USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 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 -113:sc= 0.583 USER MOD Set 1.2: A 41 SER OG : rot 180:sc= 0.699 USER MOD Set 1.3: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -164:sc= -0.287 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 145:sc= 0.967 (180deg=-0.212!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -18:sc= 0.321! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 149:sc= -1.57 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -78:sc= 0.844 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 107:sc= -1.18! USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.651 (180deg=-1.38) USER MOD Single : A 50 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.34) USER MOD Single : A 57 ASN : amide:sc=-0.00332 K(o=-0.0033,f=-0.68) 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 USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= -2.7! (180deg=-5.25!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -3.955 1.221 12.614 1.00 0.00 N ATOM 53 CA GLY A 6 -2.908 2.268 12.777 1.00 0.00 C ATOM 54 C GLY A 6 -1.554 1.602 13.025 1.00 0.00 C ATOM 55 O GLY A 6 -0.780 2.037 13.854 1.00 0.00 O ATOM 0 HA2 GLY A 6 -2.860 2.892 11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.161 2.923 13.610 1.00 0.00 H new ATOM 59 N ARG A 7 -1.261 0.548 12.313 1.00 0.00 N ATOM 60 CA ARG A 7 0.046 -0.141 12.504 1.00 0.00 C ATOM 61 C ARG A 7 1.116 0.549 11.654 1.00 0.00 C ATOM 62 O ARG A 7 0.876 0.927 10.524 1.00 0.00 O ATOM 63 CB ARG A 7 -0.080 -1.603 12.072 1.00 0.00 C ATOM 64 CG ARG A 7 -1.117 -2.307 12.951 1.00 0.00 C ATOM 65 CD ARG A 7 -1.270 -3.759 12.497 1.00 0.00 C ATOM 66 NE ARG A 7 -1.870 -3.794 11.135 1.00 0.00 N ATOM 67 CZ ARG A 7 -1.854 -4.901 10.442 1.00 0.00 C ATOM 68 NH1 ARG A 7 -1.315 -5.977 10.946 1.00 0.00 N ATOM 69 NH2 ARG A 7 -2.380 -4.931 9.249 1.00 0.00 N ATOM 0 H ARG A 7 -1.871 0.135 11.607 1.00 0.00 H new ATOM 0 HA ARG A 7 0.330 -0.095 13.555 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.377 -1.660 11.025 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.885 -2.103 12.158 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.807 -2.272 13.996 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.075 -1.791 12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.298 -4.253 12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.901 -4.306 13.198 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.294 -2.953 10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.907 -5.953 11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.302 -6.842 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.804 -4.090 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.368 -5.795 8.708 1.00 0.00 H new ATOM 83 N THR A 8 2.294 0.717 12.189 1.00 0.00 N ATOM 84 CA THR A 8 3.373 1.396 11.419 1.00 0.00 C ATOM 85 C THR A 8 4.712 0.717 11.711 1.00 0.00 C ATOM 86 O THR A 8 4.910 0.142 12.762 1.00 0.00 O ATOM 87 CB THR A 8 3.446 2.869 11.830 1.00 0.00 C ATOM 88 OG1 THR A 8 3.908 2.961 13.171 1.00 0.00 O ATOM 89 CG2 THR A 8 2.058 3.501 11.723 1.00 0.00 C ATOM 0 H THR A 8 2.556 0.413 13.127 1.00 0.00 H new ATOM 0 HA THR A 8 3.156 1.328 10.353 1.00 0.00 H new ATOM 0 HB THR A 8 4.134 3.397 11.170 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.957 3.903 13.436 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.112 4.549 12.016 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.704 3.429 10.695 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.367 2.975 12.382 1.00 0.00 H new ATOM 97 N ASP A 9 5.634 0.779 10.789 1.00 0.00 N ATOM 98 CA ASP A 9 6.966 0.154 11.025 1.00 0.00 C ATOM 99 C ASP A 9 7.776 1.028 11.985 1.00 0.00 C ATOM 100 O ASP A 9 7.544 2.214 12.107 1.00 0.00 O ATOM 101 CB ASP A 9 7.713 0.029 9.695 1.00 0.00 C ATOM 102 CG ASP A 9 8.034 1.424 9.156 1.00 0.00 C ATOM 103 OD1 ASP A 9 7.595 2.387 9.763 1.00 0.00 O ATOM 104 OD2 ASP A 9 8.711 1.505 8.145 1.00 0.00 O ATOM 0 H ASP A 9 5.522 1.235 9.883 1.00 0.00 H new ATOM 0 HA ASP A 9 6.831 -0.836 11.461 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.633 -0.539 9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.106 -0.520 8.975 1.00 0.00 H new ATOM 109 N CYS A 10 8.728 0.451 12.668 1.00 0.00 N ATOM 110 CA CYS A 10 9.550 1.248 13.620 1.00 0.00 C ATOM 111 C CYS A 10 11.005 1.267 13.144 1.00 0.00 C ATOM 112 O CYS A 10 11.639 0.239 13.013 1.00 0.00 O ATOM 113 CB CYS A 10 9.478 0.614 15.011 1.00 0.00 C ATOM 114 SG CYS A 10 9.654 1.902 16.271 1.00 0.00 S ATOM 0 H CYS A 10 8.971 -0.538 12.607 1.00 0.00 H new ATOM 0 HA CYS A 10 9.168 2.268 13.665 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.528 0.095 15.137 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.266 -0.131 15.124 1.00 0.00 H new ATOM 0 HG CYS A 10 9.922 1.353 17.418 1.00 0.00 H new ATOM 120 N PRO A 11 11.524 2.437 12.886 1.00 0.00 N ATOM 121 CA PRO A 11 12.925 2.610 12.406 1.00 0.00 C ATOM 122 C PRO A 11 13.953 2.368 13.517 1.00 0.00 C ATOM 123 O PRO A 11 15.087 2.019 13.260 1.00 0.00 O ATOM 124 CB PRO A 11 12.975 4.067 11.942 1.00 0.00 C ATOM 125 CG PRO A 11 11.898 4.765 12.707 1.00 0.00 C ATOM 126 CD PRO A 11 10.827 3.724 13.027 1.00 0.00 C ATOM 0 HA PRO A 11 13.174 1.895 11.622 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.950 4.510 12.144 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.806 4.143 10.868 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.297 5.201 13.623 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.478 5.583 12.121 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.432 3.855 14.034 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.983 3.797 12.342 1.00 0.00 H new ATOM 134 N ALA A 12 13.563 2.550 14.748 1.00 0.00 N ATOM 135 CA ALA A 12 14.516 2.325 15.872 1.00 0.00 C ATOM 136 C ALA A 12 14.635 0.824 16.147 1.00 0.00 C ATOM 137 O ALA A 12 15.571 0.371 16.776 1.00 0.00 O ATOM 138 CB ALA A 12 14.003 3.033 17.127 1.00 0.00 C ATOM 0 H ALA A 12 12.626 2.845 15.025 1.00 0.00 H new ATOM 0 HA ALA A 12 15.494 2.725 15.604 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.700 2.868 17.948 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.918 4.102 16.932 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.025 2.634 17.396 1.00 0.00 H new ATOM 144 N LEU A 13 13.695 0.049 15.680 1.00 0.00 N ATOM 145 CA LEU A 13 13.753 -1.421 15.919 1.00 0.00 C ATOM 146 C LEU A 13 14.011 -2.143 14.596 1.00 0.00 C ATOM 147 O LEU A 13 13.520 -1.749 13.558 1.00 0.00 O ATOM 148 CB LEU A 13 12.422 -1.895 16.508 1.00 0.00 C ATOM 149 CG LEU A 13 12.060 -1.027 17.715 1.00 0.00 C ATOM 150 CD1 LEU A 13 10.736 -1.510 18.312 1.00 0.00 C ATOM 151 CD2 LEU A 13 13.164 -1.135 18.769 1.00 0.00 C ATOM 0 H LEU A 13 12.889 0.370 15.143 1.00 0.00 H new ATOM 0 HA LEU A 13 14.559 -1.644 16.618 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.637 -1.835 15.755 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.496 -2.940 16.808 1.00 0.00 H new ATOM 0 HG LEU A 13 11.959 0.011 17.399 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.478 -0.892 19.172 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.949 -1.434 17.561 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.837 -2.548 18.629 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.907 -0.517 19.629 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.265 -2.173 19.085 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.107 -0.792 18.344 1.00 0.00 H new ATOM 163 N PRO A 14 14.781 -3.197 14.640 1.00 0.00 N ATOM 164 CA PRO A 14 15.135 -3.990 13.427 1.00 0.00 C ATOM 165 C PRO A 14 13.940 -4.177 12.488 1.00 0.00 C ATOM 166 O PRO A 14 12.800 -4.031 12.884 1.00 0.00 O ATOM 167 CB PRO A 14 15.588 -5.339 13.988 1.00 0.00 C ATOM 168 CG PRO A 14 16.044 -5.061 15.383 1.00 0.00 C ATOM 169 CD PRO A 14 15.398 -3.745 15.857 1.00 0.00 C ATOM 0 HA PRO A 14 15.897 -3.491 12.828 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.772 -6.061 13.979 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.394 -5.762 13.389 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.762 -5.881 16.044 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.131 -4.983 15.418 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.657 -3.922 16.636 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.140 -3.062 16.271 1.00 0.00 H new ATOM 177 N PRO A 15 14.205 -4.500 11.253 1.00 0.00 N ATOM 178 CA PRO A 15 13.144 -4.728 10.231 1.00 0.00 C ATOM 179 C PRO A 15 12.149 -5.810 10.660 1.00 0.00 C ATOM 180 O PRO A 15 12.529 -6.892 11.061 1.00 0.00 O ATOM 181 CB PRO A 15 13.922 -5.179 8.994 1.00 0.00 C ATOM 182 CG PRO A 15 15.316 -4.681 9.198 1.00 0.00 C ATOM 183 CD PRO A 15 15.553 -4.683 10.694 1.00 0.00 C ATOM 0 HA PRO A 15 12.543 -3.834 10.066 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.903 -6.264 8.892 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.487 -4.766 8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.036 -5.322 8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.435 -3.679 8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.003 -5.618 11.028 1.00 0.00 H new ATOM 0 HD3 PRO A 15 16.225 -3.880 10.995 1.00 0.00 H new ATOM 191 N GLY A 16 10.878 -5.525 10.582 1.00 0.00 N ATOM 192 CA GLY A 16 9.860 -6.543 10.971 1.00 0.00 C ATOM 193 C GLY A 16 9.100 -6.057 12.205 1.00 0.00 C ATOM 194 O GLY A 16 7.933 -6.349 12.382 1.00 0.00 O ATOM 0 H GLY A 16 10.500 -4.632 10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.167 -6.713 10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.345 -7.496 11.181 1.00 0.00 H new ATOM 198 N TRP A 17 9.750 -5.320 13.063 1.00 0.00 N ATOM 199 CA TRP A 17 9.062 -4.813 14.283 1.00 0.00 C ATOM 200 C TRP A 17 7.877 -3.936 13.873 1.00 0.00 C ATOM 201 O TRP A 17 7.981 -3.111 12.988 1.00 0.00 O ATOM 202 CB TRP A 17 10.044 -3.986 15.116 1.00 0.00 C ATOM 203 CG TRP A 17 10.876 -4.899 15.957 1.00 0.00 C ATOM 204 CD1 TRP A 17 12.187 -5.161 15.754 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.479 -5.672 17.126 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.620 -6.047 16.725 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.604 -6.391 17.594 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.264 -5.818 17.821 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.528 -7.226 18.710 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.184 -6.657 18.944 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.313 -7.359 19.387 1.00 0.00 C ATOM 0 H TRP A 17 10.729 -5.047 12.972 1.00 0.00 H new ATOM 0 HA TRP A 17 8.703 -5.655 14.874 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.683 -3.394 14.462 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.500 -3.286 15.750 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.796 -4.747 14.964 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.574 -6.403 16.791 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.388 -5.281 17.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.401 -7.765 19.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.246 -6.762 19.470 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.244 -8.003 20.251 1.00 0.00 H new ATOM 222 N LYS A 18 6.751 -4.109 14.509 1.00 0.00 N ATOM 223 CA LYS A 18 5.559 -3.291 14.151 1.00 0.00 C ATOM 224 C LYS A 18 4.959 -2.680 15.418 1.00 0.00 C ATOM 225 O LYS A 18 5.110 -3.206 16.503 1.00 0.00 O ATOM 226 CB LYS A 18 4.516 -4.178 13.469 1.00 0.00 C ATOM 227 CG LYS A 18 5.084 -4.717 12.154 1.00 0.00 C ATOM 228 CD LYS A 18 4.967 -3.644 11.069 1.00 0.00 C ATOM 229 CE LYS A 18 5.485 -4.201 9.742 1.00 0.00 C ATOM 230 NZ LYS A 18 5.336 -3.168 8.678 1.00 0.00 N ATOM 0 H LYS A 18 6.605 -4.782 15.261 1.00 0.00 H new ATOM 0 HA LYS A 18 5.858 -2.494 13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.242 -5.004 14.125 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.607 -3.607 13.278 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.127 -5.003 12.286 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.543 -5.614 11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.928 -3.331 10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.539 -2.761 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.532 -4.489 9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.931 -5.100 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.688 -3.546 7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.332 -2.914 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.883 -2.322 8.936 1.00 0.00 H new ATOM 244 N LYS A 19 4.280 -1.573 15.291 1.00 0.00 N ATOM 245 CA LYS A 19 3.669 -0.932 16.490 1.00 0.00 C ATOM 246 C LYS A 19 2.270 -0.423 16.140 1.00 0.00 C ATOM 247 O LYS A 19 2.013 0.000 15.030 1.00 0.00 O ATOM 248 CB LYS A 19 4.541 0.242 16.941 1.00 0.00 C ATOM 249 CG LYS A 19 4.526 1.332 15.868 1.00 0.00 C ATOM 250 CD LYS A 19 5.483 2.456 16.268 1.00 0.00 C ATOM 251 CE LYS A 19 4.909 3.213 17.467 1.00 0.00 C ATOM 252 NZ LYS A 19 4.870 4.671 17.161 1.00 0.00 N ATOM 0 H LYS A 19 4.122 -1.085 14.409 1.00 0.00 H new ATOM 0 HA LYS A 19 3.598 -1.663 17.296 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.171 0.642 17.885 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.562 -0.096 17.116 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.822 0.914 14.906 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.516 1.725 15.748 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.460 2.044 16.519 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.630 3.138 15.430 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.906 2.851 17.693 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.520 3.032 18.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.031 5.096 17.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.727 5.127 17.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.825 4.808 16.131 1.00 0.00 H new ATOM 266 N GLU A 20 1.362 -0.461 17.078 1.00 0.00 N ATOM 267 CA GLU A 20 -0.017 0.028 16.799 1.00 0.00 C ATOM 268 C GLU A 20 -0.400 1.089 17.833 1.00 0.00 C ATOM 269 O GLU A 20 0.168 1.158 18.905 1.00 0.00 O ATOM 270 CB GLU A 20 -1.000 -1.142 16.883 1.00 0.00 C ATOM 271 CG GLU A 20 -2.389 -0.675 16.447 1.00 0.00 C ATOM 272 CD GLU A 20 -3.354 -1.862 16.456 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.996 -2.886 17.015 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.433 -1.727 15.904 1.00 0.00 O ATOM 0 H GLU A 20 1.516 -0.809 18.024 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.053 0.463 15.800 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.663 -1.960 16.246 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.038 -1.527 17.902 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.749 0.105 17.118 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.341 -0.240 15.449 1.00 0.00 H new ATOM 281 N GLU A 21 -1.359 1.917 17.522 1.00 0.00 N ATOM 282 CA GLU A 21 -1.770 2.977 18.485 1.00 0.00 C ATOM 283 C GLU A 21 -3.288 2.938 18.669 1.00 0.00 C ATOM 284 O GLU A 21 -4.042 3.241 17.765 1.00 0.00 O ATOM 285 CB GLU A 21 -1.357 4.347 17.943 1.00 0.00 C ATOM 286 CG GLU A 21 -1.733 5.431 18.954 1.00 0.00 C ATOM 287 CD GLU A 21 -1.232 6.789 18.459 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.419 6.802 17.549 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.669 7.792 18.998 1.00 0.00 O ATOM 0 H GLU A 21 -1.876 1.905 16.643 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.283 2.804 19.445 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.283 4.367 17.755 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.851 4.537 16.990 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.814 5.458 19.089 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.296 5.203 19.926 1.00 0.00 H new ATOM 296 N VAL A 22 -3.745 2.569 19.835 1.00 0.00 N ATOM 297 CA VAL A 22 -5.213 2.517 20.079 1.00 0.00 C ATOM 298 C VAL A 22 -5.612 3.649 21.027 1.00 0.00 C ATOM 299 O VAL A 22 -4.991 3.864 22.049 1.00 0.00 O ATOM 300 CB VAL A 22 -5.579 1.172 20.709 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.996 1.243 21.280 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.517 0.077 19.641 1.00 0.00 C ATOM 0 H VAL A 22 -3.164 2.301 20.629 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.742 2.631 19.133 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.876 0.943 21.510 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.256 0.284 21.729 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.044 2.024 22.039 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.700 1.472 20.480 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.777 -0.882 20.088 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.221 0.308 18.842 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.508 0.025 19.232 1.00 0.00 H new ATOM 312 N ILE A 23 -6.645 4.376 20.698 1.00 0.00 N ATOM 313 CA ILE A 23 -7.072 5.504 21.574 1.00 0.00 C ATOM 314 C ILE A 23 -8.291 5.079 22.395 1.00 0.00 C ATOM 315 O ILE A 23 -9.268 4.589 21.865 1.00 0.00 O ATOM 316 CB ILE A 23 -7.435 6.712 20.709 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.219 7.127 19.878 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.856 7.875 21.607 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.639 8.174 18.844 1.00 0.00 C ATOM 0 H ILE A 23 -7.211 4.238 19.861 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.257 5.771 22.246 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.258 6.448 20.045 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.443 7.533 20.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.793 6.257 19.378 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.115 8.736 20.990 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.721 7.581 22.201 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.033 8.139 22.271 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.772 8.469 18.252 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.400 7.752 18.187 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.044 9.048 19.355 1.00 0.00 H new ATOM 331 N ARG A 24 -8.240 5.262 23.686 1.00 0.00 N ATOM 332 CA ARG A 24 -9.392 4.859 24.540 1.00 0.00 C ATOM 333 C ARG A 24 -10.698 5.305 23.880 1.00 0.00 C ATOM 334 O ARG A 24 -10.990 6.481 23.791 1.00 0.00 O ATOM 335 CB ARG A 24 -9.263 5.521 25.914 1.00 0.00 C ATOM 336 CG ARG A 24 -8.597 4.548 26.889 1.00 0.00 C ATOM 337 CD ARG A 24 -7.079 4.590 26.694 1.00 0.00 C ATOM 338 NE ARG A 24 -6.493 3.275 27.077 1.00 0.00 N ATOM 339 CZ ARG A 24 -6.708 2.788 28.269 1.00 0.00 C ATOM 340 NH1 ARG A 24 -7.443 3.448 29.120 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.189 1.639 28.607 1.00 0.00 N ATOM 0 H ARG A 24 -7.451 5.673 24.186 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.396 3.775 24.657 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.673 6.434 25.835 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.247 5.808 26.285 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.850 4.814 27.915 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.968 3.537 26.721 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.841 4.817 25.655 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.645 5.384 27.301 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.924 2.756 26.408 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.850 4.345 28.854 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.611 3.068 30.051 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.616 1.122 27.940 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.357 1.258 29.538 1.00 0.00 H new ATOM 355 N LYS A 25 -11.487 4.376 23.415 1.00 0.00 N ATOM 356 CA LYS A 25 -12.768 4.747 22.753 1.00 0.00 C ATOM 357 C LYS A 25 -13.893 4.759 23.789 1.00 0.00 C ATOM 358 O LYS A 25 -14.906 5.406 23.612 1.00 0.00 O ATOM 359 CB LYS A 25 -13.091 3.728 21.659 1.00 0.00 C ATOM 360 CG LYS A 25 -13.245 2.339 22.284 1.00 0.00 C ATOM 361 CD LYS A 25 -13.529 1.313 21.185 1.00 0.00 C ATOM 362 CE LYS A 25 -13.670 -0.077 21.809 1.00 0.00 C ATOM 363 NZ LYS A 25 -13.555 -1.113 20.744 1.00 0.00 N ATOM 0 H LYS A 25 -11.299 3.375 23.465 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.674 5.738 22.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.009 4.010 21.144 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.297 3.716 20.912 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.337 2.068 22.823 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.057 2.344 23.011 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.442 1.578 20.652 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.721 1.315 20.453 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.898 -0.229 22.564 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.632 -0.165 22.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.651 -2.058 21.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.307 -0.971 20.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.627 -1.033 20.281 1.00 0.00 H new ATOM 377 N SER A 26 -13.725 4.045 24.869 1.00 0.00 N ATOM 378 CA SER A 26 -14.795 3.999 25.905 1.00 0.00 C ATOM 379 C SER A 26 -14.409 4.900 27.078 1.00 0.00 C ATOM 380 O SER A 26 -13.305 4.840 27.583 1.00 0.00 O ATOM 381 CB SER A 26 -14.962 2.561 26.399 1.00 0.00 C ATOM 382 OG SER A 26 -14.093 2.340 27.502 1.00 0.00 O ATOM 0 H SER A 26 -12.894 3.492 25.078 1.00 0.00 H new ATOM 0 HA SER A 26 -15.734 4.348 25.474 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.996 2.383 26.695 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.735 1.860 25.596 1.00 0.00 H new ATOM 0 HG SER A 26 -13.398 3.031 27.514 1.00 0.00 H new ATOM 388 N GLY A 27 -15.309 5.736 27.518 1.00 0.00 N ATOM 389 CA GLY A 27 -14.999 6.628 28.671 1.00 0.00 C ATOM 390 C GLY A 27 -14.834 8.066 28.176 1.00 0.00 C ATOM 391 O GLY A 27 -14.241 8.312 27.144 1.00 0.00 O ATOM 0 H GLY A 27 -16.246 5.840 27.129 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.799 6.576 29.409 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.086 6.296 29.166 1.00 0.00 H new ATOM 395 N LEU A 28 -15.355 9.017 28.901 1.00 0.00 N ATOM 396 CA LEU A 28 -15.234 10.436 28.466 1.00 0.00 C ATOM 397 C LEU A 28 -13.755 10.815 28.364 1.00 0.00 C ATOM 398 O LEU A 28 -13.375 11.672 27.591 1.00 0.00 O ATOM 399 CB LEU A 28 -15.923 11.344 29.488 1.00 0.00 C ATOM 400 CG LEU A 28 -15.774 12.804 29.057 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.378 12.990 27.664 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.505 13.706 30.054 1.00 0.00 C ATOM 0 H LEU A 28 -15.859 8.872 29.776 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.709 10.558 27.492 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -16.978 11.084 29.568 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.483 11.198 30.474 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.717 13.069 29.032 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.272 14.031 27.357 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.858 12.347 26.953 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.435 12.725 27.687 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.400 14.747 29.748 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -17.562 13.440 30.078 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.075 13.574 31.047 1.00 0.00 H new ATOM 414 N SER A 29 -12.916 10.182 29.139 1.00 0.00 N ATOM 415 CA SER A 29 -11.463 10.506 29.084 1.00 0.00 C ATOM 416 C SER A 29 -10.924 10.202 27.685 1.00 0.00 C ATOM 417 O SER A 29 -9.748 9.960 27.502 1.00 0.00 O ATOM 418 CB SER A 29 -10.714 9.660 30.115 1.00 0.00 C ATOM 419 OG SER A 29 -10.947 8.283 29.849 1.00 0.00 O ATOM 0 H SER A 29 -13.174 9.456 29.807 1.00 0.00 H new ATOM 0 HA SER A 29 -11.318 11.563 29.306 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.646 9.875 30.073 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.050 9.910 31.121 1.00 0.00 H new ATOM 0 HG SER A 29 -10.467 7.737 30.506 1.00 0.00 H new ATOM 425 N ALA A 30 -11.776 10.212 26.697 1.00 0.00 N ATOM 426 CA ALA A 30 -11.313 9.914 25.312 1.00 0.00 C ATOM 427 C ALA A 30 -10.131 10.821 24.964 1.00 0.00 C ATOM 428 O ALA A 30 -10.124 11.995 25.277 1.00 0.00 O ATOM 429 CB ALA A 30 -12.457 10.166 24.327 1.00 0.00 C ATOM 0 H ALA A 30 -12.772 10.413 26.789 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.002 8.871 25.249 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.119 9.948 23.314 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.300 9.521 24.575 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.768 11.209 24.390 1.00 0.00 H new ATOM 435 N GLY A 31 -9.130 10.287 24.319 1.00 0.00 N ATOM 436 CA GLY A 31 -7.946 11.116 23.960 1.00 0.00 C ATOM 437 C GLY A 31 -6.669 10.416 24.428 1.00 0.00 C ATOM 438 O GLY A 31 -5.602 10.623 23.887 1.00 0.00 O ATOM 0 H GLY A 31 -9.082 9.311 24.025 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.913 11.273 22.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.024 12.100 24.423 1.00 0.00 H new ATOM 442 N LYS A 32 -6.770 9.587 25.431 1.00 0.00 N ATOM 443 CA LYS A 32 -5.570 8.846 25.910 1.00 0.00 C ATOM 444 C LYS A 32 -5.170 7.798 24.869 1.00 0.00 C ATOM 445 O LYS A 32 -5.983 7.018 24.416 1.00 0.00 O ATOM 446 CB LYS A 32 -5.892 8.153 27.234 1.00 0.00 C ATOM 447 CG LYS A 32 -6.056 9.204 28.334 1.00 0.00 C ATOM 448 CD LYS A 32 -6.352 8.510 29.664 1.00 0.00 C ATOM 449 CE LYS A 32 -6.528 9.562 30.761 1.00 0.00 C ATOM 450 NZ LYS A 32 -6.803 8.885 32.060 1.00 0.00 N ATOM 0 H LYS A 32 -7.632 9.391 25.939 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.747 9.545 26.058 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.806 7.567 27.137 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.094 7.458 27.496 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.149 9.802 28.418 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.866 9.888 28.080 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.255 7.905 29.578 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.538 7.833 29.922 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.629 10.173 30.841 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.349 10.233 30.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.923 9.600 32.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.672 8.320 31.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.006 8.262 32.302 1.00 0.00 H new ATOM 464 N SER A 33 -3.923 7.774 24.485 1.00 0.00 N ATOM 465 CA SER A 33 -3.488 6.823 23.424 1.00 0.00 C ATOM 466 C SER A 33 -2.451 5.856 23.998 1.00 0.00 C ATOM 467 O SER A 33 -1.641 6.220 24.828 1.00 0.00 O ATOM 468 CB SER A 33 -2.870 7.602 22.264 1.00 0.00 C ATOM 469 OG SER A 33 -2.496 6.696 21.234 1.00 0.00 O ATOM 0 H SER A 33 -3.187 8.372 24.860 1.00 0.00 H new ATOM 0 HA SER A 33 -4.350 6.260 23.066 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.583 8.332 21.881 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.998 8.159 22.608 1.00 0.00 H new ATOM 0 HG SER A 33 -2.576 7.139 20.364 1.00 0.00 H new ATOM 475 N ASP A 34 -2.467 4.626 23.564 1.00 0.00 N ATOM 476 CA ASP A 34 -1.455 3.648 24.054 1.00 0.00 C ATOM 477 C ASP A 34 -0.746 3.008 22.858 1.00 0.00 C ATOM 478 O ASP A 34 -1.348 2.737 21.838 1.00 0.00 O ATOM 479 CB ASP A 34 -2.151 2.561 24.874 1.00 0.00 C ATOM 480 CG ASP A 34 -2.667 3.161 26.184 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.191 4.222 26.554 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.528 2.550 26.795 1.00 0.00 O ATOM 0 H ASP A 34 -3.138 4.256 22.891 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.725 4.162 24.679 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.978 2.136 24.306 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.456 1.747 25.083 1.00 0.00 H new ATOM 487 N VAL A 35 0.531 2.766 22.974 1.00 0.00 N ATOM 488 CA VAL A 35 1.285 2.178 21.831 1.00 0.00 C ATOM 489 C VAL A 35 1.656 0.729 22.153 1.00 0.00 C ATOM 490 O VAL A 35 2.212 0.438 23.194 1.00 0.00 O ATOM 491 CB VAL A 35 2.558 2.989 21.588 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.478 2.224 20.636 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.192 4.339 20.968 1.00 0.00 C ATOM 0 H VAL A 35 1.085 2.950 23.811 1.00 0.00 H new ATOM 0 HA VAL A 35 0.663 2.202 20.936 1.00 0.00 H new ATOM 0 HB VAL A 35 3.071 3.151 22.536 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.385 2.803 20.463 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.740 1.262 21.077 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.966 2.061 19.688 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.099 4.918 20.795 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.678 4.177 20.020 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.537 4.886 21.647 1.00 0.00 H new ATOM 503 N TYR A 36 1.353 -0.181 21.270 1.00 0.00 N ATOM 504 CA TYR A 36 1.721 -1.605 21.510 1.00 0.00 C ATOM 505 C TYR A 36 2.798 -2.029 20.508 1.00 0.00 C ATOM 506 O TYR A 36 2.873 -1.515 19.409 1.00 0.00 O ATOM 507 CB TYR A 36 0.485 -2.489 21.333 1.00 0.00 C ATOM 508 CG TYR A 36 -0.519 -2.173 22.417 1.00 0.00 C ATOM 509 CD1 TYR A 36 -1.411 -1.107 22.255 1.00 0.00 C ATOM 510 CD2 TYR A 36 -0.557 -2.947 23.582 1.00 0.00 C ATOM 511 CE1 TYR A 36 -2.342 -0.815 23.259 1.00 0.00 C ATOM 512 CE2 TYR A 36 -1.488 -2.655 24.587 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.381 -1.588 24.424 1.00 0.00 C ATOM 514 OH TYR A 36 -3.298 -1.300 25.415 1.00 0.00 O ATOM 0 H TYR A 36 0.866 -0.001 20.392 1.00 0.00 H new ATOM 0 HA TYR A 36 2.104 -1.715 22.525 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.042 -2.321 20.352 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.767 -3.541 21.379 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.381 -0.510 21.356 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.132 -3.770 23.706 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.030 0.008 23.134 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.517 -3.252 25.487 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.190 -1.934 26.155 1.00 0.00 H new ATOM 524 N TYR A 37 3.631 -2.962 20.878 1.00 0.00 N ATOM 525 CA TYR A 37 4.717 -3.399 19.955 1.00 0.00 C ATOM 526 C TYR A 37 4.596 -4.902 19.701 1.00 0.00 C ATOM 527 O TYR A 37 4.431 -5.685 20.615 1.00 0.00 O ATOM 528 CB TYR A 37 6.077 -3.096 20.588 1.00 0.00 C ATOM 529 CG TYR A 37 6.266 -1.600 20.686 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.621 -0.864 19.551 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.085 -0.951 21.914 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.795 0.522 19.642 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.259 0.434 22.005 1.00 0.00 C ATOM 534 CZ TYR A 37 6.614 1.171 20.869 1.00 0.00 C ATOM 535 OH TYR A 37 6.787 2.537 20.959 1.00 0.00 O ATOM 0 H TYR A 37 3.607 -3.441 21.778 1.00 0.00 H new ATOM 0 HA TYR A 37 4.629 -2.863 19.010 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.137 -3.546 21.579 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.875 -3.535 19.989 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.761 -1.365 18.604 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.811 -1.520 22.790 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.069 1.091 18.766 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.119 0.935 22.952 1.00 0.00 H new ATOM 0 HH TYR A 37 7.744 2.745 20.983 1.00 0.00 H new ATOM 545 N PHE A 38 4.677 -5.312 18.464 1.00 0.00 N ATOM 546 CA PHE A 38 4.569 -6.765 18.153 1.00 0.00 C ATOM 547 C PHE A 38 5.862 -7.241 17.487 1.00 0.00 C ATOM 548 O PHE A 38 6.395 -6.592 16.609 1.00 0.00 O ATOM 549 CB PHE A 38 3.391 -6.998 17.204 1.00 0.00 C ATOM 550 CG PHE A 38 2.100 -6.678 17.917 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.611 -5.366 17.926 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.390 -7.693 18.569 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.414 -5.069 18.588 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.192 -7.396 19.231 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.296 -6.084 19.240 1.00 0.00 C ATOM 0 H PHE A 38 4.813 -4.704 17.657 1.00 0.00 H new ATOM 0 HA PHE A 38 4.408 -7.323 19.075 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.495 -6.372 16.318 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.384 -8.033 16.863 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.158 -4.583 17.422 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.766 -8.705 18.562 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.038 -4.057 18.596 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.355 -8.179 19.735 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.220 -5.855 19.750 1.00 0.00 H new ATOM 565 N SER A 39 6.370 -8.372 17.897 1.00 0.00 N ATOM 566 CA SER A 39 7.619 -8.895 17.276 1.00 0.00 C ATOM 567 C SER A 39 7.275 -9.616 15.971 1.00 0.00 C ATOM 568 O SER A 39 6.129 -9.918 15.701 1.00 0.00 O ATOM 569 CB SER A 39 8.294 -9.875 18.236 1.00 0.00 C ATOM 570 OG SER A 39 8.587 -11.083 17.547 1.00 0.00 O ATOM 0 H SER A 39 5.974 -8.955 18.634 1.00 0.00 H new ATOM 0 HA SER A 39 8.296 -8.067 17.067 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.210 -9.439 18.634 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.642 -10.077 19.086 1.00 0.00 H new ATOM 0 HG SER A 39 8.037 -11.808 17.910 1.00 0.00 H new ATOM 576 N PRO A 40 8.267 -9.889 15.169 1.00 0.00 N ATOM 577 CA PRO A 40 8.091 -10.627 13.885 1.00 0.00 C ATOM 578 C PRO A 40 7.477 -12.015 14.096 1.00 0.00 C ATOM 579 O PRO A 40 6.838 -12.560 13.218 1.00 0.00 O ATOM 580 CB PRO A 40 9.514 -10.749 13.339 1.00 0.00 C ATOM 581 CG PRO A 40 10.411 -10.493 14.505 1.00 0.00 C ATOM 582 CD PRO A 40 9.673 -9.520 15.400 1.00 0.00 C ATOM 0 HA PRO A 40 7.409 -10.110 13.210 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.690 -11.739 12.919 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.692 -10.028 12.541 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.633 -11.419 15.036 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.364 -10.076 14.179 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.957 -9.634 16.446 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.872 -8.484 15.126 1.00 0.00 H new ATOM 590 N SER A 41 7.663 -12.588 15.254 1.00 0.00 N ATOM 591 CA SER A 41 7.061 -13.922 15.529 1.00 0.00 C ATOM 592 C SER A 41 5.559 -13.763 15.768 1.00 0.00 C ATOM 593 O SER A 41 4.780 -14.657 15.502 1.00 0.00 O ATOM 594 CB SER A 41 7.714 -14.529 16.772 1.00 0.00 C ATOM 595 OG SER A 41 7.531 -13.650 17.874 1.00 0.00 O ATOM 0 H SER A 41 8.206 -12.190 16.020 1.00 0.00 H new ATOM 0 HA SER A 41 7.226 -14.579 14.675 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.273 -15.502 16.990 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.777 -14.693 16.595 1.00 0.00 H new ATOM 0 HG SER A 41 7.947 -14.036 18.673 1.00 0.00 H new ATOM 601 N GLY A 42 5.144 -12.631 16.269 1.00 0.00 N ATOM 602 CA GLY A 42 3.688 -12.405 16.498 1.00 0.00 C ATOM 603 C GLY A 42 3.424 -12.258 17.998 1.00 0.00 C ATOM 604 O GLY A 42 2.292 -12.206 18.435 1.00 0.00 O ATOM 0 H GLY A 42 5.750 -11.853 16.530 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.361 -11.509 15.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.112 -13.239 16.097 1.00 0.00 H new ATOM 608 N LYS A 43 4.460 -12.190 18.788 1.00 0.00 N ATOM 609 CA LYS A 43 4.266 -12.046 20.259 1.00 0.00 C ATOM 610 C LYS A 43 3.824 -10.616 20.578 1.00 0.00 C ATOM 611 O LYS A 43 4.272 -9.668 19.965 1.00 0.00 O ATOM 612 CB LYS A 43 5.583 -12.346 20.978 1.00 0.00 C ATOM 613 CG LYS A 43 5.371 -12.254 22.490 1.00 0.00 C ATOM 614 CD LYS A 43 4.391 -13.342 22.936 1.00 0.00 C ATOM 615 CE LYS A 43 4.577 -13.616 24.429 1.00 0.00 C ATOM 616 NZ LYS A 43 3.571 -14.621 24.878 1.00 0.00 N ATOM 0 H LYS A 43 5.431 -12.228 18.479 1.00 0.00 H new ATOM 0 HA LYS A 43 3.501 -12.746 20.595 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.938 -13.341 20.710 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.350 -11.639 20.664 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.322 -12.372 23.009 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.983 -11.270 22.754 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.367 -13.027 22.738 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.560 -14.255 22.364 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.585 -13.984 24.619 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.463 -12.692 24.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.697 -14.808 25.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.613 -14.252 24.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.701 -15.504 24.345 1.00 0.00 H new ATOM 630 N LYS A 44 2.948 -10.454 21.531 1.00 0.00 N ATOM 631 CA LYS A 44 2.464 -9.088 21.874 1.00 0.00 C ATOM 632 C LYS A 44 3.311 -8.517 23.013 1.00 0.00 C ATOM 633 O LYS A 44 3.601 -9.192 23.982 1.00 0.00 O ATOM 634 CB LYS A 44 1.001 -9.161 22.315 1.00 0.00 C ATOM 635 CG LYS A 44 0.485 -7.751 22.610 1.00 0.00 C ATOM 636 CD LYS A 44 -0.998 -7.817 22.979 1.00 0.00 C ATOM 637 CE LYS A 44 -1.529 -6.401 23.217 1.00 0.00 C ATOM 638 NZ LYS A 44 -2.978 -6.465 23.559 1.00 0.00 N ATOM 0 H LYS A 44 2.547 -11.209 22.087 1.00 0.00 H new ATOM 0 HA LYS A 44 2.549 -8.443 20.999 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.398 -9.624 21.534 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.909 -9.787 23.203 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.054 -7.307 23.427 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.626 -7.111 21.739 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.561 -8.298 22.180 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.134 -8.423 23.875 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.974 -5.924 24.025 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.381 -5.791 22.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.339 -5.503 23.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.501 -6.904 22.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.107 -7.033 24.421 1.00 0.00 H new ATOM 652 N PHE A 45 3.712 -7.280 22.905 1.00 0.00 N ATOM 653 CA PHE A 45 4.512 -6.658 23.998 1.00 0.00 C ATOM 654 C PHE A 45 3.919 -5.292 24.349 1.00 0.00 C ATOM 655 O PHE A 45 3.159 -4.721 23.593 1.00 0.00 O ATOM 656 CB PHE A 45 5.959 -6.482 23.535 1.00 0.00 C ATOM 657 CG PHE A 45 6.616 -7.836 23.411 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.671 -8.692 24.517 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.170 -8.235 22.188 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.280 -9.947 24.401 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.779 -9.490 22.072 1.00 0.00 C ATOM 662 CZ PHE A 45 7.834 -10.346 23.179 1.00 0.00 C ATOM 0 H PHE A 45 3.520 -6.673 22.108 1.00 0.00 H new ATOM 0 HA PHE A 45 4.488 -7.302 24.877 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.985 -5.964 22.576 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.507 -5.864 24.246 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.244 -8.384 25.460 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.127 -7.574 21.335 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.322 -10.608 25.254 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.206 -9.798 21.129 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.304 -11.314 23.090 1.00 0.00 H new ATOM 672 N ARG A 46 4.263 -4.762 25.491 1.00 0.00 N ATOM 673 CA ARG A 46 3.710 -3.440 25.897 1.00 0.00 C ATOM 674 C ARG A 46 4.735 -2.700 26.758 1.00 0.00 C ATOM 675 O ARG A 46 5.155 -3.181 27.792 1.00 0.00 O ATOM 676 CB ARG A 46 2.424 -3.648 26.701 1.00 0.00 C ATOM 677 CG ARG A 46 2.270 -5.132 27.040 1.00 0.00 C ATOM 678 CD ARG A 46 1.031 -5.330 27.914 1.00 0.00 C ATOM 679 NE ARG A 46 1.320 -4.864 29.300 1.00 0.00 N ATOM 680 CZ ARG A 46 0.344 -4.690 30.148 1.00 0.00 C ATOM 681 NH1 ARG A 46 -0.887 -4.925 29.783 1.00 0.00 N ATOM 682 NH2 ARG A 46 0.597 -4.282 31.361 1.00 0.00 N ATOM 0 H ARG A 46 4.904 -5.188 26.161 1.00 0.00 H new ATOM 0 HA ARG A 46 3.490 -2.851 25.007 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.454 -3.056 27.616 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.564 -3.304 26.127 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.180 -5.717 26.125 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.157 -5.491 27.562 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.189 -4.775 27.501 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.745 -6.382 27.925 1.00 0.00 H new ATOM 0 HE ARG A 46 2.282 -4.681 29.586 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.086 -5.245 28.835 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.650 -4.789 30.446 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.559 -4.099 31.647 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.167 -4.146 32.023 1.00 0.00 H new ATOM 696 N SER A 47 5.143 -1.533 26.339 1.00 0.00 N ATOM 697 CA SER A 47 6.070 -0.723 27.178 1.00 0.00 C ATOM 698 C SER A 47 7.502 -0.893 26.666 1.00 0.00 C ATOM 699 O SER A 47 7.891 -1.956 26.224 1.00 0.00 O ATOM 700 CB SER A 47 5.990 -1.196 28.630 1.00 0.00 C ATOM 701 OG SER A 47 4.639 -1.507 28.947 1.00 0.00 O ATOM 0 H SER A 47 4.874 -1.106 25.452 1.00 0.00 H new ATOM 0 HA SER A 47 5.785 0.328 27.122 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.621 -2.073 28.775 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.364 -0.421 29.299 1.00 0.00 H new ATOM 0 HG SER A 47 4.531 -2.480 29.000 1.00 0.00 H new ATOM 707 N LYS A 48 8.289 0.146 26.721 1.00 0.00 N ATOM 708 CA LYS A 48 9.696 0.041 26.240 1.00 0.00 C ATOM 709 C LYS A 48 10.413 -1.079 26.997 1.00 0.00 C ATOM 710 O LYS A 48 11.050 -1.929 26.408 1.00 0.00 O ATOM 711 CB LYS A 48 10.419 1.367 26.487 1.00 0.00 C ATOM 712 CG LYS A 48 11.931 1.140 26.449 1.00 0.00 C ATOM 713 CD LYS A 48 12.647 2.489 26.364 1.00 0.00 C ATOM 714 CE LYS A 48 13.165 2.881 27.749 1.00 0.00 C ATOM 715 NZ LYS A 48 12.042 2.845 28.727 1.00 0.00 N ATOM 0 H LYS A 48 8.019 1.063 27.078 1.00 0.00 H new ATOM 0 HA LYS A 48 9.699 -0.182 25.173 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.131 2.097 25.730 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.127 1.778 27.453 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.251 0.602 27.341 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.195 0.521 25.591 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.475 2.429 25.658 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.964 3.252 25.990 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.955 2.198 28.061 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.602 3.879 27.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.282 3.430 29.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.179 3.215 28.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.880 1.864 29.033 1.00 0.00 H new ATOM 729 N PRO A 49 10.306 -1.074 28.297 1.00 0.00 N ATOM 730 CA PRO A 49 10.945 -2.104 29.165 1.00 0.00 C ATOM 731 C PRO A 49 10.603 -3.531 28.721 1.00 0.00 C ATOM 732 O PRO A 49 11.393 -4.442 28.868 1.00 0.00 O ATOM 733 CB PRO A 49 10.365 -1.823 30.551 1.00 0.00 C ATOM 734 CG PRO A 49 9.211 -0.901 30.320 1.00 0.00 C ATOM 735 CD PRO A 49 9.561 -0.079 29.084 1.00 0.00 C ATOM 0 HA PRO A 49 12.033 -2.045 29.128 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.041 -2.744 31.035 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.109 -1.365 31.203 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.290 -1.462 30.165 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.050 -0.256 31.183 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.675 0.282 28.562 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.166 0.795 29.326 1.00 0.00 H new ATOM 743 N GLN A 50 9.432 -3.730 28.183 1.00 0.00 N ATOM 744 CA GLN A 50 9.050 -5.091 27.712 1.00 0.00 C ATOM 745 C GLN A 50 9.815 -5.424 26.429 1.00 0.00 C ATOM 746 O GLN A 50 10.447 -6.456 26.322 1.00 0.00 O ATOM 747 CB GLN A 50 7.546 -5.131 27.433 1.00 0.00 C ATOM 748 CG GLN A 50 7.131 -6.562 27.081 1.00 0.00 C ATOM 749 CD GLN A 50 7.314 -7.463 28.302 1.00 0.00 C ATOM 750 OE1 GLN A 50 6.826 -7.161 29.373 1.00 0.00 O ATOM 751 NE2 GLN A 50 8.003 -8.565 28.187 1.00 0.00 N ATOM 0 H GLN A 50 8.723 -3.009 28.049 1.00 0.00 H new ATOM 0 HA GLN A 50 9.298 -5.822 28.481 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.994 -4.785 28.307 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.299 -4.457 26.613 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.091 -6.580 26.755 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.732 -6.932 26.250 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.413 -8.819 27.288 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.132 -9.173 28.996 1.00 0.00 H new ATOM 760 N LEU A 51 9.762 -4.558 25.454 1.00 0.00 N ATOM 761 CA LEU A 51 10.511 -4.812 24.191 1.00 0.00 C ATOM 762 C LEU A 51 12.015 -4.793 24.476 1.00 0.00 C ATOM 763 O LEU A 51 12.758 -5.623 23.992 1.00 0.00 O ATOM 764 CB LEU A 51 10.170 -3.725 23.170 1.00 0.00 C ATOM 765 CG LEU A 51 9.869 -4.371 21.818 1.00 0.00 C ATOM 766 CD1 LEU A 51 11.041 -5.262 21.403 1.00 0.00 C ATOM 767 CD2 LEU A 51 8.601 -5.220 21.930 1.00 0.00 C ATOM 0 H LEU A 51 9.233 -3.686 25.477 1.00 0.00 H new ATOM 0 HA LEU A 51 10.231 -5.787 23.791 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.309 -3.150 23.510 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.002 -3.027 23.074 1.00 0.00 H new ATOM 0 HG LEU A 51 9.722 -3.592 21.070 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.825 -5.722 20.439 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.946 -4.659 21.323 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.189 -6.041 22.151 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.386 -5.681 20.966 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.749 -5.998 22.679 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.764 -4.587 22.224 1.00 0.00 H new ATOM 779 N ALA A 52 12.469 -3.850 25.256 1.00 0.00 N ATOM 780 CA ALA A 52 13.921 -3.788 25.583 1.00 0.00 C ATOM 781 C ALA A 52 14.382 -5.142 26.127 1.00 0.00 C ATOM 782 O ALA A 52 15.441 -5.630 25.789 1.00 0.00 O ATOM 783 CB ALA A 52 14.159 -2.709 26.641 1.00 0.00 C ATOM 0 H ALA A 52 11.897 -3.120 25.681 1.00 0.00 H new ATOM 0 HA ALA A 52 14.485 -3.547 24.682 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.221 -2.663 26.881 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.832 -1.743 26.256 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.594 -2.951 27.541 1.00 0.00 H new ATOM 789 N ARG A 53 13.595 -5.751 26.972 1.00 0.00 N ATOM 790 CA ARG A 53 13.985 -7.076 27.533 1.00 0.00 C ATOM 791 C ARG A 53 14.008 -8.120 26.415 1.00 0.00 C ATOM 792 O ARG A 53 14.837 -9.008 26.400 1.00 0.00 O ATOM 793 CB ARG A 53 12.973 -7.493 28.601 1.00 0.00 C ATOM 794 CG ARG A 53 13.407 -8.822 29.222 1.00 0.00 C ATOM 795 CD ARG A 53 12.345 -9.294 30.217 1.00 0.00 C ATOM 796 NE ARG A 53 13.009 -9.752 31.470 1.00 0.00 N ATOM 797 CZ ARG A 53 14.011 -10.587 31.407 1.00 0.00 C ATOM 798 NH1 ARG A 53 14.435 -11.013 30.249 1.00 0.00 N ATOM 799 NH2 ARG A 53 14.589 -10.995 32.503 1.00 0.00 N ATOM 0 H ARG A 53 12.699 -5.388 27.298 1.00 0.00 H new ATOM 0 HA ARG A 53 14.977 -7.004 27.979 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.903 -6.725 29.371 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.982 -7.592 28.159 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.548 -9.571 28.442 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.366 -8.703 29.727 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.650 -8.483 30.436 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.761 -10.106 29.784 1.00 0.00 H new ATOM 0 HE ARG A 53 12.682 -9.414 32.375 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.984 -10.694 29.392 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.218 -11.665 30.201 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.258 -10.662 33.409 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.372 -11.647 32.454 1.00 0.00 H new ATOM 813 N TYR A 54 13.104 -8.022 25.479 1.00 0.00 N ATOM 814 CA TYR A 54 13.060 -9.027 24.379 1.00 0.00 C ATOM 815 C TYR A 54 14.350 -8.944 23.560 1.00 0.00 C ATOM 816 O TYR A 54 15.035 -9.927 23.362 1.00 0.00 O ATOM 817 CB TYR A 54 11.862 -8.740 23.473 1.00 0.00 C ATOM 818 CG TYR A 54 11.875 -9.696 22.304 1.00 0.00 C ATOM 819 CD1 TYR A 54 12.586 -9.372 21.142 1.00 0.00 C ATOM 820 CD2 TYR A 54 11.176 -10.906 22.381 1.00 0.00 C ATOM 821 CE1 TYR A 54 12.599 -10.258 20.059 1.00 0.00 C ATOM 822 CE2 TYR A 54 11.188 -11.793 21.298 1.00 0.00 C ATOM 823 CZ TYR A 54 11.900 -11.469 20.137 1.00 0.00 C ATOM 824 OH TYR A 54 11.912 -12.342 19.068 1.00 0.00 O ATOM 0 H TYR A 54 12.395 -7.291 25.428 1.00 0.00 H new ATOM 0 HA TYR A 54 12.963 -10.026 24.804 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.934 -8.848 24.034 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.901 -7.711 23.116 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.125 -8.438 21.082 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.627 -11.156 23.277 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.148 -10.008 19.163 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.648 -12.727 21.358 1.00 0.00 H new ATOM 0 HH TYR A 54 11.379 -13.135 19.287 1.00 0.00 H new ATOM 834 N LEU A 55 14.685 -7.778 23.080 1.00 0.00 N ATOM 835 CA LEU A 55 15.912 -7.640 22.247 1.00 0.00 C ATOM 836 C LEU A 55 17.152 -7.836 23.123 1.00 0.00 C ATOM 837 O LEU A 55 18.222 -8.148 22.639 1.00 0.00 O ATOM 838 CB LEU A 55 15.948 -6.244 21.619 1.00 0.00 C ATOM 839 CG LEU A 55 15.850 -5.187 22.719 1.00 0.00 C ATOM 840 CD1 LEU A 55 17.253 -4.706 23.092 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.023 -4.002 22.214 1.00 0.00 C ATOM 0 H LEU A 55 14.162 -6.915 23.229 1.00 0.00 H new ATOM 0 HA LEU A 55 15.901 -8.394 21.460 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.871 -6.112 21.054 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.124 -6.129 20.915 1.00 0.00 H new ATOM 0 HG LEU A 55 15.369 -5.620 23.596 1.00 0.00 H new ATOM 0 HD11 LEU A 55 17.183 -3.952 23.876 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.843 -5.549 23.451 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.734 -4.273 22.215 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.952 -3.247 22.997 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.504 -3.570 21.337 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.023 -4.344 21.948 1.00 0.00 H new ATOM 853 N GLY A 56 17.017 -7.655 24.408 1.00 0.00 N ATOM 854 CA GLY A 56 18.177 -7.882 25.317 1.00 0.00 C ATOM 855 C GLY A 56 19.250 -6.826 25.050 1.00 0.00 C ATOM 856 O GLY A 56 18.978 -5.642 25.031 1.00 0.00 O ATOM 0 H GLY A 56 16.155 -7.360 24.868 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.853 -7.832 26.357 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.587 -8.880 25.159 1.00 0.00 H new ATOM 860 N ASN A 57 20.468 -7.244 24.843 1.00 0.00 N ATOM 861 CA ASN A 57 21.559 -6.262 24.585 1.00 0.00 C ATOM 862 C ASN A 57 21.940 -6.299 23.104 1.00 0.00 C ATOM 863 O ASN A 57 23.087 -6.127 22.744 1.00 0.00 O ATOM 864 CB ASN A 57 22.780 -6.623 25.434 1.00 0.00 C ATOM 865 CG ASN A 57 22.464 -6.380 26.911 1.00 0.00 C ATOM 866 OD1 ASN A 57 21.873 -5.378 27.262 1.00 0.00 O ATOM 867 ND2 ASN A 57 22.837 -7.262 27.798 1.00 0.00 N ATOM 0 H ASN A 57 20.755 -8.223 24.841 1.00 0.00 H new ATOM 0 HA ASN A 57 21.216 -5.261 24.847 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.050 -7.667 25.276 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.638 -6.022 25.131 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.632 -7.110 28.786 1.00 0.00 H new ATOM 0 HD22 ASN A 57 23.333 -8.103 27.503 1.00 0.00 H new ATOM 874 N ALA A 58 20.987 -6.522 22.242 1.00 0.00 N ATOM 875 CA ALA A 58 21.294 -6.564 20.785 1.00 0.00 C ATOM 876 C ALA A 58 21.076 -5.176 20.178 1.00 0.00 C ATOM 877 O ALA A 58 21.642 -4.838 19.157 1.00 0.00 O ATOM 878 CB ALA A 58 20.371 -7.572 20.097 1.00 0.00 C ATOM 0 H ALA A 58 20.008 -6.677 22.484 1.00 0.00 H new ATOM 0 HA ALA A 58 22.332 -6.865 20.641 1.00 0.00 H new ATOM 0 HB1 ALA A 58 20.596 -7.603 19.031 1.00 0.00 H new ATOM 0 HB2 ALA A 58 20.526 -8.561 20.529 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.333 -7.272 20.240 1.00 0.00 H new ATOM 884 N VAL A 59 20.260 -4.369 20.798 1.00 0.00 N ATOM 885 CA VAL A 59 20.006 -3.004 20.258 1.00 0.00 C ATOM 886 C VAL A 59 19.799 -2.027 21.416 1.00 0.00 C ATOM 887 O VAL A 59 19.322 -2.393 22.472 1.00 0.00 O ATOM 888 CB VAL A 59 18.753 -3.028 19.380 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.571 -1.663 18.713 1.00 0.00 C ATOM 890 CG2 VAL A 59 18.906 -4.104 18.303 1.00 0.00 C ATOM 0 H VAL A 59 19.758 -4.596 21.656 1.00 0.00 H new ATOM 0 HA VAL A 59 20.861 -2.684 19.662 1.00 0.00 H new ATOM 0 HB VAL A 59 17.882 -3.251 19.996 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.679 -1.680 18.087 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.463 -0.895 19.479 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.442 -1.440 18.097 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.014 -4.122 17.677 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.777 -3.881 17.687 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.036 -5.077 18.777 1.00 0.00 H new ATOM 900 N ASP A 60 20.155 -0.786 21.229 1.00 0.00 N ATOM 901 CA ASP A 60 19.982 0.212 22.323 1.00 0.00 C ATOM 902 C ASP A 60 18.695 1.007 22.090 1.00 0.00 C ATOM 903 O ASP A 60 18.555 1.706 21.106 1.00 0.00 O ATOM 904 CB ASP A 60 21.177 1.169 22.334 1.00 0.00 C ATOM 905 CG ASP A 60 21.159 1.993 23.623 1.00 0.00 C ATOM 906 OD1 ASP A 60 20.119 2.036 24.260 1.00 0.00 O ATOM 907 OD2 ASP A 60 22.185 2.566 23.950 1.00 0.00 O ATOM 0 H ASP A 60 20.558 -0.420 20.367 1.00 0.00 H new ATOM 0 HA ASP A 60 19.921 -0.306 23.280 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.108 0.606 22.263 1.00 0.00 H new ATOM 0 HB3 ASP A 60 21.136 1.829 21.467 1.00 0.00 H new ATOM 912 N LEU A 61 17.754 0.906 22.988 1.00 0.00 N ATOM 913 CA LEU A 61 16.484 1.669 22.826 1.00 0.00 C ATOM 914 C LEU A 61 16.472 2.848 23.800 1.00 0.00 C ATOM 915 O LEU A 61 15.436 3.406 24.102 1.00 0.00 O ATOM 916 CB LEU A 61 15.296 0.751 23.121 1.00 0.00 C ATOM 917 CG LEU A 61 14.930 -0.031 21.859 1.00 0.00 C ATOM 918 CD1 LEU A 61 16.145 -0.826 21.379 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.784 -0.996 22.173 1.00 0.00 C ATOM 0 H LEU A 61 17.809 0.328 23.827 1.00 0.00 H new ATOM 0 HA LEU A 61 16.410 2.040 21.804 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.546 0.063 23.928 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.443 1.340 23.457 1.00 0.00 H new ATOM 0 HG LEU A 61 14.620 0.664 21.079 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.883 -1.383 20.479 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.963 -0.141 21.156 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.456 -1.521 22.159 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.522 -1.554 21.274 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.096 -1.690 22.953 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.917 -0.432 22.515 1.00 0.00 H new ATOM 931 N SER A 62 17.617 3.233 24.295 1.00 0.00 N ATOM 932 CA SER A 62 17.667 4.362 25.267 1.00 0.00 C ATOM 933 C SER A 62 17.000 5.594 24.652 1.00 0.00 C ATOM 934 O SER A 62 16.237 6.287 25.296 1.00 0.00 O ATOM 935 CB SER A 62 19.124 4.684 25.599 1.00 0.00 C ATOM 936 OG SER A 62 19.174 5.450 26.796 1.00 0.00 O ATOM 0 H SER A 62 18.519 2.815 24.068 1.00 0.00 H new ATOM 0 HA SER A 62 17.140 4.080 26.179 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.694 3.763 25.719 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.582 5.238 24.780 1.00 0.00 H new ATOM 0 HG SER A 62 20.107 5.657 27.013 1.00 0.00 H new ATOM 942 N CYS A 63 17.281 5.874 23.407 1.00 0.00 N ATOM 943 CA CYS A 63 16.649 7.050 22.747 1.00 0.00 C ATOM 944 C CYS A 63 15.296 6.638 22.161 1.00 0.00 C ATOM 945 O CYS A 63 14.809 7.234 21.220 1.00 0.00 O ATOM 946 CB CYS A 63 17.558 7.555 21.625 1.00 0.00 C ATOM 947 SG CYS A 63 17.545 9.364 21.607 1.00 0.00 S ATOM 0 H CYS A 63 17.921 5.339 22.820 1.00 0.00 H new ATOM 0 HA CYS A 63 16.502 7.843 23.480 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.574 7.189 21.773 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.217 7.169 20.664 1.00 0.00 H new ATOM 0 HG CYS A 63 18.319 9.794 20.655 1.00 0.00 H new ATOM 953 N PHE A 64 14.685 5.624 22.709 1.00 0.00 N ATOM 954 CA PHE A 64 13.368 5.171 22.179 1.00 0.00 C ATOM 955 C PHE A 64 12.242 5.801 23.001 1.00 0.00 C ATOM 956 O PHE A 64 12.169 5.632 24.203 1.00 0.00 O ATOM 957 CB PHE A 64 13.278 3.647 22.273 1.00 0.00 C ATOM 958 CG PHE A 64 12.114 3.159 21.442 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.158 3.265 20.048 1.00 0.00 C ATOM 960 CD2 PHE A 64 10.993 2.603 22.068 1.00 0.00 C ATOM 961 CE1 PHE A 64 11.080 2.813 19.277 1.00 0.00 C ATOM 962 CE2 PHE A 64 9.914 2.151 21.298 1.00 0.00 C ATOM 963 CZ PHE A 64 9.958 2.256 19.902 1.00 0.00 C ATOM 0 H PHE A 64 15.041 5.089 23.501 1.00 0.00 H new ATOM 0 HA PHE A 64 13.271 5.477 21.137 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.205 3.195 21.921 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.150 3.343 23.312 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.023 3.695 19.566 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.960 2.522 23.144 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.114 2.894 18.201 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.048 1.722 21.780 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.126 1.907 19.308 1.00 0.00 H new ATOM 973 N ASP A 65 11.365 6.528 22.365 1.00 0.00 N ATOM 974 CA ASP A 65 10.248 7.171 23.112 1.00 0.00 C ATOM 975 C ASP A 65 8.990 6.309 22.989 1.00 0.00 C ATOM 976 O ASP A 65 8.447 6.135 21.916 1.00 0.00 O ATOM 977 CB ASP A 65 9.976 8.558 22.528 1.00 0.00 C ATOM 978 CG ASP A 65 9.025 9.324 23.451 1.00 0.00 C ATOM 979 OD1 ASP A 65 8.455 8.701 24.331 1.00 0.00 O ATOM 980 OD2 ASP A 65 8.884 10.520 23.262 1.00 0.00 O ATOM 0 H ASP A 65 11.374 6.704 21.360 1.00 0.00 H new ATOM 0 HA ASP A 65 10.521 7.267 24.163 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.911 9.107 22.416 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.539 8.466 21.534 1.00 0.00 H new ATOM 985 N PHE A 66 8.520 5.770 24.080 1.00 0.00 N ATOM 986 CA PHE A 66 7.298 4.918 24.025 1.00 0.00 C ATOM 987 C PHE A 66 6.162 5.699 23.360 1.00 0.00 C ATOM 988 O PHE A 66 5.485 5.202 22.482 1.00 0.00 O ATOM 989 CB PHE A 66 6.884 4.526 25.444 1.00 0.00 C ATOM 990 CG PHE A 66 5.580 3.765 25.396 1.00 0.00 C ATOM 991 CD1 PHE A 66 5.584 2.383 25.168 1.00 0.00 C ATOM 992 CD2 PHE A 66 4.368 4.441 25.580 1.00 0.00 C ATOM 993 CE1 PHE A 66 4.376 1.678 25.124 1.00 0.00 C ATOM 994 CE2 PHE A 66 3.160 3.735 25.536 1.00 0.00 C ATOM 995 CZ PHE A 66 3.163 2.354 25.308 1.00 0.00 C ATOM 0 H PHE A 66 8.929 5.883 25.008 1.00 0.00 H new ATOM 0 HA PHE A 66 7.509 4.018 23.447 1.00 0.00 H new ATOM 0 HB2 PHE A 66 7.659 3.912 25.904 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.775 5.417 26.062 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.519 1.862 25.026 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.365 5.507 25.756 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.379 0.612 24.948 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.225 4.256 25.678 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.231 1.810 25.274 1.00 0.00 H new ATOM 1005 N ARG A 67 5.949 6.920 23.770 1.00 0.00 N ATOM 1006 CA ARG A 67 4.855 7.729 23.162 1.00 0.00 C ATOM 1007 C ARG A 67 4.786 7.447 21.660 1.00 0.00 C ATOM 1008 O ARG A 67 3.724 7.249 21.105 1.00 0.00 O ATOM 1009 CB ARG A 67 5.135 9.216 23.390 1.00 0.00 C ATOM 1010 CG ARG A 67 3.946 10.042 22.895 1.00 0.00 C ATOM 1011 CD ARG A 67 3.065 10.432 24.083 1.00 0.00 C ATOM 1012 NE ARG A 67 2.462 9.206 24.678 1.00 0.00 N ATOM 1013 CZ ARG A 67 1.608 8.500 23.989 1.00 0.00 C ATOM 1014 NH1 ARG A 67 1.283 8.866 22.778 1.00 0.00 N ATOM 1015 NH2 ARG A 67 1.079 7.426 24.509 1.00 0.00 N ATOM 0 H ARG A 67 6.485 7.392 24.499 1.00 0.00 H new ATOM 0 HA ARG A 67 3.905 7.462 23.625 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.307 9.406 24.449 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.041 9.511 22.862 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.299 10.936 22.382 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.367 9.468 22.172 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.657 10.959 24.831 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.280 11.115 23.759 1.00 0.00 H new ATOM 0 HE ARG A 67 2.717 8.919 25.623 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.697 9.704 22.370 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.615 8.313 22.240 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.333 7.139 25.454 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.411 6.874 23.970 1.00 0.00 H new ATOM 1029 N THR A 68 5.910 7.427 20.999 1.00 0.00 N ATOM 1030 CA THR A 68 5.905 7.185 19.529 1.00 0.00 C ATOM 1031 C THR A 68 7.076 6.274 19.157 1.00 0.00 C ATOM 1032 O THR A 68 6.960 5.412 18.308 1.00 0.00 O ATOM 1033 CB THR A 68 6.043 8.519 18.791 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.226 9.177 19.225 1.00 0.00 O ATOM 1035 CG2 THR A 68 4.828 9.399 19.091 1.00 0.00 C ATOM 0 H THR A 68 6.832 7.568 21.413 1.00 0.00 H new ATOM 0 HA THR A 68 4.968 6.707 19.244 1.00 0.00 H new ATOM 0 HB THR A 68 6.100 8.337 17.718 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.318 10.031 18.753 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.928 10.348 18.565 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.921 8.893 18.758 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.768 9.583 20.164 1.00 0.00 H new ATOM 1043 N GLY A 69 8.205 6.456 19.786 1.00 0.00 N ATOM 1044 CA GLY A 69 9.381 5.598 19.469 1.00 0.00 C ATOM 1045 C GLY A 69 10.253 6.290 18.420 1.00 0.00 C ATOM 1046 O GLY A 69 10.260 5.919 17.263 1.00 0.00 O ATOM 0 H GLY A 69 8.363 7.162 20.505 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.961 5.410 20.373 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.047 4.629 19.098 1.00 0.00 H new ATOM 1050 N LYS A 70 10.987 7.294 18.814 1.00 0.00 N ATOM 1051 CA LYS A 70 11.857 8.009 17.838 1.00 0.00 C ATOM 1052 C LYS A 70 13.326 7.790 18.208 1.00 0.00 C ATOM 1053 O LYS A 70 13.643 7.349 19.295 1.00 0.00 O ATOM 1054 CB LYS A 70 11.540 9.506 17.873 1.00 0.00 C ATOM 1055 CG LYS A 70 11.864 10.064 19.259 1.00 0.00 C ATOM 1056 CD LYS A 70 11.513 11.553 19.305 1.00 0.00 C ATOM 1057 CE LYS A 70 10.054 11.722 19.732 1.00 0.00 C ATOM 1058 NZ LYS A 70 9.901 11.304 21.154 1.00 0.00 N ATOM 0 H LYS A 70 11.022 7.650 19.769 1.00 0.00 H new ATOM 0 HA LYS A 70 11.673 7.622 16.836 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.121 10.029 17.114 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.488 9.671 17.640 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.302 9.523 20.021 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.921 9.922 19.482 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.170 12.071 20.004 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.671 12.005 18.326 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.747 12.761 19.612 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.405 11.122 19.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.184 10.553 21.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.810 10.947 21.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.601 12.120 21.725 1.00 0.00 H new ATOM 1072 N MET A 71 14.224 8.096 17.312 1.00 0.00 N ATOM 1073 CA MET A 71 15.672 7.916 17.617 1.00 0.00 C ATOM 1074 C MET A 71 16.378 9.271 17.554 1.00 0.00 C ATOM 1075 O MET A 71 16.242 10.009 16.599 1.00 0.00 O ATOM 1076 CB MET A 71 16.295 6.966 16.591 1.00 0.00 C ATOM 1077 CG MET A 71 17.707 6.586 17.039 1.00 0.00 C ATOM 1078 SD MET A 71 18.317 5.221 16.019 1.00 0.00 S ATOM 1079 CE MET A 71 18.083 3.905 17.238 1.00 0.00 C ATOM 0 H MET A 71 14.018 8.463 16.383 1.00 0.00 H new ATOM 0 HA MET A 71 15.784 7.495 18.616 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.681 6.071 16.489 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.329 7.443 15.611 1.00 0.00 H new ATOM 0 HG2 MET A 71 18.372 7.445 16.951 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.701 6.295 18.089 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.402 2.954 16.812 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.676 4.122 18.126 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.030 3.845 17.511 1.00 0.00 H new