.644 10.080 1.00 0.00 N ATOM 178 CA PRO A 15 12.247 -4.988 9.222 1.00 0.00 C ATOM 179 C PRO A 15 11.388 -6.100 9.832 1.00 0.00 C ATOM 180 O PRO A 15 11.877 -7.158 10.177 1.00 0.00 O ATOM 181 CB PRO A 15 12.884 -5.462 7.915 1.00 0.00 C ATOM 182 CG PRO A 15 14.234 -4.826 7.877 1.00 0.00 C ATOM 183 CD PRO A 15 14.677 -4.666 9.324 1.00 0.00 C ATOM 0 HA PRO A 15 11.573 -4.140 9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.961 -6.549 7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.285 -5.163 7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 15 14.939 -5.445 7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.194 -3.860 7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.317 -5.490 9.639 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.245 -3.747 9.469 1.00 0.00 H new ATOM 191 N GLY A 16 10.111 -5.868 9.970 1.00 0.00 N ATOM 192 CA GLY A 16 9.220 -6.916 10.542 1.00 0.00 C ATOM 193 C GLY A 16 8.517 -6.367 11.784 1.00 0.00 C ATOM 194 O GLY A 16 7.371 -6.676 12.048 1.00 0.00 O ATOM 0 H GLY A 16 9.647 -4.998 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.483 -7.225 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.802 -7.801 10.802 1.00 0.00 H new ATOM 198 N TRP A 17 9.192 -5.553 12.549 1.00 0.00 N ATOM 199 CA TRP A 17 8.565 -4.996 13.781 1.00 0.00 C ATOM 200 C TRP A 17 7.431 -4.046 13.391 1.00 0.00 C ATOM 201 O TRP A 17 7.540 -3.289 12.447 1.00 0.00 O ATOM 202 CB TRP A 17 9.616 -4.232 14.587 1.00 0.00 C ATOM 203 CG TRP A 17 10.501 -5.203 15.302 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.566 -5.830 14.755 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.413 -5.667 16.680 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.140 -6.650 15.710 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.465 -6.584 16.913 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.533 -5.384 17.740 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.637 -7.200 18.153 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.703 -6.001 18.990 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.753 -6.907 19.196 1.00 0.00 C ATOM 0 H TRP A 17 10.150 -5.250 12.374 1.00 0.00 H new ATOM 0 HA TRP A 17 8.165 -5.810 14.385 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.210 -3.602 13.925 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.130 -3.571 15.304 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.912 -5.710 13.739 1.00 0.00 H new ATOM 0 HE1 TRP A 17 12.961 -7.232 15.546 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.721 -4.687 17.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.447 -7.898 18.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.021 -5.776 19.797 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.879 -7.378 20.160 1.00 0.00 H new ATOM 222 N LYS A 18 6.343 -4.079 14.110 1.00 0.00 N ATOM 223 CA LYS A 18 5.194 -3.195 13.763 1.00 0.00 C ATOM 224 C LYS A 18 4.755 -2.420 15.006 1.00 0.00 C ATOM 225 O LYS A 18 4.966 -2.848 16.124 1.00 0.00 O ATOM 226 CB LYS A 18 4.029 -4.048 13.256 1.00 0.00 C ATOM 227 CG LYS A 18 4.405 -4.678 11.913 1.00 0.00 C ATOM 228 CD LYS A 18 3.220 -5.485 11.379 1.00 0.00 C ATOM 229 CE LYS A 18 3.569 -6.055 10.002 1.00 0.00 C ATOM 230 NZ LYS A 18 4.330 -7.325 10.169 1.00 0.00 N ATOM 0 H LYS A 18 6.200 -4.679 14.922 1.00 0.00 H new ATOM 0 HA LYS A 18 5.496 -2.494 12.985 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.792 -4.826 13.981 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.136 -3.433 13.144 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.681 -3.902 11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.274 -5.324 12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.977 -6.294 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.337 -4.850 11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.659 -6.236 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.162 -5.335 9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.568 -7.713 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.205 -7.138 10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.749 -8.012 10.691 1.00 0.00 H new ATOM 244 N LYS A 19 4.146 -1.281 14.822 1.00 0.00 N ATOM 245 CA LYS A 19 3.691 -0.481 15.995 1.00 0.00 C ATOM 246 C LYS A 19 2.212 -0.127 15.829 1.00 0.00 C ATOM 247 O LYS A 19 1.765 0.230 14.756 1.00 0.00 O ATOM 248 CB LYS A 19 4.516 0.805 16.085 1.00 0.00 C ATOM 249 CG LYS A 19 3.808 1.802 17.005 1.00 0.00 C ATOM 250 CD LYS A 19 4.750 2.966 17.318 1.00 0.00 C ATOM 251 CE LYS A 19 3.929 4.195 17.716 1.00 0.00 C ATOM 252 NZ LYS A 19 2.761 3.768 18.536 1.00 0.00 N ATOM 0 H LYS A 19 3.944 -0.870 13.911 1.00 0.00 H new ATOM 0 HA LYS A 19 3.825 -1.064 16.906 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.512 0.584 16.468 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.645 1.237 15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.901 2.173 16.528 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.504 1.308 17.928 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.428 2.692 18.126 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.366 3.193 16.448 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.548 4.892 18.281 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.588 4.722 16.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.881 4.053 18.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.775 2.734 18.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.811 4.218 19.472 1.00 0.00 H new ATOM 266 N GLU A 20 1.447 -0.224 16.882 1.00 0.00 N ATOM 267 CA GLU A 20 -0.006 0.088 16.780 1.00 0.00 C ATOM 268 C GLU A 20 -0.392 1.083 17.876 1.00 0.00 C ATOM 269 O GLU A 20 0.199 1.111 18.938 1.00 0.00 O ATOM 270 CB GLU A 20 -0.817 -1.198 16.951 1.00 0.00 C ATOM 271 CG GLU A 20 -2.306 -0.887 16.796 1.00 0.00 C ATOM 272 CD GLU A 20 -3.115 -2.179 16.922 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.516 -3.240 16.838 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.318 -2.088 17.099 1.00 0.00 O ATOM 0 H GLU A 20 1.766 -0.506 17.809 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.216 0.523 15.803 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.510 -1.936 16.210 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.626 -1.633 17.932 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.620 -0.173 17.558 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.492 -0.422 15.828 1.00 0.00 H new ATOM 281 N GLU A 21 -1.378 1.900 17.629 1.00 0.00 N ATOM 282 CA GLU A 21 -1.805 2.885 18.662 1.00 0.00 C ATOM 283 C GLU A 21 -3.321 2.797 18.856 1.00 0.00 C ATOM 284 O GLU A 21 -4.085 2.959 17.926 1.00 0.00 O ATOM 285 CB GLU A 21 -1.432 4.297 18.207 1.00 0.00 C ATOM 286 CG GLU A 21 -1.817 5.304 19.295 1.00 0.00 C ATOM 287 CD GLU A 21 -1.403 6.710 18.858 1.00 0.00 C ATOM 288 OE1 GLU A 21 -1.086 6.879 17.692 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.410 7.595 19.698 1.00 0.00 O ATOM 0 H GLU A 21 -1.906 1.928 16.757 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.304 2.662 19.604 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.362 4.355 18.006 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.945 4.538 17.276 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.892 5.269 19.474 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.329 5.045 20.234 1.00 0.00 H new ATOM 296 N VAL A 22 -3.761 2.541 20.057 1.00 0.00 N ATOM 297 CA VAL A 22 -5.227 2.445 20.310 1.00 0.00 C ATOM 298 C VAL A 22 -5.669 3.615 21.191 1.00 0.00 C ATOM 299 O VAL A 22 -5.061 3.908 22.202 1.00 0.00 O ATOM 300 CB VAL A 22 -5.536 1.126 21.020 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.967 1.161 21.561 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.396 -0.030 20.029 1.00 0.00 C ATOM 0 H VAL A 22 -3.169 2.394 20.875 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.763 2.481 19.362 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.838 0.985 21.845 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.188 0.221 22.067 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.069 1.986 22.266 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.665 1.301 20.735 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.616 -0.971 20.534 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.095 0.111 19.204 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.378 -0.056 19.641 1.00 0.00 H new ATOM 312 N ILE A 23 -6.724 4.287 20.817 1.00 0.00 N ATOM 313 CA ILE A 23 -7.196 5.443 21.628 1.00 0.00 C ATOM 314 C ILE A 23 -8.400 5.018 22.469 1.00 0.00 C ATOM 315 O ILE A 23 -9.348 4.445 21.969 1.00 0.00 O ATOM 316 CB ILE A 23 -7.603 6.587 20.696 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.392 7.024 19.868 1.00 0.00 C ATOM 318 CG2 ILE A 23 -8.103 7.770 21.529 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.840 8.012 18.790 1.00 0.00 C ATOM 0 H ILE A 23 -7.278 4.085 19.985 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.394 5.778 22.286 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.397 6.249 20.030 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.645 7.487 20.513 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.921 6.156 19.407 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.393 8.585 20.866 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.964 7.460 22.121 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.308 8.108 22.194 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.978 8.323 18.201 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.571 7.533 18.139 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.291 8.885 19.261 1.00 0.00 H new ATOM 331 N ARG A 24 -8.372 5.293 23.744 1.00 0.00 N ATOM 332 CA ARG A 24 -9.511 4.894 24.618 1.00 0.00 C ATOM 333 C ARG A 24 -10.828 5.317 23.963 1.00 0.00 C ATOM 334 O ARG A 24 -11.136 6.488 23.864 1.00 0.00 O ATOM 335 CB ARG A 24 -9.375 5.581 25.979 1.00 0.00 C ATOM 336 CG ARG A 24 -8.697 4.630 26.966 1.00 0.00 C ATOM 337 CD ARG A 24 -7.183 4.664 26.753 1.00 0.00 C ATOM 338 NE ARG A 24 -6.589 3.373 27.199 1.00 0.00 N ATOM 339 CZ ARG A 24 -6.755 2.969 28.428 1.00 0.00 C ATOM 340 NH1 ARG A 24 -7.449 3.693 29.264 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.229 1.842 28.821 1.00 0.00 N ATOM 0 H ARG A 24 -7.610 5.777 24.218 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.503 3.813 24.754 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.791 6.496 25.880 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.358 5.869 26.352 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.937 4.920 27.989 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.072 3.616 26.825 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.957 4.836 25.701 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.745 5.491 27.312 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.052 2.805 26.543 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.861 4.574 28.956 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.579 3.378 30.225 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.688 1.276 28.167 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.359 1.526 29.782 1.00 0.00 H new ATOM 355 N LYS A 25 -11.608 4.371 23.516 1.00 0.00 N ATOM 356 CA LYS A 25 -12.901 4.719 22.862 1.00 0.00 C ATOM 357 C LYS A 25 -14.010 4.761 23.915 1.00 0.00 C ATOM 358 O LYS A 25 -15.055 5.344 23.706 1.00 0.00 O ATOM 359 CB LYS A 25 -13.239 3.663 21.807 1.00 0.00 C ATOM 360 CG LYS A 25 -12.171 3.675 20.712 1.00 0.00 C ATOM 361 CD LYS A 25 -12.507 2.618 19.658 1.00 0.00 C ATOM 362 CE LYS A 25 -12.050 1.244 20.149 1.00 0.00 C ATOM 363 NZ LYS A 25 -12.175 0.254 19.041 1.00 0.00 N ATOM 0 H LYS A 25 -11.406 3.373 23.575 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.816 5.695 22.385 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.291 2.677 22.268 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.219 3.865 21.376 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.120 4.661 20.250 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.190 3.474 21.144 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.580 2.609 19.466 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.017 2.861 18.715 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.017 1.294 20.492 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.654 0.931 21.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.864 -0.681 19.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.167 0.200 18.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.581 0.551 18.241 1.00 0.00 H new ATOM 377 N SER A 26 -13.792 4.147 25.045 1.00 0.00 N ATOM 378 CA SER A 26 -14.849 4.119 26.095 1.00 0.00 C ATOM 379 C SER A 26 -14.463 5.067 27.232 1.00 0.00 C ATOM 380 O SER A 26 -13.346 5.056 27.710 1.00 0.00 O ATOM 381 CB SER A 26 -14.989 2.698 26.640 1.00 0.00 C ATOM 382 OG SER A 26 -13.700 2.187 26.953 1.00 0.00 O ATOM 0 H SER A 26 -12.927 3.663 25.287 1.00 0.00 H new ATOM 0 HA SER A 26 -15.798 4.437 25.664 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.619 2.698 27.529 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.477 2.060 25.903 1.00 0.00 H new ATOM 0 HG SER A 26 -13.137 2.910 27.299 1.00 0.00 H new ATOM 388 N GLY A 27 -15.378 5.886 27.670 1.00 0.00 N ATOM 389 CA GLY A 27 -15.075 6.809 28.801 1.00 0.00 C ATOM 390 C GLY A 27 -15.057 8.251 28.293 1.00 0.00 C ATOM 391 O GLY A 27 -14.577 8.533 27.213 1.00 0.00 O ATOM 0 H GLY A 27 -16.323 5.957 27.294 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.824 6.698 29.585 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.111 6.556 29.242 1.00 0.00 H new ATOM 395 N LEU A 28 -15.576 9.169 29.063 1.00 0.00 N ATOM 396 CA LEU A 28 -15.587 10.592 28.623 1.00 0.00 C ATOM 397 C LEU A 28 -14.152 11.118 28.562 1.00 0.00 C ATOM 398 O LEU A 28 -13.816 11.943 27.735 1.00 0.00 O ATOM 399 CB LEU A 28 -16.395 11.427 29.617 1.00 0.00 C ATOM 400 CG LEU A 28 -16.379 12.894 29.185 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.964 13.019 27.777 1.00 0.00 C ATOM 402 CD2 LEU A 28 -17.219 13.722 30.160 1.00 0.00 C ATOM 0 H LEU A 28 -15.993 8.994 29.977 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.042 10.663 27.635 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.421 11.062 29.664 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.975 11.327 30.618 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.353 13.261 29.186 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.952 14.065 27.470 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.367 12.430 27.081 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.990 12.652 27.775 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -17.208 14.768 29.853 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -18.245 13.354 30.159 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.803 13.635 31.164 1.00 0.00 H new ATOM 414 N SER A 29 -13.301 10.649 29.434 1.00 0.00 N ATOM 415 CA SER A 29 -11.884 11.110 29.414 1.00 0.00 C ATOM 416 C SER A 29 -11.252 10.760 28.067 1.00 0.00 C ATOM 417 O SER A 29 -10.054 10.593 27.956 1.00 0.00 O ATOM 418 CB SER A 29 -11.109 10.420 30.537 1.00 0.00 C ATOM 419 OG SER A 29 -10.007 11.235 30.916 1.00 0.00 O ATOM 0 H SER A 29 -13.526 9.967 30.159 1.00 0.00 H new ATOM 0 HA SER A 29 -11.851 12.190 29.560 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.761 10.249 31.393 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.757 9.443 30.205 1.00 0.00 H new ATOM 0 HG SER A 29 -9.509 10.797 31.637 1.00 0.00 H new ATOM 425 N ALA A 30 -12.049 10.645 27.039 1.00 0.00 N ATOM 426 CA ALA A 30 -11.496 10.273 25.706 1.00 0.00 C ATOM 427 C ALA A 30 -10.270 11.137 25.403 1.00 0.00 C ATOM 428 O ALA A 30 -10.219 12.302 25.745 1.00 0.00 O ATOM 429 CB ALA A 30 -12.560 10.502 24.631 1.00 0.00 C ATOM 0 H ALA A 30 -13.058 10.792 27.065 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.207 9.222 25.713 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.156 10.230 23.656 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.433 9.886 24.847 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.850 11.553 24.624 1.00 0.00 H new ATOM 435 N GLY A 31 -9.280 10.576 24.763 1.00 0.00 N ATOM 436 CA GLY A 31 -8.057 11.365 24.445 1.00 0.00 C ATOM 437 C GLY A 31 -6.819 10.604 24.925 1.00 0.00 C ATOM 438 O GLY A 31 -5.729 10.794 24.424 1.00 0.00 O ATOM 0 H GLY A 31 -9.266 9.606 24.447 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.995 11.542 23.371 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.106 12.342 24.927 1.00 0.00 H new ATOM 442 N LYS A 32 -6.978 9.742 25.893 1.00 0.00 N ATOM 443 CA LYS A 32 -5.820 8.939 26.373 1.00 0.00 C ATOM 444 C LYS A 32 -5.538 7.808 25.382 1.00 0.00 C ATOM 445 O LYS A 32 -6.433 7.111 24.950 1.00 0.00 O ATOM 446 CB LYS A 32 -6.145 8.347 27.746 1.00 0.00 C ATOM 447 CG LYS A 32 -4.954 7.525 28.242 1.00 0.00 C ATOM 448 CD LYS A 32 -5.275 6.937 29.618 1.00 0.00 C ATOM 449 CE LYS A 32 -4.078 6.128 30.120 1.00 0.00 C ATOM 450 NZ LYS A 32 -3.901 4.921 29.264 1.00 0.00 N ATOM 0 H LYS A 32 -7.860 9.560 26.371 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.941 9.579 26.452 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.370 9.145 28.454 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.033 7.718 27.682 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.732 6.725 27.536 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.065 8.153 28.302 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.508 7.736 30.321 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.157 6.300 29.556 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.176 6.740 30.096 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.235 5.832 31.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.716 4.093 29.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.766 4.759 28.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.098 5.067 28.619 1.00 0.00 H new ATOM 464 N SER A 33 -4.298 7.621 25.019 1.00 0.00 N ATOM 465 CA SER A 33 -3.968 6.580 24.005 1.00 0.00 C ATOM 466 C SER A 33 -2.796 5.733 24.506 1.00 0.00 C ATOM 467 O SER A 33 -1.987 6.179 25.294 1.00 0.00 O ATOM 468 CB SER A 33 -3.583 7.255 22.689 1.00 0.00 C ATOM 469 OG SER A 33 -3.364 6.260 21.697 1.00 0.00 O ATOM 0 H SER A 33 -3.500 8.144 25.381 1.00 0.00 H new ATOM 0 HA SER A 33 -4.836 5.940 23.845 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.374 7.934 22.371 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.683 7.854 22.824 1.00 0.00 H new ATOM 0 HG SER A 33 -3.946 5.491 21.871 1.00 0.00 H new ATOM 475 N ASP A 34 -2.699 4.512 24.054 1.00 0.00 N ATOM 476 CA ASP A 34 -1.565 3.647 24.482 1.00 0.00 C ATOM 477 C ASP A 34 -0.867 3.075 23.246 1.00 0.00 C ATOM 478 O ASP A 34 -1.489 2.807 22.239 1.00 0.00 O ATOM 479 CB ASP A 34 -2.094 2.500 25.346 1.00 0.00 C ATOM 480 CG ASP A 34 -0.923 1.796 26.033 1.00 0.00 C ATOM 481 OD1 ASP A 34 0.208 2.128 25.721 1.00 0.00 O ATOM 482 OD2 ASP A 34 -1.178 0.935 26.859 1.00 0.00 O ATOM 0 H ASP A 34 -3.357 4.077 23.407 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.855 4.238 25.060 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.790 2.884 26.092 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.647 1.791 24.729 1.00 0.00 H new ATOM 487 N VAL A 35 0.423 2.886 23.315 1.00 0.00 N ATOM 488 CA VAL A 35 1.164 2.365 22.133 1.00 0.00 C ATOM 489 C VAL A 35 1.566 0.910 22.382 1.00 0.00 C ATOM 490 O VAL A 35 2.121 0.577 23.412 1.00 0.00 O ATOM 491 CB VAL A 35 2.418 3.209 21.904 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.346 2.490 20.922 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.019 4.568 21.324 1.00 0.00 C ATOM 0 H VAL A 35 0.995 3.070 24.139 1.00 0.00 H new ATOM 0 HA VAL A 35 0.525 2.419 21.252 1.00 0.00 H new ATOM 0 HB VAL A 35 2.935 3.355 22.852 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.240 3.092 20.759 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.631 1.521 21.333 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.829 2.344 19.974 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.913 5.170 21.160 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.502 4.421 20.376 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.358 5.082 22.022 1.00 0.00 H new ATOM 503 N TYR A 36 1.293 0.041 21.449 1.00 0.00 N ATOM 504 CA TYR A 36 1.689 -1.386 21.619 1.00 0.00 C ATOM 505 C TYR A 36 2.713 -1.763 20.548 1.00 0.00 C ATOM 506 O TYR A 36 2.671 -1.272 19.436 1.00 0.00 O ATOM 507 CB TYR A 36 0.453 -2.278 21.480 1.00 0.00 C ATOM 508 CG TYR A 36 -0.510 -1.985 22.606 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.294 -2.539 23.874 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.618 -1.160 22.382 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.186 -2.267 24.918 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.511 -0.890 23.426 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.295 -1.442 24.694 1.00 0.00 C ATOM 514 OH TYR A 36 -3.175 -1.175 25.723 1.00 0.00 O ATOM 0 H TYR A 36 0.813 0.257 20.575 1.00 0.00 H new ATOM 0 HA TYR A 36 2.129 -1.526 22.606 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.030 -2.101 20.519 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.745 -3.328 21.501 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.561 -3.176 24.046 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.784 -0.732 21.404 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.019 -2.693 25.896 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.367 -0.255 23.253 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.802 -0.475 26.299 1.00 0.00 H new ATOM 524 N TYR A 37 3.633 -2.630 20.871 1.00 0.00 N ATOM 525 CA TYR A 37 4.661 -3.033 19.869 1.00 0.00 C ATOM 526 C TYR A 37 4.558 -4.537 19.610 1.00 0.00 C ATOM 527 O TYR A 37 4.510 -5.333 20.528 1.00 0.00 O ATOM 528 CB TYR A 37 6.054 -2.701 20.408 1.00 0.00 C ATOM 529 CG TYR A 37 6.283 -1.211 20.331 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.675 -0.625 19.122 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.100 -0.415 21.468 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.887 0.757 19.050 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.313 0.968 21.396 1.00 0.00 C ATOM 534 CZ TYR A 37 6.706 1.554 20.187 1.00 0.00 C ATOM 535 OH TYR A 37 6.914 2.915 20.115 1.00 0.00 O ATOM 0 H TYR A 37 3.718 -3.077 21.784 1.00 0.00 H new ATOM 0 HA TYR A 37 4.494 -2.493 18.937 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.147 -3.041 21.440 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.814 -3.227 19.830 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.814 -1.239 18.244 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.795 -0.867 22.400 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.190 1.209 18.117 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.174 1.582 22.273 1.00 0.00 H new ATOM 0 HH TYR A 37 6.390 3.363 20.811 1.00 0.00 H new ATOM 545 N PHE A 38 4.524 -4.933 18.368 1.00 0.00 N ATOM 546 CA PHE A 38 4.443 -6.387 18.050 1.00 0.00 C ATOM 547 C PHE A 38 5.725 -6.827 17.342 1.00 0.00 C ATOM 548 O PHE A 38 6.183 -6.191 16.413 1.00 0.00 O ATOM 549 CB PHE A 38 3.242 -6.643 17.138 1.00 0.00 C ATOM 550 CG PHE A 38 1.965 -6.423 17.913 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.405 -5.143 17.992 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.340 -7.501 18.553 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.221 -4.939 18.710 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.155 -7.297 19.270 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.404 -6.016 19.350 1.00 0.00 C ATOM 0 H PHE A 38 4.549 -4.313 17.559 1.00 0.00 H new ATOM 0 HA PHE A 38 4.326 -6.955 18.973 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.277 -5.975 16.277 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.275 -7.662 16.753 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.887 -4.312 17.499 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.772 -8.489 18.493 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.210 -3.951 18.770 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.328 -8.128 19.762 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.317 -5.859 19.905 1.00 0.00 H new ATOM 565 N SER A 39 6.308 -7.913 17.771 1.00 0.00 N ATOM 566 CA SER A 39 7.560 -8.393 17.121 1.00 0.00 C ATOM 567 C SER A 39 7.227 -9.529 16.151 1.00 0.00 C ATOM 568 O SER A 39 6.191 -10.154 16.246 1.00 0.00 O ATOM 569 CB SER A 39 8.525 -8.904 18.192 1.00 0.00 C ATOM 570 OG SER A 39 8.184 -8.330 19.446 1.00 0.00 O ATOM 0 H SER A 39 5.971 -8.488 18.543 1.00 0.00 H new ATOM 0 HA SER A 39 8.024 -7.572 16.574 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.477 -9.991 18.252 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.550 -8.645 17.927 1.00 0.00 H new ATOM 0 HG SER A 39 8.902 -7.730 19.737 1.00 0.00 H new ATOM 576 N PRO A 40 8.107 -9.787 15.223 1.00 0.00 N ATOM 577 CA PRO A 40 7.926 -10.873 14.219 1.00 0.00 C ATOM 578 C PRO A 40 7.646 -12.229 14.875 1.00 0.00 C ATOM 579 O PRO A 40 7.202 -13.160 14.235 1.00 0.00 O ATOM 580 CB PRO A 40 9.262 -10.906 13.475 1.00 0.00 C ATOM 581 CG PRO A 40 10.208 -10.120 14.322 1.00 0.00 C ATOM 582 CD PRO A 40 9.375 -9.067 15.030 1.00 0.00 C ATOM 0 HA PRO A 40 7.070 -10.686 13.570 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.612 -11.930 13.342 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.169 -10.469 12.481 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.712 -10.765 15.042 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.983 -9.656 13.711 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.820 -8.757 15.975 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.250 -8.168 14.427 1.00 0.00 H new ATOM 590 N SER A 41 7.902 -12.345 16.150 1.00 0.00 N ATOM 591 CA SER A 41 7.624 -13.630 16.850 1.00 0.00 C ATOM 592 C SER A 41 6.133 -13.720 17.180 1.00 0.00 C ATOM 593 O SER A 41 5.662 -14.708 17.706 1.00 0.00 O ATOM 594 CB SER A 41 8.436 -13.690 18.145 1.00 0.00 C ATOM 595 OG SER A 41 7.668 -14.338 19.151 1.00 0.00 O ATOM 0 H SER A 41 8.291 -11.606 16.736 1.00 0.00 H new ATOM 0 HA SER A 41 7.904 -14.463 16.205 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.368 -14.230 17.979 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.704 -12.684 18.467 1.00 0.00 H new ATOM 0 HG SER A 41 7.091 -15.013 18.738 1.00 0.00 H new ATOM 601 N GLY A 42 5.386 -12.695 16.873 1.00 0.00 N ATOM 602 CA GLY A 42 3.922 -12.727 17.155 1.00 0.00 C ATOM 603 C GLY A 42 3.679 -12.399 18.629 1.00 0.00 C ATOM 604 O GLY A 42 2.556 -12.381 19.094 1.00 0.00 O ATOM 0 H GLY A 42 5.726 -11.837 16.439 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.403 -12.008 16.521 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.517 -13.711 16.919 1.00 0.00 H new ATOM 608 N LYS A 43 4.722 -12.139 19.369 1.00 0.00 N ATOM 609 CA LYS A 43 4.551 -11.820 20.814 1.00 0.00 C ATOM 610 C LYS A 43 4.103 -10.364 20.964 1.00 0.00 C ATOM 611 O LYS A 43 4.542 -9.492 20.242 1.00 0.00 O ATOM 612 CB LYS A 43 5.881 -12.023 21.543 1.00 0.00 C ATOM 613 CG LYS A 43 5.710 -11.674 23.023 1.00 0.00 C ATOM 614 CD LYS A 43 7.031 -11.909 23.759 1.00 0.00 C ATOM 615 CE LYS A 43 6.858 -11.571 25.240 1.00 0.00 C ATOM 616 NZ LYS A 43 8.118 -11.885 25.971 1.00 0.00 N ATOM 0 H LYS A 43 5.686 -12.134 19.035 1.00 0.00 H new ATOM 0 HA LYS A 43 3.797 -12.479 21.245 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.212 -13.056 21.438 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.652 -11.395 21.097 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.402 -10.634 23.129 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.922 -12.286 23.463 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.342 -12.947 23.646 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.817 -11.292 23.324 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.610 -10.516 25.357 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.029 -12.141 25.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.001 -11.655 26.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.335 -12.897 25.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.898 -11.322 25.576 1.00 0.00 H new ATOM 630 N LYS A 44 3.232 -10.095 21.898 1.00 0.00 N ATOM 631 CA LYS A 44 2.754 -8.698 22.091 1.00 0.00 C ATOM 632 C LYS A 44 3.612 -8.008 23.154 1.00 0.00 C ATOM 633 O LYS A 44 4.040 -8.619 24.111 1.00 0.00 O ATOM 634 CB LYS A 44 1.293 -8.716 22.547 1.00 0.00 C ATOM 635 CG LYS A 44 0.798 -7.280 22.735 1.00 0.00 C ATOM 636 CD LYS A 44 -0.668 -7.298 23.172 1.00 0.00 C ATOM 637 CE LYS A 44 -1.174 -5.863 23.321 1.00 0.00 C ATOM 638 NZ LYS A 44 -2.624 -5.881 23.663 1.00 0.00 N ATOM 0 H LYS A 44 2.831 -10.783 22.536 1.00 0.00 H new ATOM 0 HA LYS A 44 2.833 -8.154 21.150 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.677 -9.230 21.809 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.200 -9.269 23.482 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.405 -6.770 23.483 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.904 -6.723 21.804 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.271 -7.833 22.438 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.770 -7.831 24.117 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.612 -5.347 24.099 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.015 -5.312 22.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.969 -4.905 23.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.153 -6.358 22.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.763 -6.392 24.558 1.00 0.00 H new ATOM 652 N PHE A 45 3.866 -6.738 22.992 1.00 0.00 N ATOM 653 CA PHE A 45 4.707 -6.014 23.987 1.00 0.00 C ATOM 654 C PHE A 45 3.938 -4.804 24.520 1.00 0.00 C ATOM 655 O PHE A 45 3.191 -4.166 23.806 1.00 0.00 O ATOM 656 CB PHE A 45 5.998 -5.543 23.317 1.00 0.00 C ATOM 657 CG PHE A 45 6.970 -6.694 23.231 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.855 -7.633 22.199 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.988 -6.824 24.184 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.756 -8.701 22.120 1.00 0.00 C ATOM 661 CE2 PHE A 45 8.890 -7.892 24.105 1.00 0.00 C ATOM 662 CZ PHE A 45 8.774 -8.831 23.072 1.00 0.00 C ATOM 0 H PHE A 45 3.528 -6.171 22.214 1.00 0.00 H new ATOM 0 HA PHE A 45 4.950 -6.683 24.813 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.783 -5.159 22.320 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.438 -4.724 23.886 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.071 -7.533 21.463 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.077 -6.100 24.980 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.666 -9.425 21.324 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.675 -7.992 24.840 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.470 -9.655 23.010 1.00 0.00 H new ATOM 672 N ARG A 46 4.114 -4.482 25.773 1.00 0.00 N ATOM 673 CA ARG A 46 3.413 -3.299 26.345 1.00 0.00 C ATOM 674 C ARG A 46 4.292 -2.655 27.419 1.00 0.00 C ATOM 675 O ARG A 46 3.936 -2.606 28.579 1.00 0.00 O ATOM 676 CB ARG A 46 2.088 -3.743 26.970 1.00 0.00 C ATOM 677 CG ARG A 46 2.263 -5.122 27.611 1.00 0.00 C ATOM 678 CD ARG A 46 0.977 -5.511 28.341 1.00 0.00 C ATOM 679 NE ARG A 46 0.986 -4.921 29.710 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.107 -4.913 30.423 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.207 -5.421 29.938 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.101 -4.396 31.622 1.00 0.00 N ATOM 0 H ARG A 46 4.714 -4.988 26.425 1.00 0.00 H new ATOM 0 HA ARG A 46 3.217 -2.576 25.553 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.767 -3.020 27.720 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.309 -3.780 26.209 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.499 -5.863 26.847 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.100 -5.107 28.309 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.109 -5.156 27.786 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.894 -6.596 28.401 1.00 0.00 H new ATOM 0 HE ARG A 46 1.846 -4.524 30.089 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.213 -5.825 29.001 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.061 -5.415 30.496 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.758 -3.998 32.002 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.955 -4.390 32.179 1.00 0.00 H new ATOM 696 N SER A 47 5.440 -2.161 27.042 1.00 0.00 N ATOM 697 CA SER A 47 6.359 -1.558 28.047 1.00 0.00 C ATOM 698 C SER A 47 7.755 -1.410 27.438 1.00 0.00 C ATOM 699 O SER A 47 8.409 -2.383 27.118 1.00 0.00 O ATOM 700 CB SER A 47 6.433 -2.463 29.278 1.00 0.00 C ATOM 701 OG SER A 47 5.829 -1.803 30.382 1.00 0.00 O ATOM 0 H SER A 47 5.781 -2.149 26.081 1.00 0.00 H new ATOM 0 HA SER A 47 5.984 -0.577 28.339 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.925 -3.407 29.081 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.472 -2.702 29.506 1.00 0.00 H new ATOM 0 HG SER A 47 4.857 -1.777 30.256 1.00 0.00 H new ATOM 707 N LYS A 48 8.216 -0.202 27.275 1.00 0.00 N ATOM 708 CA LYS A 48 9.575 0.007 26.699 1.00 0.00 C ATOM 709 C LYS A 48 10.560 -0.968 27.349 1.00 0.00 C ATOM 710 O LYS A 48 11.295 -1.661 26.675 1.00 0.00 O ATOM 711 CB LYS A 48 10.027 1.444 26.967 1.00 0.00 C ATOM 712 CG LYS A 48 11.136 1.822 25.985 1.00 0.00 C ATOM 713 CD LYS A 48 12.499 1.541 26.620 1.00 0.00 C ATOM 714 CE LYS A 48 12.941 2.752 27.442 1.00 0.00 C ATOM 715 NZ LYS A 48 13.198 3.903 26.530 1.00 0.00 N ATOM 0 H LYS A 48 7.711 0.651 27.516 1.00 0.00 H new ATOM 0 HA LYS A 48 9.545 -0.170 25.624 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.184 2.127 26.861 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.387 1.538 27.992 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.029 1.252 25.062 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.057 2.876 25.720 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.440 0.658 27.257 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.235 1.326 25.845 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.171 3.014 28.167 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.842 2.513 28.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.958 4.494 26.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.484 3.548 25.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.332 4.471 26.435 1.00 0.00 H new ATOM 729 N PRO A 49 10.571 -1.013 28.653 1.00 0.00 N ATOM 730 CA PRO A 49 11.453 -1.936 29.422 1.00 0.00 C ATOM 731 C PRO A 49 11.227 -3.404 29.048 1.00 0.00 C ATOM 732 O PRO A 49 12.094 -4.238 29.212 1.00 0.00 O ATOM 733 CB PRO A 49 11.058 -1.688 30.878 1.00 0.00 C ATOM 734 CG PRO A 49 9.733 -1.000 30.818 1.00 0.00 C ATOM 735 CD PRO A 49 9.738 -0.184 29.538 1.00 0.00 C ATOM 0 HA PRO A 49 12.507 -1.749 29.219 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.990 -2.625 31.432 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.799 -1.071 31.386 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.918 -1.724 30.815 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.587 -0.359 31.688 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.733 -0.043 29.139 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.163 0.808 29.688 1.00 0.00 H new ATOM 743 N GLN A 50 10.065 -3.726 28.548 1.00 0.00 N ATOM 744 CA GLN A 50 9.789 -5.136 28.153 1.00 0.00 C ATOM 745 C GLN A 50 10.535 -5.462 26.858 1.00 0.00 C ATOM 746 O GLN A 50 11.273 -6.425 26.782 1.00 0.00 O ATOM 747 CB GLN A 50 8.286 -5.319 27.934 1.00 0.00 C ATOM 748 CG GLN A 50 7.972 -6.808 27.768 1.00 0.00 C ATOM 749 CD GLN A 50 6.466 -6.992 27.575 1.00 0.00 C ATOM 750 OE1 GLN A 50 5.832 -6.226 26.878 1.00 0.00 O ATOM 751 NE2 GLN A 50 5.862 -7.987 28.168 1.00 0.00 N ATOM 0 H GLN A 50 9.296 -3.074 28.396 1.00 0.00 H new ATOM 0 HA GLN A 50 10.127 -5.806 28.944 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.732 -4.912 28.780 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.967 -4.768 27.049 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.511 -7.211 26.911 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.308 -7.362 28.645 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.394 -8.631 28.754 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.858 -8.120 28.045 1.00 0.00 H new ATOM 760 N LEU A 51 10.349 -4.669 25.840 1.00 0.00 N ATOM 761 CA LEU A 51 11.082 -4.911 24.564 1.00 0.00 C ATOM 762 C LEU A 51 12.586 -4.769 24.803 1.00 0.00 C ATOM 763 O LEU A 51 13.372 -5.592 24.376 1.00 0.00 O ATOM 764 CB LEU A 51 10.632 -3.887 23.518 1.00 0.00 C ATOM 765 CG LEU A 51 11.573 -3.942 22.313 1.00 0.00 C ATOM 766 CD1 LEU A 51 11.611 -5.368 21.760 1.00 0.00 C ATOM 767 CD2 LEU A 51 11.068 -2.989 21.228 1.00 0.00 C ATOM 0 H LEU A 51 9.722 -3.864 25.835 1.00 0.00 H new ATOM 0 HA LEU A 51 10.866 -5.918 24.206 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.609 -4.097 23.204 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.634 -2.886 23.949 1.00 0.00 H new ATOM 0 HG LEU A 51 12.575 -3.644 22.621 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.281 -5.408 20.901 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.970 -6.048 22.532 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.609 -5.666 21.452 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.738 -3.028 20.369 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.066 -3.287 20.920 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.040 -1.973 21.621 1.00 0.00 H new ATOM 779 N ALA A 52 12.994 -3.732 25.482 1.00 0.00 N ATOM 780 CA ALA A 52 14.446 -3.550 25.765 1.00 0.00 C ATOM 781 C ALA A 52 15.013 -4.831 26.380 1.00 0.00 C ATOM 782 O ALA A 52 16.100 -5.261 26.049 1.00 0.00 O ATOM 783 CB ALA A 52 14.631 -2.390 26.745 1.00 0.00 C ATOM 0 H ALA A 52 12.385 -3.003 25.853 1.00 0.00 H new ATOM 0 HA ALA A 52 14.972 -3.331 24.836 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.692 -2.255 26.953 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.228 -1.476 26.308 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.104 -2.611 27.673 1.00 0.00 H new ATOM 789 N ARG A 53 14.286 -5.441 27.276 1.00 0.00 N ATOM 790 CA ARG A 53 14.777 -6.701 27.901 1.00 0.00 C ATOM 791 C ARG A 53 14.890 -7.794 26.836 1.00 0.00 C ATOM 792 O ARG A 53 15.818 -8.578 26.831 1.00 0.00 O ATOM 793 CB ARG A 53 13.796 -7.145 28.987 1.00 0.00 C ATOM 794 CG ARG A 53 14.329 -8.407 29.669 1.00 0.00 C ATOM 795 CD ARG A 53 13.285 -8.937 30.653 1.00 0.00 C ATOM 796 NE ARG A 53 13.025 -7.909 31.701 1.00 0.00 N ATOM 797 CZ ARG A 53 13.969 -7.582 32.539 1.00 0.00 C ATOM 798 NH1 ARG A 53 15.142 -8.147 32.456 1.00 0.00 N ATOM 799 NH2 ARG A 53 13.741 -6.686 33.461 1.00 0.00 N ATOM 0 H ARG A 53 13.374 -5.121 27.602 1.00 0.00 H new ATOM 0 HA ARG A 53 15.758 -6.527 28.344 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.665 -6.350 29.721 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.817 -7.341 28.550 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.559 -9.167 28.922 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.258 -8.185 30.194 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.361 -9.177 30.126 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.638 -9.860 31.113 1.00 0.00 H new ATOM 0 HE ARG A 53 12.110 -7.462 31.762 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.322 -8.846 31.735 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.879 -7.890 33.112 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.825 -6.242 33.525 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.479 -6.430 34.117 1.00 0.00 H new ATOM 813 N TYR A 54 13.950 -7.854 25.931 1.00 0.00 N ATOM 814 CA TYR A 54 14.000 -8.906 24.877 1.00 0.00 C ATOM 815 C TYR A 54 15.260 -8.721 24.029 1.00 0.00 C ATOM 816 O TYR A 54 16.008 -9.651 23.800 1.00 0.00 O ATOM 817 CB TYR A 54 12.763 -8.790 23.983 1.00 0.00 C ATOM 818 CG TYR A 54 12.852 -9.803 22.867 1.00 0.00 C ATOM 819 CD1 TYR A 54 12.352 -11.097 23.054 1.00 0.00 C ATOM 820 CD2 TYR A 54 13.437 -9.448 21.645 1.00 0.00 C ATOM 821 CE1 TYR A 54 12.435 -12.037 22.019 1.00 0.00 C ATOM 822 CE2 TYR A 54 13.520 -10.388 20.610 1.00 0.00 C ATOM 823 CZ TYR A 54 13.020 -11.682 20.798 1.00 0.00 C ATOM 824 OH TYR A 54 13.102 -12.608 19.778 1.00 0.00 O ATOM 0 H TYR A 54 13.152 -7.221 25.877 1.00 0.00 H new ATOM 0 HA TYR A 54 14.020 -9.890 25.346 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.860 -8.958 24.570 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.692 -7.784 23.570 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.902 -11.371 23.997 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.824 -8.450 21.501 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.048 -13.035 22.163 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.970 -10.115 19.667 1.00 0.00 H new ATOM 0 HH TYR A 54 13.534 -12.199 18.999 1.00 0.00 H new ATOM 834 N LEU A 55 15.500 -7.527 23.559 1.00 0.00 N ATOM 835 CA LEU A 55 16.709 -7.285 22.722 1.00 0.00 C ATOM 836 C LEU A 55 17.968 -7.520 23.562 1.00 0.00 C ATOM 837 O LEU A 55 19.026 -7.812 23.040 1.00 0.00 O ATOM 838 CB LEU A 55 16.697 -5.842 22.215 1.00 0.00 C ATOM 839 CG LEU A 55 15.536 -5.655 21.238 1.00 0.00 C ATOM 840 CD1 LEU A 55 15.418 -4.177 20.861 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.795 -6.482 19.976 1.00 0.00 C ATOM 0 H LEU A 55 14.911 -6.709 23.718 1.00 0.00 H new ATOM 0 HA LEU A 55 16.706 -7.969 21.873 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.596 -5.152 23.053 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.642 -5.610 21.723 1.00 0.00 H new ATOM 0 HG LEU A 55 14.610 -5.985 21.708 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.590 -4.044 20.164 1.00 0.00 H new ATOM 0 HD12 LEU A 55 15.235 -3.586 21.759 1.00 0.00 H new ATOM 0 HD13 LEU A 55 16.344 -3.846 20.391 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.968 -6.350 19.278 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.722 -6.150 19.507 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.880 -7.536 20.242 1.00 0.00 H new ATOM 853 N GLY A 56 17.863 -7.397 24.856 1.00 0.00 N ATOM 854 CA GLY A 56 19.051 -7.628 25.725 1.00 0.00 C ATOM 855 C GLY A 56 20.109 -6.560 25.439 1.00 0.00 C ATOM 856 O GLY A 56 19.815 -5.382 25.373 1.00 0.00 O ATOM 0 H GLY A 56 17.006 -7.147 25.349 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.759 -7.594 26.775 1.00 0.00 H new ATOM 0 HA3 GLY A 56 19.462 -8.621 25.541 1.00 0.00 H new ATOM 860 N ASN A 57 21.339 -6.961 25.270 1.00 0.00 N ATOM 861 CA ASN A 57 22.414 -5.968 24.987 1.00 0.00 C ATOM 862 C ASN A 57 22.796 -6.037 23.507 1.00 0.00 C ATOM 863 O ASN A 57 23.935 -5.822 23.140 1.00 0.00 O ATOM 864 CB ASN A 57 23.640 -6.286 25.846 1.00 0.00 C ATOM 865 CG ASN A 57 23.293 -6.093 27.323 1.00 0.00 C ATOM 866 OD1 ASN A 57 22.697 -5.101 27.695 1.00 0.00 O ATOM 867 ND2 ASN A 57 23.643 -7.006 28.187 1.00 0.00 N ATOM 0 H ASN A 57 21.646 -7.933 25.316 1.00 0.00 H new ATOM 0 HA ASN A 57 22.055 -4.966 25.223 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.965 -7.311 25.669 1.00 0.00 H new ATOM 0 HB3 ASN A 57 24.470 -5.636 25.569 1.00 0.00 H new ATOM 0 HD21 ASN A 57 23.416 -6.887 29.174 1.00 0.00 H new ATOM 0 HD22 ASN A 57 24.143 -7.838 27.875 1.00 0.00 H new ATOM 874 N ALA A 58 21.855 -6.337 22.655 1.00 0.00 N ATOM 875 CA ALA A 58 22.168 -6.429 21.201 1.00 0.00 C ATOM 876 C ALA A 58 21.783 -5.119 20.512 1.00 0.00 C ATOM 877 O ALA A 58 22.289 -4.787 19.459 1.00 0.00 O ATOM 878 CB ALA A 58 21.379 -7.584 20.582 1.00 0.00 C ATOM 0 H ALA A 58 20.883 -6.522 22.903 1.00 0.00 H new ATOM 0 HA ALA A 58 23.235 -6.607 21.069 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.607 -7.652 19.518 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.655 -8.517 21.073 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.312 -7.407 20.713 1.00 0.00 H new ATOM 884 N VAL A 59 20.889 -4.370 21.099 1.00 0.00 N ATOM 885 CA VAL A 59 20.467 -3.085 20.474 1.00 0.00 C ATOM 886 C VAL A 59 20.171 -2.058 21.570 1.00 0.00 C ATOM 887 O VAL A 59 19.764 -2.402 22.662 1.00 0.00 O ATOM 888 CB VAL A 59 19.207 -3.315 19.638 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.857 -2.033 18.879 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.459 -4.445 18.638 1.00 0.00 C ATOM 0 H VAL A 59 20.433 -4.593 21.984 1.00 0.00 H new ATOM 0 HA VAL A 59 21.266 -2.713 19.833 1.00 0.00 H new ATOM 0 HB VAL A 59 18.380 -3.586 20.294 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.959 -2.197 18.283 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.679 -1.226 19.590 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.684 -1.762 18.222 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.562 -4.610 18.042 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.286 -4.173 17.982 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.709 -5.359 19.177 1.00 0.00 H new ATOM 900 N ASP A 60 20.374 -0.800 21.288 1.00 0.00 N ATOM 901 CA ASP A 60 20.098 0.246 22.311 1.00 0.00 C ATOM 902 C ASP A 60 18.779 0.948 21.981 1.00 0.00 C ATOM 903 O ASP A 60 18.629 1.546 20.934 1.00 0.00 O ATOM 904 CB ASP A 60 21.235 1.270 22.314 1.00 0.00 C ATOM 905 CG ASP A 60 21.366 1.890 20.921 1.00 0.00 C ATOM 906 OD1 ASP A 60 20.726 1.392 20.010 1.00 0.00 O ATOM 907 OD2 ASP A 60 22.105 2.853 20.791 1.00 0.00 O ATOM 0 H ASP A 60 20.719 -0.452 20.393 1.00 0.00 H new ATOM 0 HA ASP A 60 20.025 -0.218 23.294 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.037 2.047 23.053 1.00 0.00 H new ATOM 0 HB3 ASP A 60 22.171 0.790 22.600 1.00 0.00 H new ATOM 912 N LEU A 61 17.822 0.881 22.865 1.00 0.00 N ATOM 913 CA LEU A 61 16.519 1.554 22.604 1.00 0.00 C ATOM 914 C LEU A 61 16.400 2.798 23.487 1.00 0.00 C ATOM 915 O LEU A 61 15.333 3.355 23.652 1.00 0.00 O ATOM 916 CB LEU A 61 15.374 0.590 22.925 1.00 0.00 C ATOM 917 CG LEU A 61 15.030 -0.228 21.678 1.00 0.00 C ATOM 918 CD1 LEU A 61 16.283 -0.951 21.181 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.952 -1.257 22.026 1.00 0.00 C ATOM 0 H LEU A 61 17.886 0.389 23.756 1.00 0.00 H new ATOM 0 HA LEU A 61 16.466 1.847 21.555 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.661 -0.074 23.740 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.499 1.147 23.260 1.00 0.00 H new ATOM 0 HG LEU A 61 14.660 0.437 20.897 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.039 -1.534 20.293 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.052 -0.219 20.934 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.653 -1.616 21.961 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.706 -1.840 21.139 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.322 -1.922 22.806 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.059 -0.743 22.381 1.00 0.00 H new ATOM 931 N SER A 62 17.489 3.237 24.057 1.00 0.00 N ATOM 932 CA SER A 62 17.436 4.435 24.941 1.00 0.00 C ATOM 933 C SER A 62 16.993 5.652 24.127 1.00 0.00 C ATOM 934 O SER A 62 16.177 6.439 24.562 1.00 0.00 O ATOM 935 CB SER A 62 18.822 4.694 25.533 1.00 0.00 C ATOM 936 OG SER A 62 19.191 3.599 26.361 1.00 0.00 O ATOM 0 H SER A 62 18.413 2.818 23.949 1.00 0.00 H new ATOM 0 HA SER A 62 16.724 4.259 25.747 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.553 4.824 24.735 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.816 5.617 26.112 1.00 0.00 H new ATOM 0 HG SER A 62 20.080 3.761 26.741 1.00 0.00 H new ATOM 942 N CYS A 63 17.527 5.812 22.946 1.00 0.00 N ATOM 943 CA CYS A 63 17.128 6.973 22.100 1.00 0.00 C ATOM 944 C CYS A 63 15.754 6.706 21.482 1.00 0.00 C ATOM 945 O CYS A 63 15.012 7.617 21.179 1.00 0.00 O ATOM 946 CB CYS A 63 18.159 7.170 20.987 1.00 0.00 C ATOM 947 SG CYS A 63 19.783 7.494 21.720 1.00 0.00 S ATOM 0 H CYS A 63 18.221 5.190 22.531 1.00 0.00 H new ATOM 0 HA CYS A 63 17.081 7.872 22.715 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.203 6.282 20.356 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.865 8.002 20.347 1.00 0.00 H new ATOM 0 HG CYS A 63 20.660 7.659 20.775 1.00 0.00 H new ATOM 953 N PHE A 64 15.411 5.461 21.292 1.00 0.00 N ATOM 954 CA PHE A 64 14.083 5.136 20.700 1.00 0.00 C ATOM 955 C PHE A 64 12.977 5.541 21.676 1.00 0.00 C ATOM 956 O PHE A 64 13.004 5.192 22.840 1.00 0.00 O ATOM 957 CB PHE A 64 14.000 3.633 20.428 1.00 0.00 C ATOM 958 CG PHE A 64 12.577 3.262 20.083 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.008 3.711 18.885 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.828 2.470 20.961 1.00 0.00 C ATOM 961 CE1 PHE A 64 10.689 3.367 18.565 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.508 2.125 20.640 1.00 0.00 C ATOM 963 CZ PHE A 64 9.940 2.575 19.442 1.00 0.00 C ATOM 0 H PHE A 64 15.993 4.655 21.521 1.00 0.00 H new ATOM 0 HA PHE A 64 13.959 5.681 19.764 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.666 3.363 19.609 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.330 3.075 21.304 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.586 4.322 18.208 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.267 2.125 21.885 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.250 3.713 17.641 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.930 1.513 21.316 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.923 2.310 19.195 1.00 0.00 H new ATOM 973 N ASP A 65 12.002 6.274 21.213 1.00 0.00 N ATOM 974 CA ASP A 65 10.891 6.693 22.113 1.00 0.00 C ATOM 975 C ASP A 65 9.861 5.566 22.209 1.00 0.00 C ATOM 976 O ASP A 65 10.089 4.463 21.752 1.00 0.00 O ATOM 977 CB ASP A 65 10.222 7.948 21.548 1.00 0.00 C ATOM 978 CG ASP A 65 11.207 9.118 21.595 1.00 0.00 C ATOM 979 OD1 ASP A 65 12.193 9.008 22.306 1.00 0.00 O ATOM 980 OD2 ASP A 65 10.959 10.102 20.920 1.00 0.00 O ATOM 0 H ASP A 65 11.927 6.601 20.250 1.00 0.00 H new ATOM 0 HA ASP A 65 11.288 6.908 23.105 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.901 7.771 20.522 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.329 8.188 22.125 1.00 0.00 H new ATOM 985 N PHE A 66 8.730 5.832 22.801 1.00 0.00 N ATOM 986 CA PHE A 66 7.688 4.774 22.929 1.00 0.00 C ATOM 987 C PHE A 66 6.338 5.328 22.467 1.00 0.00 C ATOM 988 O PHE A 66 5.680 4.759 21.620 1.00 0.00 O ATOM 989 CB PHE A 66 7.586 4.333 24.390 1.00 0.00 C ATOM 990 CG PHE A 66 6.921 2.979 24.462 1.00 0.00 C ATOM 991 CD1 PHE A 66 7.693 1.815 24.372 1.00 0.00 C ATOM 992 CD2 PHE A 66 5.533 2.888 24.619 1.00 0.00 C ATOM 993 CE1 PHE A 66 7.076 0.559 24.439 1.00 0.00 C ATOM 994 CE2 PHE A 66 4.917 1.632 24.686 1.00 0.00 C ATOM 995 CZ PHE A 66 5.688 0.468 24.595 1.00 0.00 C ATOM 0 H PHE A 66 8.482 6.736 23.202 1.00 0.00 H new ATOM 0 HA PHE A 66 7.960 3.919 22.310 1.00 0.00 H new ATOM 0 HB2 PHE A 66 8.579 4.287 24.837 1.00 0.00 H new ATOM 0 HB3 PHE A 66 7.013 5.062 24.962 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.764 1.885 24.251 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.937 3.786 24.688 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.672 -0.339 24.370 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.846 1.562 24.808 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.212 -0.500 24.645 1.00 0.00 H new ATOM 1005 N ARG A 67 5.922 6.436 23.018 1.00 0.00 N ATOM 1006 CA ARG A 67 4.617 7.028 22.608 1.00 0.00 C ATOM 1007 C ARG A 67 4.660 7.374 21.118 1.00 0.00 C ATOM 1008 O ARG A 67 3.720 7.136 20.388 1.00 0.00 O ATOM 1009 CB ARG A 67 4.354 8.297 23.420 1.00 0.00 C ATOM 1010 CG ARG A 67 4.882 8.110 24.845 1.00 0.00 C ATOM 1011 CD ARG A 67 4.287 6.837 25.448 1.00 0.00 C ATOM 1012 NE ARG A 67 4.184 6.988 26.926 1.00 0.00 N ATOM 1013 CZ ARG A 67 5.247 7.268 27.629 1.00 0.00 C ATOM 1014 NH1 ARG A 67 6.401 7.416 27.036 1.00 0.00 N ATOM 1015 NH2 ARG A 67 5.158 7.400 28.924 1.00 0.00 N ATOM 0 H ARG A 67 6.429 6.956 23.734 1.00 0.00 H new ATOM 0 HA ARG A 67 3.818 6.309 22.791 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.842 9.150 22.949 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.286 8.513 23.442 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.970 8.046 24.835 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.619 8.972 25.458 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.302 6.646 25.022 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.912 5.979 25.202 1.00 0.00 H new ATOM 0 HE ARG A 67 3.282 6.873 27.389 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.471 7.313 26.024 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.232 7.635 27.585 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.257 7.284 29.388 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.990 7.619 29.473 1.00 0.00 H new ATOM 1029 N THR A 68 5.747 7.937 20.662 1.00 0.00 N ATOM 1030 CA THR A 68 5.841 8.317 19.225 1.00 0.00 C ATOM 1031 C THR A 68 6.737 7.318 18.491 1.00 0.00 C ATOM 1032 O THR A 68 6.928 7.403 17.294 1.00 0.00 O ATOM 1033 CB THR A 68 6.438 9.722 19.106 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.622 9.798 19.888 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.426 10.753 19.605 1.00 0.00 C ATOM 0 H THR A 68 6.572 8.149 21.223 1.00 0.00 H new ATOM 0 HA THR A 68 4.846 8.307 18.781 1.00 0.00 H new ATOM 0 HB THR A 68 6.677 9.929 18.063 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.007 10.696 19.812 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.853 11.752 19.520 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.519 10.693 19.004 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.184 10.550 20.648 1.00 0.00 H new ATOM 1043 N GLY A 69 7.289 6.371 19.199 1.00 0.00 N ATOM 1044 CA GLY A 69 8.179 5.371 18.542 1.00 0.00 C ATOM 1045 C GLY A 69 9.196 6.094 17.659 1.00 0.00 C ATOM 1046 O GLY A 69 9.575 5.613 16.610 1.00 0.00 O ATOM 0 H GLY A 69 7.163 6.246 20.203 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.694 4.776 19.296 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.587 4.680 17.942 1.00 0.00 H new ATOM 1050 N LYS A 70 9.642 7.249 18.073 1.00 0.00 N ATOM 1051 CA LYS A 70 10.646 7.995 17.263 1.00 0.00 C ATOM 1052 C LYS A 70 11.971 8.060 18.027 1.00 0.00 C ATOM 1053 O LYS A 70 12.020 7.855 19.223 1.00 0.00 O ATOM 1054 CB LYS A 70 10.137 9.414 17.001 1.00 0.00 C ATOM 1055 CG LYS A 70 9.044 9.376 15.932 1.00 0.00 C ATOM 1056 CD LYS A 70 8.558 10.798 15.647 1.00 0.00 C ATOM 1057 CE LYS A 70 7.474 10.760 14.568 1.00 0.00 C ATOM 1058 NZ LYS A 70 7.050 12.151 14.242 1.00 0.00 N ATOM 0 H LYS A 70 9.354 7.708 18.937 1.00 0.00 H new ATOM 0 HA LYS A 70 10.800 7.483 16.313 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.745 9.847 17.921 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.958 10.051 16.674 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.429 8.922 15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.213 8.757 16.269 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.164 11.248 16.558 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.391 11.420 15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.853 10.265 13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.619 10.180 14.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.313 12.126 13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.673 12.608 15.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.868 12.690 13.893 1.00 0.00 H new ATOM 1072 N MET A 71 13.046 8.345 17.344 1.00 0.00 N ATOM 1073 CA MET A 71 14.367 8.417 18.031 1.00 0.00 C ATOM 1074 C MET A 71 14.601 9.842 18.535 1.00 0.00 C ATOM 1075 O MET A 71 14.156 10.803 17.939 1.00 0.00 O ATOM 1076 CB MET A 71 15.474 8.036 17.046 1.00 0.00 C ATOM 1077 CG MET A 71 15.562 6.511 16.942 1.00 0.00 C ATOM 1078 SD MET A 71 16.919 6.061 15.831 1.00 0.00 S ATOM 1079 CE MET A 71 17.246 4.423 16.525 1.00 0.00 C ATOM 0 H MET A 71 13.067 8.531 16.341 1.00 0.00 H new ATOM 0 HA MET A 71 14.377 7.727 18.874 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.268 8.467 16.066 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.428 8.444 17.379 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.726 6.077 17.928 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.622 6.106 16.568 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.627 3.766 15.743 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.986 4.506 17.321 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.323 4.008 16.930 1.00 0.00 H new