USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 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 180:sc= 0.214 USER MOD Set 1.2: A 41 SER OG : rot -74:sc= 0.368 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -163:sc= -3.51 (180deg=-4.16!) USER MOD Set 2.2: A 37 TYR OH : rot 176:sc= 0.176 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 63:sc= 0.0201 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -16:sc= 0.557! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -1.29 (180deg=-1.59) USER MOD Single : A 33 SER OG : rot 14:sc= 1.07 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 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 -103:sc= -1.6! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.2) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.27! C(o=-2.3!,f=-11!) 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 -86:sc= 0.0093 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -3.722 1.231 11.039 1.00 0.00 N ATOM 53 CA GLY A 6 -3.286 1.573 12.422 1.00 0.00 C ATOM 54 C GLY A 6 -1.876 1.032 12.662 1.00 0.00 C ATOM 55 O GLY A 6 -1.119 1.571 13.444 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.301 2.654 12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.978 1.148 13.148 1.00 0.00 H new ATOM 59 N ARG A 7 -1.517 -0.031 11.995 1.00 0.00 N ATOM 60 CA ARG A 7 -0.160 -0.613 12.196 1.00 0.00 C ATOM 61 C ARG A 7 0.835 0.073 11.258 1.00 0.00 C ATOM 62 O ARG A 7 0.530 0.360 10.117 1.00 0.00 O ATOM 63 CB ARG A 7 -0.199 -2.112 11.890 1.00 0.00 C ATOM 64 CG ARG A 7 1.229 -2.657 11.824 1.00 0.00 C ATOM 65 CD ARG A 7 1.636 -2.846 10.361 1.00 0.00 C ATOM 66 NE ARG A 7 3.073 -3.235 10.292 1.00 0.00 N ATOM 67 CZ ARG A 7 3.567 -3.714 9.184 1.00 0.00 C ATOM 68 NH1 ARG A 7 2.803 -3.852 8.135 1.00 0.00 N ATOM 69 NH2 ARG A 7 4.826 -4.053 9.123 1.00 0.00 N ATOM 0 H ARG A 7 -2.104 -0.521 11.320 1.00 0.00 H new ATOM 0 HA ARG A 7 0.151 -0.460 13.229 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.764 -2.637 12.660 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.711 -2.288 10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.915 -1.969 12.318 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.292 -3.606 12.356 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.018 -3.614 9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.471 -1.924 9.804 1.00 0.00 H new ATOM 0 HE ARG A 7 3.670 -3.127 11.112 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.820 -3.585 8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.189 -4.227 7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.424 -3.943 9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.212 -4.428 8.256 1.00 0.00 H new ATOM 83 N THR A 8 2.022 0.338 11.729 1.00 0.00 N ATOM 84 CA THR A 8 3.033 1.011 10.867 1.00 0.00 C ATOM 85 C THR A 8 4.416 0.421 11.149 1.00 0.00 C ATOM 86 O THR A 8 4.679 -0.084 12.222 1.00 0.00 O ATOM 87 CB THR A 8 3.046 2.511 11.172 1.00 0.00 C ATOM 88 OG1 THR A 8 3.475 2.717 12.511 1.00 0.00 O ATOM 89 CG2 THR A 8 1.640 3.084 10.991 1.00 0.00 C ATOM 0 H THR A 8 2.336 0.117 12.674 1.00 0.00 H new ATOM 0 HA THR A 8 2.778 0.856 9.819 1.00 0.00 H new ATOM 0 HB THR A 8 3.731 3.014 10.489 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.485 3.677 12.707 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.652 4.152 11.209 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.312 2.927 9.963 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.952 2.582 11.672 1.00 0.00 H new ATOM 97 N ASP A 9 5.302 0.480 10.193 1.00 0.00 N ATOM 98 CA ASP A 9 6.674 -0.057 10.416 1.00 0.00 C ATOM 99 C ASP A 9 7.439 0.873 11.359 1.00 0.00 C ATOM 100 O ASP A 9 7.147 2.048 11.460 1.00 0.00 O ATOM 101 CB ASP A 9 7.413 -0.143 9.077 1.00 0.00 C ATOM 102 CG ASP A 9 6.861 -1.316 8.265 1.00 0.00 C ATOM 103 OD1 ASP A 9 6.222 -2.171 8.855 1.00 0.00 O ATOM 104 OD2 ASP A 9 7.087 -1.339 7.066 1.00 0.00 O ATOM 0 H ASP A 9 5.135 0.876 9.268 1.00 0.00 H new ATOM 0 HA ASP A 9 6.607 -1.050 10.859 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.291 0.787 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.482 -0.275 9.247 1.00 0.00 H new ATOM 109 N CYS A 10 8.417 0.357 12.052 1.00 0.00 N ATOM 110 CA CYS A 10 9.203 1.213 12.985 1.00 0.00 C ATOM 111 C CYS A 10 10.641 1.332 12.480 1.00 0.00 C ATOM 112 O CYS A 10 11.312 0.345 12.249 1.00 0.00 O ATOM 113 CB CYS A 10 9.203 0.581 14.379 1.00 0.00 C ATOM 114 SG CYS A 10 10.046 1.682 15.541 1.00 0.00 S ATOM 0 H CYS A 10 8.706 -0.620 12.012 1.00 0.00 H new ATOM 0 HA CYS A 10 8.753 2.204 13.035 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.180 0.402 14.709 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.703 -0.387 14.351 1.00 0.00 H new ATOM 0 HG CYS A 10 9.390 2.800 15.633 1.00 0.00 H new ATOM 120 N PRO A 11 11.108 2.538 12.309 1.00 0.00 N ATOM 121 CA PRO A 11 12.487 2.810 11.813 1.00 0.00 C ATOM 122 C PRO A 11 13.554 2.502 12.868 1.00 0.00 C ATOM 123 O PRO A 11 14.703 2.264 12.552 1.00 0.00 O ATOM 124 CB PRO A 11 12.472 4.304 11.488 1.00 0.00 C ATOM 125 CG PRO A 11 11.396 4.887 12.344 1.00 0.00 C ATOM 126 CD PRO A 11 10.365 3.780 12.573 1.00 0.00 C ATOM 0 HA PRO A 11 12.739 2.183 10.958 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.437 4.762 11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.268 4.474 10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.804 5.238 13.292 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.938 5.747 11.856 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.975 3.803 13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.512 3.885 11.902 1.00 0.00 H new ATOM 134 N ALA A 12 13.183 2.505 14.119 1.00 0.00 N ATOM 135 CA ALA A 12 14.176 2.215 15.191 1.00 0.00 C ATOM 136 C ALA A 12 14.328 0.701 15.349 1.00 0.00 C ATOM 137 O ALA A 12 15.346 0.213 15.800 1.00 0.00 O ATOM 138 CB ALA A 12 13.693 2.820 16.511 1.00 0.00 C ATOM 0 H ALA A 12 12.235 2.696 14.445 1.00 0.00 H new ATOM 0 HA ALA A 12 15.138 2.651 14.923 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.419 2.608 17.296 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.585 3.899 16.399 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.731 2.385 16.780 1.00 0.00 H new ATOM 144 N LEU A 13 13.323 -0.047 14.984 1.00 0.00 N ATOM 145 CA LEU A 13 13.414 -1.530 15.107 1.00 0.00 C ATOM 146 C LEU A 13 13.723 -2.138 13.739 1.00 0.00 C ATOM 147 O LEU A 13 13.304 -1.632 12.716 1.00 0.00 O ATOM 148 CB LEU A 13 12.083 -2.082 15.623 1.00 0.00 C ATOM 149 CG LEU A 13 11.704 -1.369 16.923 1.00 0.00 C ATOM 150 CD1 LEU A 13 10.283 -1.766 17.327 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.681 -1.776 18.028 1.00 0.00 C ATOM 0 H LEU A 13 12.443 0.304 14.606 1.00 0.00 H new ATOM 0 HA LEU A 13 14.209 -1.788 15.806 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.303 -1.937 14.876 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.164 -3.155 15.795 1.00 0.00 H new ATOM 0 HG LEU A 13 11.751 -0.290 16.774 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.013 -1.258 18.253 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.587 -1.478 16.539 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.235 -2.845 17.477 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.413 -1.269 18.955 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.633 -2.855 18.177 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.694 -1.494 17.740 1.00 0.00 H new ATOM 163 N PRO A 14 14.452 -3.220 13.724 1.00 0.00 N ATOM 164 CA PRO A 14 14.843 -3.916 12.464 1.00 0.00 C ATOM 165 C PRO A 14 13.631 -4.253 11.591 1.00 0.00 C ATOM 166 O PRO A 14 12.501 -4.209 12.037 1.00 0.00 O ATOM 167 CB PRO A 14 15.526 -5.198 12.947 1.00 0.00 C ATOM 168 CG PRO A 14 15.235 -5.281 14.408 1.00 0.00 C ATOM 169 CD PRO A 14 14.986 -3.897 14.915 1.00 0.00 C ATOM 0 HA PRO A 14 15.484 -3.292 11.841 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.140 -6.070 12.420 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.600 -5.164 12.762 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.365 -5.913 14.587 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.073 -5.734 14.937 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.275 -3.888 15.741 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.900 -3.425 15.276 1.00 0.00 H new ATOM 177 N PRO A 15 13.871 -4.589 10.353 1.00 0.00 N ATOM 178 CA PRO A 15 12.789 -4.902 9.376 1.00 0.00 C ATOM 179 C PRO A 15 11.905 -6.062 9.843 1.00 0.00 C ATOM 180 O PRO A 15 12.380 -7.143 10.123 1.00 0.00 O ATOM 181 CB PRO A 15 13.549 -5.286 8.105 1.00 0.00 C ATOM 182 CG PRO A 15 14.939 -5.601 8.552 1.00 0.00 C ATOM 183 CD PRO A 15 15.207 -4.707 9.749 1.00 0.00 C ATOM 0 HA PRO A 15 12.109 -4.061 9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.089 -6.146 7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.544 -4.469 7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.033 -6.653 8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.658 -5.411 7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.927 -5.152 10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.607 -3.737 9.452 1.00 0.00 H new ATOM 191 N GLY A 16 10.621 -5.843 9.927 1.00 0.00 N ATOM 192 CA GLY A 16 9.707 -6.935 10.367 1.00 0.00 C ATOM 193 C GLY A 16 8.948 -6.492 11.619 1.00 0.00 C ATOM 194 O GLY A 16 7.815 -6.873 11.838 1.00 0.00 O ATOM 0 H GLY A 16 10.166 -4.956 9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.004 -7.179 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.278 -7.840 10.576 1.00 0.00 H new ATOM 198 N TRP A 17 9.564 -5.691 12.445 1.00 0.00 N ATOM 199 CA TRP A 17 8.880 -5.229 13.685 1.00 0.00 C ATOM 200 C TRP A 17 7.625 -4.437 13.309 1.00 0.00 C ATOM 201 O TRP A 17 7.633 -3.643 12.391 1.00 0.00 O ATOM 202 CB TRP A 17 9.826 -4.333 14.487 1.00 0.00 C ATOM 203 CG TRP A 17 10.741 -5.184 15.308 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.903 -5.720 14.872 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.590 -5.606 16.695 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.476 -6.444 15.903 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.704 -6.403 17.047 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.605 -5.374 17.672 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.837 -6.952 18.323 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.735 -5.926 18.957 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.849 -6.713 19.281 1.00 0.00 C ATOM 0 H TRP A 17 10.512 -5.337 12.314 1.00 0.00 H new ATOM 0 HA TRP A 17 8.599 -6.092 14.288 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.406 -3.702 13.813 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.254 -3.667 15.133 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.317 -5.602 13.881 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.360 -6.946 15.827 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.744 -4.768 17.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.697 -7.557 18.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.972 -5.743 19.700 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.943 -7.134 20.271 1.00 0.00 H new ATOM 222 N LYS A 18 6.546 -4.648 14.013 1.00 0.00 N ATOM 223 CA LYS A 18 5.288 -3.922 13.683 1.00 0.00 C ATOM 224 C LYS A 18 4.843 -3.097 14.893 1.00 0.00 C ATOM 225 O LYS A 18 5.011 -3.501 16.027 1.00 0.00 O ATOM 226 CB LYS A 18 4.195 -4.931 13.324 1.00 0.00 C ATOM 227 CG LYS A 18 4.610 -5.709 12.074 1.00 0.00 C ATOM 228 CD LYS A 18 3.654 -6.887 11.865 1.00 0.00 C ATOM 229 CE LYS A 18 2.368 -6.389 11.204 1.00 0.00 C ATOM 230 NZ LYS A 18 1.489 -7.551 10.890 1.00 0.00 N ATOM 0 H LYS A 18 6.482 -5.292 14.802 1.00 0.00 H new ATOM 0 HA LYS A 18 5.463 -3.259 12.835 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.032 -5.617 14.155 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.252 -4.414 13.147 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.593 -5.054 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.633 -6.071 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.126 -7.646 11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.425 -7.358 12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.850 -5.696 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.604 -5.841 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.614 -7.213 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.985 -8.196 10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.254 -8.056 11.768 1.00 0.00 H new ATOM 244 N LYS A 19 4.278 -1.944 14.662 1.00 0.00 N ATOM 245 CA LYS A 19 3.819 -1.098 15.799 1.00 0.00 C ATOM 246 C LYS A 19 2.400 -0.597 15.523 1.00 0.00 C ATOM 247 O LYS A 19 2.067 -0.224 14.415 1.00 0.00 O ATOM 248 CB LYS A 19 4.760 0.098 15.956 1.00 0.00 C ATOM 249 CG LYS A 19 4.121 1.131 16.886 1.00 0.00 C ATOM 250 CD LYS A 19 3.503 2.256 16.052 1.00 0.00 C ATOM 251 CE LYS A 19 2.644 3.146 16.953 1.00 0.00 C ATOM 252 NZ LYS A 19 3.492 3.720 18.035 1.00 0.00 N ATOM 0 H LYS A 19 4.114 -1.551 13.735 1.00 0.00 H new ATOM 0 HA LYS A 19 3.824 -1.688 16.716 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.717 -0.230 16.362 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.963 0.545 14.983 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.356 0.658 17.501 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.870 1.537 17.565 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.288 2.847 15.581 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.895 1.837 15.250 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.191 3.946 16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.828 2.566 17.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.884 4.079 18.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.122 2.982 18.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.063 4.500 17.652 1.00 0.00 H new ATOM 266 N GLU A 20 1.560 -0.585 16.522 1.00 0.00 N ATOM 267 CA GLU A 20 0.165 -0.102 16.318 1.00 0.00 C ATOM 268 C GLU A 20 -0.179 0.930 17.393 1.00 0.00 C ATOM 269 O GLU A 20 0.394 0.940 18.463 1.00 0.00 O ATOM 270 CB GLU A 20 -0.802 -1.284 16.417 1.00 0.00 C ATOM 271 CG GLU A 20 -2.125 -0.919 15.740 1.00 0.00 C ATOM 272 CD GLU A 20 -2.917 0.028 16.645 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.594 0.101 17.819 1.00 0.00 O ATOM 274 OE2 GLU A 20 -3.833 0.662 16.148 1.00 0.00 O ATOM 0 H GLU A 20 1.780 -0.889 17.471 1.00 0.00 H new ATOM 0 HA GLU A 20 0.079 0.357 15.333 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.368 -2.163 15.941 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.975 -1.540 17.462 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.934 -0.445 14.777 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.705 -1.820 15.542 1.00 0.00 H new ATOM 281 N GLU A 21 -1.111 1.801 17.115 1.00 0.00 N ATOM 282 CA GLU A 21 -1.486 2.836 18.121 1.00 0.00 C ATOM 283 C GLU A 21 -2.993 2.780 18.373 1.00 0.00 C ATOM 284 O GLU A 21 -3.791 3.015 17.487 1.00 0.00 O ATOM 285 CB GLU A 21 -1.108 4.220 17.590 1.00 0.00 C ATOM 286 CG GLU A 21 -1.353 5.268 18.678 1.00 0.00 C ATOM 287 CD GLU A 21 -0.881 6.638 18.184 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.612 6.758 17.002 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.800 7.542 18.999 1.00 0.00 O ATOM 0 H GLU A 21 -1.628 1.841 16.237 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.956 2.646 19.054 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.061 4.232 17.288 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.698 4.455 16.704 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.413 5.306 18.929 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.819 4.994 19.588 1.00 0.00 H new ATOM 296 N VAL A 22 -3.392 2.472 19.577 1.00 0.00 N ATOM 297 CA VAL A 22 -4.847 2.395 19.885 1.00 0.00 C ATOM 298 C VAL A 22 -5.254 3.603 20.731 1.00 0.00 C ATOM 299 O VAL A 22 -4.630 3.912 21.726 1.00 0.00 O ATOM 300 CB VAL A 22 -5.138 1.108 20.658 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.623 1.055 21.021 1.00 0.00 C ATOM 302 CG2 VAL A 22 -4.783 -0.101 19.789 1.00 0.00 C ATOM 0 H VAL A 22 -2.772 2.270 20.361 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.416 2.395 18.955 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.540 1.089 21.569 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.830 0.138 21.572 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.877 1.915 21.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.221 1.074 20.110 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.990 -1.018 20.340 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.381 -0.082 18.878 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.725 -0.065 19.530 1.00 0.00 H new ATOM 312 N ILE A 23 -6.295 4.287 20.344 1.00 0.00 N ATOM 313 CA ILE A 23 -6.748 5.466 21.135 1.00 0.00 C ATOM 314 C ILE A 23 -7.987 5.088 21.949 1.00 0.00 C ATOM 315 O ILE A 23 -8.916 4.490 21.441 1.00 0.00 O ATOM 316 CB ILE A 23 -7.090 6.616 20.187 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.852 6.986 19.368 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.542 7.830 21.000 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.239 7.991 18.282 1.00 0.00 C ATOM 0 H ILE A 23 -6.852 4.081 19.514 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.952 5.778 21.810 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.892 6.308 19.517 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.088 7.413 20.017 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.423 6.093 18.915 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.786 8.650 20.324 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.423 7.568 21.586 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.740 8.138 21.670 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.357 8.254 17.699 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.988 7.548 17.626 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.648 8.888 18.746 1.00 0.00 H new ATOM 331 N ARG A 24 -8.010 5.431 23.208 1.00 0.00 N ATOM 332 CA ARG A 24 -9.181 5.074 24.057 1.00 0.00 C ATOM 333 C ARG A 24 -10.429 5.782 23.526 1.00 0.00 C ATOM 334 O ARG A 24 -10.603 6.971 23.705 1.00 0.00 O ATOM 335 CB ARG A 24 -8.918 5.514 25.499 1.00 0.00 C ATOM 336 CG ARG A 24 -10.024 4.975 26.407 1.00 0.00 C ATOM 337 CD ARG A 24 -9.510 4.892 27.845 1.00 0.00 C ATOM 338 NE ARG A 24 -8.409 3.891 27.921 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.855 3.617 29.070 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.274 4.211 30.154 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.885 2.746 29.137 1.00 0.00 N ATOM 0 H ARG A 24 -7.268 5.943 23.685 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.336 3.995 24.029 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.948 5.145 25.832 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.883 6.602 25.558 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.897 5.625 26.359 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.341 3.990 26.066 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.152 5.868 28.172 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.320 4.609 28.517 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.088 3.420 27.075 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.034 4.889 30.103 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.841 3.997 31.053 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.560 2.279 28.291 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.452 2.532 30.036 1.00 0.00 H new ATOM 355 N LYS A 25 -11.300 5.060 22.876 1.00 0.00 N ATOM 356 CA LYS A 25 -12.533 5.693 22.330 1.00 0.00 C ATOM 357 C LYS A 25 -13.660 5.587 23.361 1.00 0.00 C ATOM 358 O LYS A 25 -14.725 6.146 23.189 1.00 0.00 O ATOM 359 CB LYS A 25 -12.949 4.974 21.044 1.00 0.00 C ATOM 360 CG LYS A 25 -13.137 3.483 21.330 1.00 0.00 C ATOM 361 CD LYS A 25 -13.544 2.764 20.043 1.00 0.00 C ATOM 362 CE LYS A 25 -13.735 1.273 20.329 1.00 0.00 C ATOM 363 NZ LYS A 25 -14.172 0.580 19.084 1.00 0.00 N ATOM 0 H LYS A 25 -11.211 4.059 22.700 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.337 6.743 22.112 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.875 5.401 20.660 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.190 5.115 20.275 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.213 3.057 21.720 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.901 3.342 22.095 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.467 3.191 19.652 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.779 2.903 19.279 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.803 0.839 20.691 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.478 1.135 21.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.302 -0.433 19.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.071 0.988 18.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.448 0.701 18.347 1.00 0.00 H new ATOM 377 N SER A 26 -13.433 4.874 24.429 1.00 0.00 N ATOM 378 CA SER A 26 -14.500 4.712 25.457 1.00 0.00 C ATOM 379 C SER A 26 -14.270 5.711 26.593 1.00 0.00 C ATOM 380 O SER A 26 -13.181 5.832 27.115 1.00 0.00 O ATOM 381 CB SER A 26 -14.459 3.289 26.014 1.00 0.00 C ATOM 382 OG SER A 26 -13.555 3.239 27.109 1.00 0.00 O ATOM 0 H SER A 26 -12.555 4.397 24.635 1.00 0.00 H new ATOM 0 HA SER A 26 -15.473 4.897 25.002 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.455 2.983 26.335 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.146 2.591 25.237 1.00 0.00 H new ATOM 0 HG SER A 26 -12.980 4.032 27.095 1.00 0.00 H new ATOM 388 N GLY A 27 -15.290 6.428 26.980 1.00 0.00 N ATOM 389 CA GLY A 27 -15.141 7.386 28.111 1.00 0.00 C ATOM 390 C GLY A 27 -15.080 8.815 27.567 1.00 0.00 C ATOM 391 O GLY A 27 -14.537 9.062 26.509 1.00 0.00 O ATOM 0 H GLY A 27 -16.220 6.391 26.562 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.979 7.284 28.800 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.235 7.161 28.674 1.00 0.00 H new ATOM 395 N LEU A 28 -15.633 9.756 28.281 1.00 0.00 N ATOM 396 CA LEU A 28 -15.611 11.166 27.800 1.00 0.00 C ATOM 397 C LEU A 28 -14.193 11.726 27.925 1.00 0.00 C ATOM 398 O LEU A 28 -13.693 12.382 27.033 1.00 0.00 O ATOM 399 CB LEU A 28 -16.569 12.008 28.645 1.00 0.00 C ATOM 400 CG LEU A 28 -16.968 13.263 27.867 1.00 0.00 C ATOM 401 CD1 LEU A 28 -15.713 14.052 27.491 1.00 0.00 C ATOM 402 CD2 LEU A 28 -17.714 12.857 26.594 1.00 0.00 C ATOM 0 H LEU A 28 -16.099 9.610 29.176 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.923 11.199 26.756 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.456 11.426 28.897 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -16.093 12.286 29.585 1.00 0.00 H new ATOM 0 HG LEU A 28 -17.615 13.884 28.487 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.998 14.946 26.937 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.180 14.341 28.397 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.065 13.432 26.871 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -17.999 13.751 26.039 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -17.066 12.236 25.975 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -18.609 12.295 26.860 1.00 0.00 H new ATOM 414 N SER A 29 -13.541 11.472 29.027 1.00 0.00 N ATOM 415 CA SER A 29 -12.153 11.983 29.205 1.00 0.00 C ATOM 416 C SER A 29 -11.247 11.386 28.125 1.00 0.00 C ATOM 417 O SER A 29 -10.050 11.269 28.300 1.00 0.00 O ATOM 418 CB SER A 29 -11.634 11.580 30.585 1.00 0.00 C ATOM 419 OG SER A 29 -12.492 12.115 31.584 1.00 0.00 O ATOM 0 H SER A 29 -13.910 10.933 29.811 1.00 0.00 H new ATOM 0 HA SER A 29 -12.153 13.070 29.120 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.593 10.494 30.668 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.618 11.949 30.726 1.00 0.00 H new ATOM 0 HG SER A 29 -12.163 11.857 32.470 1.00 0.00 H new ATOM 425 N ALA A 30 -11.808 11.006 27.011 1.00 0.00 N ATOM 426 CA ALA A 30 -10.984 10.386 25.935 1.00 0.00 C ATOM 427 C ALA A 30 -9.654 11.132 25.818 1.00 0.00 C ATOM 428 O ALA A 30 -9.501 12.231 26.314 1.00 0.00 O ATOM 429 CB ALA A 30 -11.736 10.469 24.604 1.00 0.00 C ATOM 0 H ALA A 30 -12.801 11.098 26.799 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.794 9.341 26.179 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.134 10.016 23.817 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.684 9.937 24.688 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.927 11.514 24.359 1.00 0.00 H new ATOM 435 N GLY A 31 -8.689 10.545 25.163 1.00 0.00 N ATOM 436 CA GLY A 31 -7.370 11.222 25.015 1.00 0.00 C ATOM 437 C GLY A 31 -6.256 10.276 25.467 1.00 0.00 C ATOM 438 O GLY A 31 -5.108 10.434 25.102 1.00 0.00 O ATOM 0 H GLY A 31 -8.757 9.627 24.725 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.214 11.514 23.977 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.349 12.135 25.610 1.00 0.00 H new ATOM 442 N LYS A 32 -6.585 9.292 26.260 1.00 0.00 N ATOM 443 CA LYS A 32 -5.549 8.321 26.712 1.00 0.00 C ATOM 444 C LYS A 32 -5.320 7.275 25.620 1.00 0.00 C ATOM 445 O LYS A 32 -6.239 6.616 25.175 1.00 0.00 O ATOM 446 CB LYS A 32 -6.024 7.630 27.992 1.00 0.00 C ATOM 447 CG LYS A 32 -4.812 7.119 28.774 1.00 0.00 C ATOM 448 CD LYS A 32 -4.266 8.239 29.662 1.00 0.00 C ATOM 449 CE LYS A 32 -4.896 8.141 31.053 1.00 0.00 C ATOM 450 NZ LYS A 32 -6.363 8.384 30.951 1.00 0.00 N ATOM 0 H LYS A 32 -7.526 9.119 26.614 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.616 8.849 26.909 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.597 8.327 28.603 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.688 6.801 27.746 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.095 6.262 29.385 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.039 6.778 28.085 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.181 8.162 29.736 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.487 9.210 29.218 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.708 7.156 31.481 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.441 8.871 31.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.757 8.537 31.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.536 9.226 30.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.822 7.559 30.515 1.00 0.00 H new ATOM 464 N SER A 33 -4.100 7.115 25.185 1.00 0.00 N ATOM 465 CA SER A 33 -3.822 6.147 24.087 1.00 0.00 C ATOM 466 C SER A 33 -2.688 5.210 24.506 1.00 0.00 C ATOM 467 O SER A 33 -1.831 5.569 25.289 1.00 0.00 O ATOM 468 CB SER A 33 -3.412 6.911 22.827 1.00 0.00 C ATOM 469 OG SER A 33 -3.219 5.990 21.761 1.00 0.00 O ATOM 0 H SER A 33 -3.284 7.613 25.542 1.00 0.00 H new ATOM 0 HA SER A 33 -4.719 5.562 23.883 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.181 7.636 22.561 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.495 7.471 23.010 1.00 0.00 H new ATOM 0 HG SER A 33 -3.598 5.120 22.007 1.00 0.00 H new ATOM 475 N ASP A 34 -2.675 4.011 23.991 1.00 0.00 N ATOM 476 CA ASP A 34 -1.586 3.058 24.347 1.00 0.00 C ATOM 477 C ASP A 34 -0.934 2.529 23.068 1.00 0.00 C ATOM 478 O ASP A 34 -1.587 2.331 22.063 1.00 0.00 O ATOM 479 CB ASP A 34 -2.171 1.890 25.142 1.00 0.00 C ATOM 480 CG ASP A 34 -2.557 2.368 26.543 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.219 3.490 26.878 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.183 1.601 27.257 1.00 0.00 O ATOM 0 H ASP A 34 -3.372 3.650 23.339 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.837 3.570 24.952 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.045 1.489 24.629 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.443 1.082 25.210 1.00 0.00 H new ATOM 487 N VAL A 35 0.351 2.301 23.096 1.00 0.00 N ATOM 488 CA VAL A 35 1.045 1.796 21.879 1.00 0.00 C ATOM 489 C VAL A 35 1.399 0.319 22.068 1.00 0.00 C ATOM 490 O VAL A 35 1.958 -0.071 23.074 1.00 0.00 O ATOM 491 CB VAL A 35 2.324 2.602 21.650 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.051 2.068 20.414 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.966 4.074 21.433 1.00 0.00 C ATOM 0 H VAL A 35 0.950 2.443 23.910 1.00 0.00 H new ATOM 0 HA VAL A 35 0.388 1.904 21.016 1.00 0.00 H new ATOM 0 HB VAL A 35 2.972 2.509 22.521 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.963 2.643 20.251 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.306 1.019 20.567 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.403 2.161 19.542 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.877 4.650 21.270 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.317 4.166 20.562 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.448 4.456 22.313 1.00 0.00 H new ATOM 503 N TYR A 36 1.079 -0.504 21.108 1.00 0.00 N ATOM 504 CA TYR A 36 1.411 -1.952 21.227 1.00 0.00 C ATOM 505 C TYR A 36 2.476 -2.316 20.192 1.00 0.00 C ATOM 506 O TYR A 36 2.456 -1.843 19.072 1.00 0.00 O ATOM 507 CB TYR A 36 0.153 -2.787 20.979 1.00 0.00 C ATOM 508 CG TYR A 36 -0.836 -2.552 22.095 1.00 0.00 C ATOM 509 CD1 TYR A 36 -1.673 -1.431 22.065 1.00 0.00 C ATOM 510 CD2 TYR A 36 -0.916 -3.456 23.162 1.00 0.00 C ATOM 511 CE1 TYR A 36 -2.591 -1.213 23.099 1.00 0.00 C ATOM 512 CE2 TYR A 36 -1.833 -3.238 24.196 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.671 -2.117 24.166 1.00 0.00 C ATOM 514 OH TYR A 36 -3.574 -1.902 25.186 1.00 0.00 O ATOM 0 H TYR A 36 0.602 -0.237 20.247 1.00 0.00 H new ATOM 0 HA TYR A 36 1.791 -2.157 22.228 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.292 -2.517 20.021 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.411 -3.845 20.924 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.611 -0.733 21.243 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.270 -4.321 23.187 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.237 -0.348 23.074 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.894 -3.935 25.018 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.501 -2.623 25.845 1.00 0.00 H new ATOM 524 N TYR A 37 3.410 -3.154 20.555 1.00 0.00 N ATOM 525 CA TYR A 37 4.483 -3.536 19.594 1.00 0.00 C ATOM 526 C TYR A 37 4.447 -5.048 19.364 1.00 0.00 C ATOM 527 O TYR A 37 4.378 -5.826 20.295 1.00 0.00 O ATOM 528 CB TYR A 37 5.845 -3.139 20.168 1.00 0.00 C ATOM 529 CG TYR A 37 5.981 -1.636 20.146 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.481 -0.994 19.006 1.00 0.00 C ATOM 531 CD2 TYR A 37 5.608 -0.882 21.265 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.608 0.400 18.985 1.00 0.00 C ATOM 533 CE2 TYR A 37 5.734 0.512 21.245 1.00 0.00 C ATOM 534 CZ TYR A 37 6.235 1.153 20.105 1.00 0.00 C ATOM 535 OH TYR A 37 6.359 2.527 20.084 1.00 0.00 O ATOM 0 H TYR A 37 3.476 -3.590 21.475 1.00 0.00 H new ATOM 0 HA TYR A 37 4.323 -3.021 18.647 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.943 -3.509 21.189 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.645 -3.596 19.585 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.769 -1.575 18.142 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.223 -1.376 22.145 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.993 0.894 18.105 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.445 1.093 22.108 1.00 0.00 H new ATOM 0 HH TYR A 37 5.997 2.901 20.914 1.00 0.00 H new ATOM 545 N PHE A 38 4.494 -5.471 18.130 1.00 0.00 N ATOM 546 CA PHE A 38 4.488 -6.933 17.843 1.00 0.00 C ATOM 547 C PHE A 38 5.784 -7.317 17.128 1.00 0.00 C ATOM 548 O PHE A 38 6.209 -6.663 16.196 1.00 0.00 O ATOM 549 CB PHE A 38 3.293 -7.273 16.950 1.00 0.00 C ATOM 550 CG PHE A 38 2.012 -7.043 17.715 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.409 -5.780 17.709 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.426 -8.095 18.430 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.220 -5.568 18.419 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.238 -7.883 19.139 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.366 -6.619 19.134 1.00 0.00 C ATOM 0 H PHE A 38 4.536 -4.867 17.309 1.00 0.00 H new ATOM 0 HA PHE A 38 4.411 -7.487 18.779 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.309 -6.655 16.052 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.353 -8.311 16.624 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.860 -4.969 17.157 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.891 -9.070 18.434 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.245 -4.593 18.415 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.213 -8.695 19.690 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.283 -6.456 19.681 1.00 0.00 H new ATOM 565 N SER A 39 6.418 -8.375 17.556 1.00 0.00 N ATOM 566 CA SER A 39 7.691 -8.794 16.905 1.00 0.00 C ATOM 567 C SER A 39 7.439 -10.029 16.038 1.00 0.00 C ATOM 568 O SER A 39 6.409 -10.667 16.136 1.00 0.00 O ATOM 569 CB SER A 39 8.725 -9.130 17.981 1.00 0.00 C ATOM 570 OG SER A 39 9.249 -10.430 17.739 1.00 0.00 O ATOM 0 H SER A 39 6.109 -8.966 18.328 1.00 0.00 H new ATOM 0 HA SER A 39 8.064 -7.982 16.281 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.529 -8.394 17.972 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.266 -9.088 18.969 1.00 0.00 H new ATOM 0 HG SER A 39 9.913 -10.648 18.426 1.00 0.00 H new ATOM 576 N PRO A 40 8.378 -10.360 15.194 1.00 0.00 N ATOM 577 CA PRO A 40 8.281 -11.551 14.304 1.00 0.00 C ATOM 578 C PRO A 40 8.023 -12.841 15.087 1.00 0.00 C ATOM 579 O PRO A 40 7.699 -13.866 14.523 1.00 0.00 O ATOM 580 CB PRO A 40 9.648 -11.604 13.621 1.00 0.00 C ATOM 581 CG PRO A 40 10.532 -10.714 14.431 1.00 0.00 C ATOM 582 CD PRO A 40 9.639 -9.628 14.998 1.00 0.00 C ATOM 0 HA PRO A 40 7.448 -11.469 13.606 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.035 -12.623 13.595 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.585 -11.260 12.589 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.019 -11.273 15.230 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.322 -10.285 13.814 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.028 -9.223 15.932 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.525 -8.790 14.310 1.00 0.00 H new ATOM 590 N SER A 41 8.162 -12.797 16.384 1.00 0.00 N ATOM 591 CA SER A 41 7.912 -14.016 17.202 1.00 0.00 C ATOM 592 C SER A 41 6.414 -14.141 17.486 1.00 0.00 C ATOM 593 O SER A 41 5.958 -15.112 18.056 1.00 0.00 O ATOM 594 CB SER A 41 8.673 -13.909 18.524 1.00 0.00 C ATOM 595 OG SER A 41 8.159 -12.817 19.275 1.00 0.00 O ATOM 0 H SER A 41 8.438 -11.969 16.912 1.00 0.00 H new ATOM 0 HA SER A 41 8.254 -14.895 16.656 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.572 -14.835 19.091 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.737 -13.766 18.334 1.00 0.00 H new ATOM 0 HG SER A 41 8.464 -11.975 18.878 1.00 0.00 H new ATOM 601 N GLY A 42 5.644 -13.163 17.092 1.00 0.00 N ATOM 602 CA GLY A 42 4.172 -13.235 17.320 1.00 0.00 C ATOM 603 C GLY A 42 3.865 -12.922 18.785 1.00 0.00 C ATOM 604 O GLY A 42 2.724 -12.922 19.203 1.00 0.00 O ATOM 0 H GLY A 42 5.970 -12.318 16.623 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.658 -12.526 16.671 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.802 -14.228 17.064 1.00 0.00 H new ATOM 608 N LYS A 43 4.874 -12.655 19.568 1.00 0.00 N ATOM 609 CA LYS A 43 4.639 -12.345 21.006 1.00 0.00 C ATOM 610 C LYS A 43 4.124 -10.910 21.142 1.00 0.00 C ATOM 611 O LYS A 43 4.538 -10.021 20.424 1.00 0.00 O ATOM 612 CB LYS A 43 5.951 -12.491 21.780 1.00 0.00 C ATOM 613 CG LYS A 43 5.703 -12.210 23.264 1.00 0.00 C ATOM 614 CD LYS A 43 7.009 -12.386 24.041 1.00 0.00 C ATOM 615 CE LYS A 43 7.179 -13.856 24.428 1.00 0.00 C ATOM 616 NZ LYS A 43 8.451 -14.026 25.185 1.00 0.00 N ATOM 0 H LYS A 43 5.851 -12.638 19.274 1.00 0.00 H new ATOM 0 HA LYS A 43 3.899 -13.036 21.410 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.351 -13.497 21.651 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.696 -11.799 21.388 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.323 -11.197 23.395 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.943 -12.888 23.651 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.853 -12.059 23.433 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.999 -11.762 24.935 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.335 -14.183 25.036 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.189 -14.480 23.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.567 -15.025 25.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.251 -13.729 24.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.424 -13.442 26.045 1.00 0.00 H new ATOM 630 N LYS A 44 3.224 -10.678 22.058 1.00 0.00 N ATOM 631 CA LYS A 44 2.680 -9.301 22.235 1.00 0.00 C ATOM 632 C LYS A 44 3.558 -8.530 23.223 1.00 0.00 C ATOM 633 O LYS A 44 3.993 -9.059 24.226 1.00 0.00 O ATOM 634 CB LYS A 44 1.252 -9.384 22.778 1.00 0.00 C ATOM 635 CG LYS A 44 0.666 -7.975 22.891 1.00 0.00 C ATOM 636 CD LYS A 44 -0.752 -8.056 23.459 1.00 0.00 C ATOM 637 CE LYS A 44 -1.724 -8.463 22.350 1.00 0.00 C ATOM 638 NZ LYS A 44 -3.124 -8.312 22.836 1.00 0.00 N ATOM 0 H LYS A 44 2.842 -11.381 22.691 1.00 0.00 H new ATOM 0 HA LYS A 44 2.674 -8.785 21.275 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.635 -9.994 22.118 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.250 -9.869 23.754 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.293 -7.360 23.536 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.650 -7.497 21.912 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.788 -8.780 24.273 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.043 -7.092 23.877 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.565 -7.843 21.467 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.541 -9.495 22.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.785 -8.589 22.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.271 -8.921 23.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.295 -7.321 23.100 1.00 0.00 H new ATOM 652 N PHE A 45 3.821 -7.281 22.948 1.00 0.00 N ATOM 653 CA PHE A 45 4.680 -6.482 23.866 1.00 0.00 C ATOM 654 C PHE A 45 3.942 -5.206 24.275 1.00 0.00 C ATOM 655 O PHE A 45 3.130 -4.683 23.537 1.00 0.00 O ATOM 656 CB PHE A 45 5.982 -6.111 23.152 1.00 0.00 C ATOM 657 CG PHE A 45 6.894 -7.313 23.110 1.00 0.00 C ATOM 658 CD1 PHE A 45 7.682 -7.633 24.222 1.00 0.00 C ATOM 659 CD2 PHE A 45 6.952 -8.108 21.959 1.00 0.00 C ATOM 660 CE1 PHE A 45 8.528 -8.747 24.183 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.797 -9.223 21.919 1.00 0.00 C ATOM 662 CZ PHE A 45 8.585 -9.542 23.031 1.00 0.00 C ATOM 0 H PHE A 45 3.478 -6.780 22.128 1.00 0.00 H new ATOM 0 HA PHE A 45 4.907 -7.071 24.755 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.769 -5.768 22.140 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.472 -5.287 23.671 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.637 -7.020 25.110 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.344 -7.861 21.101 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.137 -8.994 25.040 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.841 -9.836 21.031 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.238 -10.402 23.001 1.00 0.00 H new ATOM 672 N ARG A 46 4.217 -4.701 25.446 1.00 0.00 N ATOM 673 CA ARG A 46 3.536 -3.455 25.899 1.00 0.00 C ATOM 674 C ARG A 46 4.373 -2.786 26.992 1.00 0.00 C ATOM 675 O ARG A 46 4.022 -2.805 28.155 1.00 0.00 O ATOM 676 CB ARG A 46 2.153 -3.801 26.456 1.00 0.00 C ATOM 677 CG ARG A 46 1.412 -2.515 26.823 1.00 0.00 C ATOM 678 CD ARG A 46 0.041 -2.863 27.404 1.00 0.00 C ATOM 679 NE ARG A 46 0.214 -3.487 28.746 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.821 -3.669 29.519 1.00 0.00 C ATOM 681 NH1 ARG A 46 -2.009 -3.305 29.116 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.670 -4.215 30.694 1.00 0.00 N ATOM 0 H ARG A 46 4.884 -5.097 26.109 1.00 0.00 H new ATOM 0 HA ARG A 46 3.427 -2.774 25.055 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.582 -4.363 25.717 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.253 -4.439 27.334 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.991 -1.943 27.548 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.296 -1.886 25.941 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.570 -1.964 27.485 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.485 -3.547 26.738 1.00 0.00 H new ATOM 0 HE ARG A 46 1.142 -3.772 29.060 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.127 -2.879 28.197 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.818 -3.447 29.720 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.258 -4.500 31.009 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.479 -4.357 31.298 1.00 0.00 H new ATOM 696 N SER A 47 5.476 -2.193 26.626 1.00 0.00 N ATOM 697 CA SER A 47 6.344 -1.540 27.646 1.00 0.00 C ATOM 698 C SER A 47 7.764 -1.398 27.092 1.00 0.00 C ATOM 699 O SER A 47 8.405 -2.370 26.747 1.00 0.00 O ATOM 700 CB SER A 47 6.375 -2.396 28.913 1.00 0.00 C ATOM 701 OG SER A 47 6.071 -3.743 28.577 1.00 0.00 O ATOM 0 H SER A 47 5.814 -2.132 25.665 1.00 0.00 H new ATOM 0 HA SER A 47 5.946 -0.554 27.884 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.358 -2.339 29.381 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.654 -2.019 29.639 1.00 0.00 H new ATOM 0 HG SER A 47 5.146 -3.943 28.833 1.00 0.00 H new ATOM 707 N LYS A 48 8.258 -0.194 27.005 1.00 0.00 N ATOM 708 CA LYS A 48 9.639 0.009 26.481 1.00 0.00 C ATOM 709 C LYS A 48 10.606 -0.920 27.216 1.00 0.00 C ATOM 710 O LYS A 48 11.389 -1.623 26.606 1.00 0.00 O ATOM 711 CB LYS A 48 10.060 1.463 26.704 1.00 0.00 C ATOM 712 CG LYS A 48 11.206 1.815 25.754 1.00 0.00 C ATOM 713 CD LYS A 48 12.544 1.559 26.453 1.00 0.00 C ATOM 714 CE LYS A 48 13.001 2.834 27.164 1.00 0.00 C ATOM 715 NZ LYS A 48 14.228 2.547 27.959 1.00 0.00 N ATOM 0 H LYS A 48 7.766 0.658 27.274 1.00 0.00 H new ATOM 0 HA LYS A 48 9.659 -0.216 25.415 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.214 2.128 26.532 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.374 1.607 27.738 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.137 1.216 24.846 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.135 2.860 25.452 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.441 0.746 27.172 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.293 1.248 25.725 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.203 3.618 26.434 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.210 3.203 27.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.539 3.414 28.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.020 1.812 28.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.982 2.215 27.325 1.00 0.00 H new ATOM 729 N PRO A 49 10.550 -0.920 28.519 1.00 0.00 N ATOM 730 CA PRO A 49 11.432 -1.772 29.367 1.00 0.00 C ATOM 731 C PRO A 49 11.286 -3.262 29.042 1.00 0.00 C ATOM 732 O PRO A 49 12.191 -4.045 29.255 1.00 0.00 O ATOM 733 CB PRO A 49 10.953 -1.486 30.791 1.00 0.00 C ATOM 734 CG PRO A 49 9.607 -0.855 30.639 1.00 0.00 C ATOM 735 CD PRO A 49 9.634 -0.102 29.328 1.00 0.00 C ATOM 0 HA PRO A 49 12.487 -1.546 29.209 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.893 -2.403 31.377 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.642 -0.821 31.311 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.822 -1.611 30.637 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.398 -0.181 31.470 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.644 -0.033 28.877 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.000 0.917 29.451 1.00 0.00 H new ATOM 743 N GLN A 50 10.153 -3.660 28.532 1.00 0.00 N ATOM 744 CA GLN A 50 9.961 -5.093 28.170 1.00 0.00 C ATOM 745 C GLN A 50 10.735 -5.406 26.887 1.00 0.00 C ATOM 746 O GLN A 50 11.490 -6.355 26.822 1.00 0.00 O ATOM 747 CB GLN A 50 8.473 -5.369 27.948 1.00 0.00 C ATOM 748 CG GLN A 50 8.260 -6.866 27.722 1.00 0.00 C ATOM 749 CD GLN A 50 8.539 -7.624 29.022 1.00 0.00 C ATOM 750 OE1 GLN A 50 8.215 -7.153 30.094 1.00 0.00 O ATOM 751 NE2 GLN A 50 9.131 -8.785 28.972 1.00 0.00 N ATOM 0 H GLN A 50 9.352 -3.055 28.350 1.00 0.00 H new ATOM 0 HA GLN A 50 10.331 -5.723 28.979 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.898 -5.035 28.812 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.112 -4.806 27.088 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.238 -7.053 27.392 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.921 -7.223 26.932 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.403 -9.180 28.072 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.322 -9.298 29.833 1.00 0.00 H new ATOM 760 N LEU A 51 10.550 -4.617 25.865 1.00 0.00 N ATOM 761 CA LEU A 51 11.308 -4.843 24.603 1.00 0.00 C ATOM 762 C LEU A 51 12.799 -4.601 24.850 1.00 0.00 C ATOM 763 O LEU A 51 13.643 -5.345 24.391 1.00 0.00 O ATOM 764 CB LEU A 51 10.807 -3.877 23.527 1.00 0.00 C ATOM 765 CG LEU A 51 9.360 -4.219 23.168 1.00 0.00 C ATOM 766 CD1 LEU A 51 8.758 -3.085 22.335 1.00 0.00 C ATOM 767 CD2 LEU A 51 9.330 -5.516 22.358 1.00 0.00 C ATOM 0 H LEU A 51 9.907 -3.826 25.849 1.00 0.00 H new ATOM 0 HA LEU A 51 11.158 -5.870 24.270 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.871 -2.850 23.887 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.438 -3.944 22.641 1.00 0.00 H new ATOM 0 HG LEU A 51 8.780 -4.346 24.082 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.727 -3.329 22.079 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.780 -2.160 22.911 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.338 -2.958 21.421 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.299 -5.761 22.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.911 -5.388 21.445 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.759 -6.325 22.950 1.00 0.00 H new ATOM 779 N ALA A 52 13.129 -3.566 25.573 1.00 0.00 N ATOM 780 CA ALA A 52 14.565 -3.290 25.867 1.00 0.00 C ATOM 781 C ALA A 52 15.215 -4.538 26.465 1.00 0.00 C ATOM 782 O ALA A 52 16.307 -4.920 26.093 1.00 0.00 O ATOM 783 CB ALA A 52 14.667 -2.136 26.865 1.00 0.00 C ATOM 0 H ALA A 52 12.468 -2.900 25.973 1.00 0.00 H new ATOM 0 HA ALA A 52 15.078 -3.021 24.944 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.716 -1.933 27.081 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.205 -1.245 26.439 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.153 -2.406 27.787 1.00 0.00 H new ATOM 789 N ARG A 53 14.554 -5.176 27.391 1.00 0.00 N ATOM 790 CA ARG A 53 15.128 -6.408 28.002 1.00 0.00 C ATOM 791 C ARG A 53 15.175 -7.526 26.958 1.00 0.00 C ATOM 792 O ARG A 53 16.083 -8.333 26.941 1.00 0.00 O ATOM 793 CB ARG A 53 14.255 -6.846 29.179 1.00 0.00 C ATOM 794 CG ARG A 53 14.889 -8.060 29.860 1.00 0.00 C ATOM 795 CD ARG A 53 14.032 -8.483 31.055 1.00 0.00 C ATOM 796 NE ARG A 53 14.656 -9.661 31.721 1.00 0.00 N ATOM 797 CZ ARG A 53 14.728 -10.802 31.092 1.00 0.00 C ATOM 798 NH1 ARG A 53 14.260 -10.909 29.879 1.00 0.00 N ATOM 799 NH2 ARG A 53 15.270 -11.836 31.676 1.00 0.00 N ATOM 0 H ARG A 53 13.641 -4.898 27.751 1.00 0.00 H new ATOM 0 HA ARG A 53 16.138 -6.200 28.354 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.151 -6.029 29.892 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.253 -7.094 28.830 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.975 -8.884 29.151 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.899 -7.818 30.191 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.941 -7.658 31.762 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.024 -8.731 30.724 1.00 0.00 H new ATOM 0 HE ARG A 53 15.026 -9.576 32.668 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.838 -10.101 29.422 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.316 -11.801 29.387 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.637 -11.752 32.624 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.326 -12.728 31.184 1.00 0.00 H new ATOM 813 N TYR A 54 14.206 -7.579 26.087 1.00 0.00 N ATOM 814 CA TYR A 54 14.194 -8.651 25.052 1.00 0.00 C ATOM 815 C TYR A 54 15.388 -8.467 24.112 1.00 0.00 C ATOM 816 O TYR A 54 16.168 -9.373 23.899 1.00 0.00 O ATOM 817 CB TYR A 54 12.895 -8.570 24.248 1.00 0.00 C ATOM 818 CG TYR A 54 12.696 -9.858 23.483 1.00 0.00 C ATOM 819 CD1 TYR A 54 12.476 -11.055 24.175 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.729 -9.854 22.084 1.00 0.00 C ATOM 821 CE1 TYR A 54 12.291 -12.248 23.468 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.544 -11.048 21.377 1.00 0.00 C ATOM 823 CZ TYR A 54 12.324 -12.245 22.069 1.00 0.00 C ATOM 824 OH TYR A 54 12.142 -13.421 21.370 1.00 0.00 O ATOM 0 H TYR A 54 13.422 -6.927 26.047 1.00 0.00 H new ATOM 0 HA TYR A 54 14.261 -9.625 25.538 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.051 -8.397 24.916 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.933 -7.727 23.558 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.449 -11.057 25.255 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.897 -8.930 21.550 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.123 -13.171 24.002 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.571 -11.046 20.297 1.00 0.00 H new ATOM 0 HH TYR A 54 12.194 -13.241 20.408 1.00 0.00 H new ATOM 834 N LEU A 55 15.535 -7.299 23.548 1.00 0.00 N ATOM 835 CA LEU A 55 16.674 -7.060 22.617 1.00 0.00 C ATOM 836 C LEU A 55 17.990 -7.100 23.397 1.00 0.00 C ATOM 837 O LEU A 55 19.046 -7.326 22.839 1.00 0.00 O ATOM 838 CB LEU A 55 16.513 -5.689 21.957 1.00 0.00 C ATOM 839 CG LEU A 55 15.540 -5.800 20.783 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.128 -6.061 21.311 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.552 -4.492 19.987 1.00 0.00 C ATOM 0 H LEU A 55 14.916 -6.501 23.692 1.00 0.00 H new ATOM 0 HA LEU A 55 16.684 -7.834 21.850 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.143 -4.965 22.683 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.480 -5.325 21.609 1.00 0.00 H new ATOM 0 HG LEU A 55 15.844 -6.624 20.137 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.435 -6.140 20.473 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.118 -6.991 21.879 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.823 -5.238 21.957 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.859 -4.569 19.149 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.249 -3.669 20.634 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.557 -4.305 19.610 1.00 0.00 H new ATOM 853 N GLY A 56 17.938 -6.881 24.682 1.00 0.00 N ATOM 854 CA GLY A 56 19.184 -6.931 25.497 1.00 0.00 C ATOM 855 C GLY A 56 20.111 -5.785 25.086 1.00 0.00 C ATOM 856 O GLY A 56 19.737 -4.916 24.324 1.00 0.00 O ATOM 0 H GLY A 56 17.087 -6.670 25.203 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.941 -6.854 26.557 1.00 0.00 H new ATOM 0 HA3 GLY A 56 19.686 -7.888 25.354 1.00 0.00 H new ATOM 860 N ASN A 57 21.317 -5.777 25.583 1.00 0.00 N ATOM 861 CA ASN A 57 22.265 -4.687 25.220 1.00 0.00 C ATOM 862 C ASN A 57 22.574 -4.756 23.723 1.00 0.00 C ATOM 863 O ASN A 57 22.963 -3.780 23.114 1.00 0.00 O ATOM 864 CB ASN A 57 23.561 -4.853 26.016 1.00 0.00 C ATOM 865 CG ASN A 57 24.191 -6.208 25.689 1.00 0.00 C ATOM 866 OD1 ASN A 57 23.617 -7.001 24.970 1.00 0.00 O ATOM 867 ND2 ASN A 57 25.358 -6.510 26.191 1.00 0.00 N ATOM 0 H ASN A 57 21.687 -6.478 26.225 1.00 0.00 H new ATOM 0 HA ASN A 57 21.815 -3.722 25.454 1.00 0.00 H new ATOM 0 HB2 ASN A 57 24.255 -4.049 25.772 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.356 -4.784 27.084 1.00 0.00 H new ATOM 0 HD21 ASN A 57 25.787 -7.411 25.979 1.00 0.00 H new ATOM 0 HD22 ASN A 57 25.841 -5.845 26.795 1.00 0.00 H new ATOM 874 N ALA A 58 22.405 -5.903 23.125 1.00 0.00 N ATOM 875 CA ALA A 58 22.677 -6.030 21.666 1.00 0.00 C ATOM 876 C ALA A 58 22.143 -4.795 20.938 1.00 0.00 C ATOM 877 O ALA A 58 22.613 -4.437 19.877 1.00 0.00 O ATOM 878 CB ALA A 58 21.983 -7.281 21.124 1.00 0.00 C ATOM 0 H ALA A 58 22.090 -6.758 23.584 1.00 0.00 H new ATOM 0 HA ALA A 58 23.752 -6.112 21.503 1.00 0.00 H new ATOM 0 HB1 ALA A 58 22.182 -7.374 20.056 1.00 0.00 H new ATOM 0 HB2 ALA A 58 22.363 -8.161 21.642 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.908 -7.200 21.287 1.00 0.00 H new ATOM 884 N VAL A 59 21.164 -4.141 21.501 1.00 0.00 N ATOM 885 CA VAL A 59 20.606 -2.926 20.845 1.00 0.00 C ATOM 886 C VAL A 59 20.234 -1.895 21.913 1.00 0.00 C ATOM 887 O VAL A 59 19.787 -2.237 22.990 1.00 0.00 O ATOM 888 CB VAL A 59 19.357 -3.305 20.047 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.910 -2.114 19.198 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.679 -4.489 19.131 1.00 0.00 C ATOM 0 H VAL A 59 20.727 -4.396 22.387 1.00 0.00 H new ATOM 0 HA VAL A 59 21.352 -2.501 20.173 1.00 0.00 H new ATOM 0 HB VAL A 59 18.557 -3.581 20.735 1.00 0.00 H new ATOM 0 HG11 VAL A 59 18.020 -2.386 18.630 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.682 -1.269 19.848 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.709 -1.837 18.510 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.790 -4.761 18.561 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.479 -4.211 18.445 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.997 -5.339 19.734 1.00 0.00 H new ATOM 900 N ASP A 60 20.414 -0.635 21.623 1.00 0.00 N ATOM 901 CA ASP A 60 20.076 0.415 22.625 1.00 0.00 C ATOM 902 C ASP A 60 18.730 1.047 22.267 1.00 0.00 C ATOM 903 O ASP A 60 18.572 1.644 21.221 1.00 0.00 O ATOM 904 CB ASP A 60 21.163 1.492 22.620 1.00 0.00 C ATOM 905 CG ASP A 60 21.289 2.085 21.216 1.00 0.00 C ATOM 906 OD1 ASP A 60 20.652 1.564 20.315 1.00 0.00 O ATOM 907 OD2 ASP A 60 22.020 3.049 21.064 1.00 0.00 O ATOM 0 H ASP A 60 20.780 -0.288 20.736 1.00 0.00 H new ATOM 0 HA ASP A 60 20.014 -0.034 23.616 1.00 0.00 H new ATOM 0 HB2 ASP A 60 20.916 2.276 23.336 1.00 0.00 H new ATOM 0 HB3 ASP A 60 22.115 1.064 22.932 1.00 0.00 H new ATOM 912 N LEU A 61 17.757 0.921 23.128 1.00 0.00 N ATOM 913 CA LEU A 61 16.420 1.511 22.835 1.00 0.00 C ATOM 914 C LEU A 61 16.259 2.819 23.613 1.00 0.00 C ATOM 915 O LEU A 61 15.178 3.365 23.709 1.00 0.00 O ATOM 916 CB LEU A 61 15.325 0.529 23.254 1.00 0.00 C ATOM 917 CG LEU A 61 15.143 -0.528 22.164 1.00 0.00 C ATOM 918 CD1 LEU A 61 16.413 -1.374 22.054 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.960 -1.431 22.524 1.00 0.00 C ATOM 0 H LEU A 61 17.830 0.435 24.022 1.00 0.00 H new ATOM 0 HA LEU A 61 16.337 1.711 21.767 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.591 0.052 24.197 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.388 1.061 23.419 1.00 0.00 H new ATOM 0 HG LEU A 61 14.951 -0.036 21.210 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.282 -2.127 21.277 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.257 -0.732 21.799 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.606 -1.866 23.007 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.829 -2.185 21.748 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.154 -1.922 23.478 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.054 -0.830 22.603 1.00 0.00 H new ATOM 931 N SER A 62 17.326 3.324 24.170 1.00 0.00 N ATOM 932 CA SER A 62 17.232 4.594 24.943 1.00 0.00 C ATOM 933 C SER A 62 16.730 5.712 24.028 1.00 0.00 C ATOM 934 O SER A 62 15.879 6.497 24.399 1.00 0.00 O ATOM 935 CB SER A 62 18.612 4.962 25.488 1.00 0.00 C ATOM 936 OG SER A 62 19.061 3.936 26.362 1.00 0.00 O ATOM 0 H SER A 62 18.258 2.912 24.123 1.00 0.00 H new ATOM 0 HA SER A 62 16.537 4.464 25.772 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.317 5.091 24.667 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.564 5.913 26.019 1.00 0.00 H new ATOM 0 HG SER A 62 19.946 4.168 26.712 1.00 0.00 H new ATOM 942 N CYS A 63 17.249 5.792 22.833 1.00 0.00 N ATOM 943 CA CYS A 63 16.797 6.857 21.894 1.00 0.00 C ATOM 944 C CYS A 63 15.419 6.495 21.337 1.00 0.00 C ATOM 945 O CYS A 63 14.618 7.354 21.028 1.00 0.00 O ATOM 946 CB CYS A 63 17.797 6.978 20.742 1.00 0.00 C ATOM 947 SG CYS A 63 19.129 8.108 21.216 1.00 0.00 S ATOM 0 H CYS A 63 17.966 5.166 22.467 1.00 0.00 H new ATOM 0 HA CYS A 63 16.736 7.807 22.424 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.207 5.998 20.497 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.295 7.346 19.847 1.00 0.00 H new ATOM 0 HG CYS A 63 19.980 8.210 20.239 1.00 0.00 H new ATOM 953 N PHE A 64 15.136 5.227 21.206 1.00 0.00 N ATOM 954 CA PHE A 64 13.809 4.811 20.672 1.00 0.00 C ATOM 955 C PHE A 64 12.703 5.327 21.595 1.00 0.00 C ATOM 956 O PHE A 64 12.749 5.148 22.795 1.00 0.00 O ATOM 957 CB PHE A 64 13.743 3.284 20.602 1.00 0.00 C ATOM 958 CG PHE A 64 12.330 2.855 20.288 1.00 0.00 C ATOM 959 CD1 PHE A 64 11.720 3.272 19.099 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.630 2.039 21.186 1.00 0.00 C ATOM 961 CE1 PHE A 64 10.410 2.874 18.807 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.320 1.641 20.894 1.00 0.00 C ATOM 963 CZ PHE A 64 9.710 2.059 19.704 1.00 0.00 C ATOM 0 H PHE A 64 15.767 4.462 21.446 1.00 0.00 H new ATOM 0 HA PHE A 64 13.673 5.227 19.674 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.425 2.915 19.836 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.064 2.852 21.550 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.260 3.901 18.407 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.101 1.717 22.103 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.940 3.196 17.890 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.780 1.012 21.586 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.699 1.752 19.479 1.00 0.00 H new ATOM 973 N ASP A 65 11.709 5.969 21.043 1.00 0.00 N ATOM 974 CA ASP A 65 10.602 6.495 21.889 1.00 0.00 C ATOM 975 C ASP A 65 9.502 5.437 22.006 1.00 0.00 C ATOM 976 O ASP A 65 9.493 4.456 21.289 1.00 0.00 O ATOM 977 CB ASP A 65 10.026 7.760 21.247 1.00 0.00 C ATOM 978 CG ASP A 65 9.031 8.413 22.208 1.00 0.00 C ATOM 979 OD1 ASP A 65 8.984 7.997 23.355 1.00 0.00 O ATOM 980 OD2 ASP A 65 8.331 9.315 21.781 1.00 0.00 O ATOM 0 H ASP A 65 11.617 6.151 20.044 1.00 0.00 H new ATOM 0 HA ASP A 65 10.985 6.733 22.881 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.829 8.458 21.009 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.531 7.511 20.308 1.00 0.00 H new ATOM 985 N PHE A 66 8.575 5.628 22.905 1.00 0.00 N ATOM 986 CA PHE A 66 7.477 4.635 23.064 1.00 0.00 C ATOM 987 C PHE A 66 6.158 5.252 22.593 1.00 0.00 C ATOM 988 O PHE A 66 5.493 4.726 21.722 1.00 0.00 O ATOM 989 CB PHE A 66 7.356 4.239 24.538 1.00 0.00 C ATOM 990 CG PHE A 66 6.360 3.114 24.677 1.00 0.00 C ATOM 991 CD1 PHE A 66 6.773 1.788 24.499 1.00 0.00 C ATOM 992 CD2 PHE A 66 5.024 3.395 24.987 1.00 0.00 C ATOM 993 CE1 PHE A 66 5.850 0.743 24.628 1.00 0.00 C ATOM 994 CE2 PHE A 66 4.101 2.350 25.116 1.00 0.00 C ATOM 995 CZ PHE A 66 4.514 1.024 24.937 1.00 0.00 C ATOM 0 H PHE A 66 8.531 6.429 23.535 1.00 0.00 H new ATOM 0 HA PHE A 66 7.699 3.751 22.467 1.00 0.00 H new ATOM 0 HB2 PHE A 66 8.327 3.929 24.923 1.00 0.00 H new ATOM 0 HB3 PHE A 66 7.037 5.096 25.131 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.804 1.571 24.262 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.705 4.417 25.127 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.169 -0.279 24.489 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.070 2.567 25.354 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.802 0.218 25.037 1.00 0.00 H new ATOM 1005 N ARG A 67 5.776 6.363 23.159 1.00 0.00 N ATOM 1006 CA ARG A 67 4.493 7.003 22.754 1.00 0.00 C ATOM 1007 C ARG A 67 4.499 7.245 21.243 1.00 0.00 C ATOM 1008 O ARG A 67 3.516 7.021 20.565 1.00 0.00 O ATOM 1009 CB ARG A 67 4.335 8.338 23.484 1.00 0.00 C ATOM 1010 CG ARG A 67 4.166 8.084 24.984 1.00 0.00 C ATOM 1011 CD ARG A 67 4.101 9.420 25.725 1.00 0.00 C ATOM 1012 NE ARG A 67 2.878 10.161 25.306 1.00 0.00 N ATOM 1013 CZ ARG A 67 2.548 11.270 25.909 1.00 0.00 C ATOM 1014 NH1 ARG A 67 3.289 11.730 26.880 1.00 0.00 N ATOM 1015 NH2 ARG A 67 1.476 11.918 25.543 1.00 0.00 N ATOM 0 H ARG A 67 6.297 6.856 23.885 1.00 0.00 H new ATOM 0 HA ARG A 67 3.662 6.347 23.014 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.208 8.967 23.307 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.470 8.876 23.096 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.257 7.511 25.166 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.999 7.489 25.359 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.086 9.251 26.802 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.990 10.012 25.508 1.00 0.00 H new ATOM 0 HE ARG A 67 2.299 9.801 24.548 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.126 11.223 27.167 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.031 12.597 27.352 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.896 11.558 24.785 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.218 12.785 26.015 1.00 0.00 H new ATOM 1029 N THR A 68 5.598 7.702 20.710 1.00 0.00 N ATOM 1030 CA THR A 68 5.661 7.972 19.247 1.00 0.00 C ATOM 1031 C THR A 68 6.300 6.778 18.535 1.00 0.00 C ATOM 1032 O THR A 68 5.900 6.401 17.451 1.00 0.00 O ATOM 1033 CB THR A 68 6.500 9.227 18.994 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.798 9.044 19.542 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.830 10.433 19.654 1.00 0.00 C ATOM 0 H THR A 68 6.456 7.900 21.225 1.00 0.00 H new ATOM 0 HA THR A 68 4.653 8.127 18.863 1.00 0.00 H new ATOM 0 HB THR A 68 6.579 9.402 17.921 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.791 9.293 20.490 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.428 11.326 19.473 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.834 10.572 19.233 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.749 10.262 20.727 1.00 0.00 H new ATOM 1043 N GLY A 69 7.293 6.181 19.134 1.00 0.00 N ATOM 1044 CA GLY A 69 7.952 5.006 18.495 1.00 0.00 C ATOM 1045 C GLY A 69 8.908 5.487 17.403 1.00 0.00 C ATOM 1046 O GLY A 69 9.063 4.855 16.378 1.00 0.00 O ATOM 0 H GLY A 69 7.677 6.455 20.038 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.498 4.431 19.243 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.200 4.342 18.068 1.00 0.00 H new ATOM 1050 N LYS A 70 9.553 6.602 17.614 1.00 0.00 N ATOM 1051 CA LYS A 70 10.493 7.126 16.583 1.00 0.00 C ATOM 1052 C LYS A 70 11.922 7.084 17.128 1.00 0.00 C ATOM 1053 O LYS A 70 12.146 6.807 18.290 1.00 0.00 O ATOM 1054 CB LYS A 70 10.120 8.569 16.239 1.00 0.00 C ATOM 1055 CG LYS A 70 10.310 9.454 17.474 1.00 0.00 C ATOM 1056 CD LYS A 70 9.800 10.865 17.174 1.00 0.00 C ATOM 1057 CE LYS A 70 9.997 11.752 18.404 1.00 0.00 C ATOM 1058 NZ LYS A 70 9.495 13.124 18.114 1.00 0.00 N ATOM 0 H LYS A 70 9.470 7.172 18.455 1.00 0.00 H new ATOM 0 HA LYS A 70 10.428 6.511 15.686 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.741 8.931 15.420 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.085 8.617 15.900 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.770 9.033 18.322 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.364 9.488 17.752 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.336 11.283 16.322 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.745 10.831 16.902 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.465 11.332 19.257 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.053 11.789 18.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.629 13.727 18.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.022 13.524 17.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.483 13.081 17.877 1.00 0.00 H new ATOM 1072 N MET A 71 12.891 7.357 16.299 1.00 0.00 N ATOM 1073 CA MET A 71 14.305 7.325 16.768 1.00 0.00 C ATOM 1074 C MET A 71 14.932 8.709 16.590 1.00 0.00 C ATOM 1075 O MET A 71 14.794 9.336 15.559 1.00 0.00 O ATOM 1076 CB MET A 71 15.092 6.300 15.949 1.00 0.00 C ATOM 1077 CG MET A 71 16.533 6.236 16.459 1.00 0.00 C ATOM 1078 SD MET A 71 17.439 4.959 15.550 1.00 0.00 S ATOM 1079 CE MET A 71 17.692 3.828 16.940 1.00 0.00 C ATOM 0 H MET A 71 12.765 7.601 15.317 1.00 0.00 H new ATOM 0 HA MET A 71 14.332 7.046 17.821 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.623 5.319 16.028 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.080 6.575 14.894 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.019 7.203 16.330 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.543 6.014 17.526 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.243 2.951 16.600 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.260 4.333 17.721 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.726 3.518 17.337 1.00 0.00 H new