USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=19 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 62 SER OG : rot 180:sc= -0.0516 USER MOD Set 1.2: A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -52:sc= 0.167 USER MOD Single : A 10 CYS SG : rot 160:sc= -1.57 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= -0.0423 (180deg=-0.0955) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.024 (180deg=-0.347) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0131) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0265 USER MOD Single : A 39 SER OG : rot 102:sc= -5.22! USER MOD Single : A 41 SER OG : rot 180:sc=-0.00356 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 105:sc= -0.75! USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= -0.536 (180deg=-1.63!) USER MOD Single : A 50 GLN : amide:sc= 0.545 K(o=0.55,f=-4.6!) USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00277 USER MOD Single : A 57 ASN : amide:sc= -0.0295 K(o=-0.029,f=-1) USER MOD Single : A 68 THR OG1 : rot 178:sc= -1.64 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -109:sc= -0.236 (180deg=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -2.940 -1.371 8.838 1.00 0.00 N ATOM 53 CA GLY A 6 -3.251 -0.974 10.240 1.00 0.00 C ATOM 54 C GLY A 6 -1.949 -0.805 11.023 1.00 0.00 C ATOM 55 O GLY A 6 -1.664 0.252 11.551 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.816 -0.042 10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.877 -1.731 10.713 1.00 0.00 H new ATOM 59 N ARG A 7 -1.155 -1.838 11.104 1.00 0.00 N ATOM 60 CA ARG A 7 0.135 -1.731 11.841 1.00 0.00 C ATOM 61 C ARG A 7 1.136 -0.931 11.004 1.00 0.00 C ATOM 62 O ARG A 7 0.903 -0.645 9.846 1.00 0.00 O ATOM 63 CB ARG A 7 0.693 -3.132 12.101 1.00 0.00 C ATOM 64 CG ARG A 7 -0.181 -3.844 13.136 1.00 0.00 C ATOM 65 CD ARG A 7 0.376 -5.244 13.397 1.00 0.00 C ATOM 66 NE ARG A 7 -0.432 -5.911 14.457 1.00 0.00 N ATOM 67 CZ ARG A 7 -0.322 -7.197 14.649 1.00 0.00 C ATOM 68 NH1 ARG A 7 0.498 -7.899 13.915 1.00 0.00 N ATOM 69 NH2 ARG A 7 -1.030 -7.781 15.578 1.00 0.00 N ATOM 0 H ARG A 7 -1.345 -2.751 10.691 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.031 -1.224 12.792 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.716 -3.704 11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.720 -3.065 12.460 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.204 -3.272 14.063 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.208 -3.911 12.776 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.351 -5.834 12.481 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.419 -5.180 13.706 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.071 -5.362 15.032 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.053 -7.442 13.191 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.584 -8.904 14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.669 -7.232 16.153 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.944 -8.786 15.728 1.00 0.00 H new ATOM 83 N THR A 8 2.251 -0.571 11.580 1.00 0.00 N ATOM 84 CA THR A 8 3.263 0.214 10.819 1.00 0.00 C ATOM 85 C THR A 8 4.667 -0.272 11.187 1.00 0.00 C ATOM 86 O THR A 8 4.906 -0.726 12.289 1.00 0.00 O ATOM 87 CB THR A 8 3.129 1.697 11.170 1.00 0.00 C ATOM 88 OG1 THR A 8 3.561 1.907 12.507 1.00 0.00 O ATOM 89 CG2 THR A 8 1.667 2.127 11.032 1.00 0.00 C ATOM 0 H THR A 8 2.504 -0.787 12.544 1.00 0.00 H new ATOM 0 HA THR A 8 3.099 0.078 9.750 1.00 0.00 H new ATOM 0 HB THR A 8 3.745 2.287 10.491 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.090 1.288 13.104 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.573 3.184 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.336 1.966 10.006 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.049 1.538 11.709 1.00 0.00 H new ATOM 97 N ASP A 9 5.595 -0.182 10.275 1.00 0.00 N ATOM 98 CA ASP A 9 6.982 -0.632 10.578 1.00 0.00 C ATOM 99 C ASP A 9 7.660 0.387 11.497 1.00 0.00 C ATOM 100 O ASP A 9 7.360 1.564 11.464 1.00 0.00 O ATOM 101 CB ASP A 9 7.777 -0.749 9.275 1.00 0.00 C ATOM 102 CG ASP A 9 7.288 -1.965 8.487 1.00 0.00 C ATOM 103 OD1 ASP A 9 6.491 -2.716 9.028 1.00 0.00 O ATOM 104 OD2 ASP A 9 7.717 -2.126 7.356 1.00 0.00 O ATOM 0 H ASP A 9 5.453 0.184 9.333 1.00 0.00 H new ATOM 0 HA ASP A 9 6.948 -1.603 11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.656 0.156 8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.840 -0.847 9.493 1.00 0.00 H new ATOM 109 N CYS A 10 8.572 -0.056 12.319 1.00 0.00 N ATOM 110 CA CYS A 10 9.271 0.888 13.236 1.00 0.00 C ATOM 111 C CYS A 10 10.694 1.131 12.729 1.00 0.00 C ATOM 112 O CYS A 10 11.448 0.205 12.502 1.00 0.00 O ATOM 113 CB CYS A 10 9.325 0.288 14.642 1.00 0.00 C ATOM 114 SG CYS A 10 8.154 1.156 15.715 1.00 0.00 S ATOM 0 H CYS A 10 8.863 -1.031 12.395 1.00 0.00 H new ATOM 0 HA CYS A 10 8.730 1.834 13.266 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.082 -0.774 14.605 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.334 0.371 15.045 1.00 0.00 H new ATOM 0 HG CYS A 10 7.879 0.415 16.747 1.00 0.00 H new ATOM 120 N PRO A 11 11.054 2.373 12.556 1.00 0.00 N ATOM 121 CA PRO A 11 12.408 2.761 12.065 1.00 0.00 C ATOM 122 C PRO A 11 13.485 2.586 13.139 1.00 0.00 C ATOM 123 O PRO A 11 14.630 2.301 12.843 1.00 0.00 O ATOM 124 CB PRO A 11 12.253 4.238 11.699 1.00 0.00 C ATOM 125 CG PRO A 11 11.126 4.742 12.540 1.00 0.00 C ATOM 126 CD PRO A 11 10.204 3.546 12.810 1.00 0.00 C ATOM 0 HA PRO A 11 12.730 2.138 11.231 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.171 4.791 11.901 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.035 4.358 10.638 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.499 5.161 13.475 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.586 5.538 12.026 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.831 3.554 13.834 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.334 3.557 12.154 1.00 0.00 H new ATOM 134 N ALA A 12 13.130 2.754 14.384 1.00 0.00 N ATOM 135 CA ALA A 12 14.137 2.605 15.472 1.00 0.00 C ATOM 136 C ALA A 12 14.302 1.123 15.815 1.00 0.00 C ATOM 137 O ALA A 12 15.224 0.734 16.504 1.00 0.00 O ATOM 138 CB ALA A 12 13.663 3.365 16.712 1.00 0.00 C ATOM 0 H ALA A 12 12.187 2.988 14.694 1.00 0.00 H new ATOM 0 HA ALA A 12 15.093 3.010 15.140 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.399 3.257 17.509 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.545 4.421 16.468 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.707 2.960 17.044 1.00 0.00 H new ATOM 144 N LEU A 13 13.416 0.291 15.338 1.00 0.00 N ATOM 145 CA LEU A 13 13.522 -1.164 15.641 1.00 0.00 C ATOM 146 C LEU A 13 13.899 -1.923 14.367 1.00 0.00 C ATOM 147 O LEU A 13 13.482 -1.577 13.280 1.00 0.00 O ATOM 148 CB LEU A 13 12.176 -1.675 16.160 1.00 0.00 C ATOM 149 CG LEU A 13 11.760 -0.864 17.388 1.00 0.00 C ATOM 150 CD1 LEU A 13 10.382 -1.327 17.864 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.783 -1.076 18.507 1.00 0.00 C ATOM 0 H LEU A 13 12.624 0.556 14.752 1.00 0.00 H new ATOM 0 HA LEU A 13 14.288 -1.324 16.399 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.418 -1.590 15.381 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.251 -2.732 16.417 1.00 0.00 H new ATOM 0 HG LEU A 13 11.717 0.194 17.128 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.086 -0.749 18.739 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.653 -1.178 17.067 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.424 -2.384 18.125 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.488 -0.499 19.383 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.825 -2.134 18.766 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.765 -0.747 18.169 1.00 0.00 H new ATOM 163 N PRO A 14 14.687 -2.954 14.508 1.00 0.00 N ATOM 164 CA PRO A 14 15.141 -3.788 13.357 1.00 0.00 C ATOM 165 C PRO A 14 14.012 -4.056 12.357 1.00 0.00 C ATOM 166 O PRO A 14 12.846 -3.954 12.682 1.00 0.00 O ATOM 167 CB PRO A 14 15.599 -5.096 14.006 1.00 0.00 C ATOM 168 CG PRO A 14 15.971 -4.738 15.408 1.00 0.00 C ATOM 169 CD PRO A 14 15.233 -3.436 15.785 1.00 0.00 C ATOM 0 HA PRO A 14 15.924 -3.291 12.784 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.804 -5.842 13.989 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.448 -5.523 13.472 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.697 -5.542 16.091 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.049 -4.602 15.492 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.443 -3.621 16.512 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.911 -2.707 16.230 1.00 0.00 H new ATOM 177 N PRO A 15 14.364 -4.396 11.148 1.00 0.00 N ATOM 178 CA PRO A 15 13.377 -4.697 10.073 1.00 0.00 C ATOM 179 C PRO A 15 12.391 -5.796 10.482 1.00 0.00 C ATOM 180 O PRO A 15 12.780 -6.880 10.871 1.00 0.00 O ATOM 181 CB PRO A 15 14.244 -5.167 8.905 1.00 0.00 C ATOM 182 CG PRO A 15 15.605 -4.611 9.171 1.00 0.00 C ATOM 183 CD PRO A 15 15.750 -4.533 10.674 1.00 0.00 C ATOM 0 HA PRO A 15 12.760 -3.830 9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.269 -6.255 8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.851 -4.806 7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.376 -5.249 8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.717 -3.626 8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.225 -5.427 11.078 1.00 0.00 H new ATOM 0 HD3 PRO A 15 16.362 -3.683 10.974 1.00 0.00 H new ATOM 191 N GLY A 16 11.117 -5.524 10.399 1.00 0.00 N ATOM 192 CA GLY A 16 10.108 -6.554 10.776 1.00 0.00 C ATOM 193 C GLY A 16 9.316 -6.073 11.993 1.00 0.00 C ATOM 194 O GLY A 16 8.155 -6.392 12.156 1.00 0.00 O ATOM 0 H GLY A 16 10.731 -4.633 10.086 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.433 -6.740 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.604 -7.498 11.002 1.00 0.00 H new ATOM 198 N TRP A 17 9.935 -5.307 12.850 1.00 0.00 N ATOM 199 CA TRP A 17 9.215 -4.803 14.053 1.00 0.00 C ATOM 200 C TRP A 17 8.003 -3.979 13.614 1.00 0.00 C ATOM 201 O TRP A 17 8.077 -3.189 12.693 1.00 0.00 O ATOM 202 CB TRP A 17 10.156 -3.924 14.879 1.00 0.00 C ATOM 203 CG TRP A 17 10.945 -4.781 15.816 1.00 0.00 C ATOM 204 CD1 TRP A 17 12.245 -5.118 15.652 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.510 -5.415 17.053 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.636 -5.917 16.711 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.603 -6.129 17.601 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.288 -5.439 17.747 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.485 -6.842 18.794 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.165 -6.156 18.950 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.262 -6.857 19.471 1.00 0.00 C ATOM 0 H TRP A 17 10.907 -5.009 12.769 1.00 0.00 H new ATOM 0 HA TRP A 17 8.882 -5.647 14.657 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.827 -3.373 14.221 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.583 -3.186 15.440 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.874 -4.813 14.829 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.574 -6.303 16.821 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.437 -4.903 17.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.333 -7.379 19.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.221 -6.167 19.475 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.162 -7.408 20.394 1.00 0.00 H new ATOM 222 N LYS A 18 6.886 -4.156 14.264 1.00 0.00 N ATOM 223 CA LYS A 18 5.668 -3.391 13.874 1.00 0.00 C ATOM 224 C LYS A 18 5.139 -2.623 15.087 1.00 0.00 C ATOM 225 O LYS A 18 5.301 -3.039 16.217 1.00 0.00 O ATOM 226 CB LYS A 18 4.593 -4.362 13.377 1.00 0.00 C ATOM 227 CG LYS A 18 5.029 -4.965 12.040 1.00 0.00 C ATOM 228 CD LYS A 18 3.963 -5.948 11.552 1.00 0.00 C ATOM 229 CE LYS A 18 4.396 -6.546 10.212 1.00 0.00 C ATOM 230 NZ LYS A 18 3.360 -7.508 9.740 1.00 0.00 N ATOM 0 H LYS A 18 6.764 -4.797 15.048 1.00 0.00 H new ATOM 0 HA LYS A 18 5.919 -2.688 13.079 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.435 -5.153 14.110 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.643 -3.841 13.260 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.175 -4.175 11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.985 -5.476 12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.820 -6.740 12.287 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.006 -5.438 11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.535 -5.754 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.355 -7.052 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.654 -7.915 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.249 -8.269 10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.454 -7.012 9.621 1.00 0.00 H new ATOM 244 N LYS A 19 4.508 -1.503 14.862 1.00 0.00 N ATOM 245 CA LYS A 19 3.966 -0.712 16.002 1.00 0.00 C ATOM 246 C LYS A 19 2.515 -0.321 15.708 1.00 0.00 C ATOM 247 O LYS A 19 2.164 0.005 14.592 1.00 0.00 O ATOM 248 CB LYS A 19 4.806 0.553 16.192 1.00 0.00 C ATOM 249 CG LYS A 19 4.205 1.402 17.314 1.00 0.00 C ATOM 250 CD LYS A 19 5.048 2.665 17.505 1.00 0.00 C ATOM 251 CE LYS A 19 4.372 3.841 16.799 1.00 0.00 C ATOM 252 NZ LYS A 19 5.203 5.067 16.970 1.00 0.00 N ATOM 0 H LYS A 19 4.345 -1.102 13.938 1.00 0.00 H new ATOM 0 HA LYS A 19 4.004 -1.313 16.911 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.835 0.286 16.435 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.836 1.125 15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.177 1.671 17.070 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.173 0.829 18.241 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.162 2.882 18.567 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.049 2.511 17.102 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.246 3.619 15.739 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.376 4.003 17.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.697 5.887 16.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.387 5.224 17.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.106 4.947 16.469 1.00 0.00 H new ATOM 266 N GLU A 20 1.671 -0.351 16.703 1.00 0.00 N ATOM 267 CA GLU A 20 0.244 0.015 16.480 1.00 0.00 C ATOM 268 C GLU A 20 -0.171 1.083 17.494 1.00 0.00 C ATOM 269 O GLU A 20 0.330 1.132 18.600 1.00 0.00 O ATOM 270 CB GLU A 20 -0.635 -1.224 16.655 1.00 0.00 C ATOM 271 CG GLU A 20 -2.094 -0.858 16.378 1.00 0.00 C ATOM 272 CD GLU A 20 -2.966 -2.111 16.494 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.410 -3.197 16.487 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.173 -1.962 16.586 1.00 0.00 O ATOM 0 H GLU A 20 1.908 -0.613 17.660 1.00 0.00 H new ATOM 0 HA GLU A 20 0.122 0.405 15.470 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.311 -2.012 15.975 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.533 -1.615 17.667 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.431 -0.101 17.086 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.189 -0.427 15.381 1.00 0.00 H new ATOM 281 N GLU A 21 -1.085 1.940 17.128 1.00 0.00 N ATOM 282 CA GLU A 21 -1.528 3.006 18.071 1.00 0.00 C ATOM 283 C GLU A 21 -3.051 2.966 18.208 1.00 0.00 C ATOM 284 O GLU A 21 -3.776 3.188 17.259 1.00 0.00 O ATOM 285 CB GLU A 21 -1.100 4.373 17.533 1.00 0.00 C ATOM 286 CG GLU A 21 -1.493 5.461 18.533 1.00 0.00 C ATOM 287 CD GLU A 21 -0.995 6.819 18.033 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.602 6.895 16.881 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.017 7.758 18.811 1.00 0.00 O ATOM 0 H GLU A 21 -1.544 1.948 16.217 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.071 2.840 19.047 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.023 4.389 17.367 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.574 4.561 16.570 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.576 5.482 18.657 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.065 5.242 19.511 1.00 0.00 H new ATOM 296 N VAL A 22 -3.542 2.684 19.385 1.00 0.00 N ATOM 297 CA VAL A 22 -5.018 2.645 19.586 1.00 0.00 C ATOM 298 C VAL A 22 -5.429 3.757 20.552 1.00 0.00 C ATOM 299 O VAL A 22 -4.843 3.929 21.603 1.00 0.00 O ATOM 300 CB VAL A 22 -5.418 1.289 20.170 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.923 1.273 20.440 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.068 0.183 19.173 1.00 0.00 C ATOM 0 H VAL A 22 -2.985 2.479 20.215 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.519 2.790 18.629 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.880 1.122 21.103 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.208 0.307 20.856 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.174 2.062 21.149 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.462 1.439 19.507 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.352 -0.784 19.588 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.606 0.350 18.240 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.995 0.194 18.980 1.00 0.00 H new ATOM 312 N ILE A 23 -6.433 4.516 20.206 1.00 0.00 N ATOM 313 CA ILE A 23 -6.873 5.623 21.101 1.00 0.00 C ATOM 314 C ILE A 23 -8.118 5.189 21.877 1.00 0.00 C ATOM 315 O ILE A 23 -9.049 4.642 21.319 1.00 0.00 O ATOM 316 CB ILE A 23 -7.200 6.859 20.261 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.957 7.285 19.477 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.639 8.001 21.179 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.343 8.342 18.441 1.00 0.00 C ATOM 0 H ILE A 23 -6.967 4.417 19.343 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.074 5.862 21.802 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.006 6.622 19.566 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.205 7.685 20.157 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.513 6.421 18.982 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.872 8.881 20.579 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.524 7.698 21.738 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.834 8.238 21.875 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.457 8.645 17.883 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.080 7.926 17.754 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.767 9.209 18.947 1.00 0.00 H new ATOM 331 N ARG A 24 -8.142 5.428 23.159 1.00 0.00 N ATOM 332 CA ARG A 24 -9.324 5.018 23.971 1.00 0.00 C ATOM 333 C ARG A 24 -10.556 5.797 23.506 1.00 0.00 C ATOM 334 O ARG A 24 -10.660 6.991 23.705 1.00 0.00 O ATOM 335 CB ARG A 24 -9.056 5.319 25.447 1.00 0.00 C ATOM 336 CG ARG A 24 -8.006 4.346 25.985 1.00 0.00 C ATOM 337 CD ARG A 24 -8.208 4.155 27.489 1.00 0.00 C ATOM 338 NE ARG A 24 -7.236 3.148 27.998 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.103 2.960 29.282 1.00 0.00 C ATOM 340 NH1 ARG A 24 -7.829 3.648 30.120 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.246 2.083 29.728 1.00 0.00 N ATOM 0 H ARG A 24 -7.396 5.889 23.680 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.501 3.950 23.844 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.708 6.346 25.562 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.978 5.229 26.021 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.087 3.388 25.472 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.005 4.730 25.788 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.070 5.103 28.008 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.227 3.826 27.691 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.674 2.605 27.342 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.500 4.332 29.771 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.725 3.501 31.124 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.680 1.544 29.073 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.142 1.936 30.732 1.00 0.00 H new ATOM 355 N LYS A 25 -11.492 5.129 22.889 1.00 0.00 N ATOM 356 CA LYS A 25 -12.707 5.834 22.395 1.00 0.00 C ATOM 357 C LYS A 25 -13.829 5.703 23.427 1.00 0.00 C ATOM 358 O LYS A 25 -14.882 6.293 23.292 1.00 0.00 O ATOM 359 CB LYS A 25 -13.157 5.210 21.072 1.00 0.00 C ATOM 360 CG LYS A 25 -12.561 3.806 20.940 1.00 0.00 C ATOM 361 CD LYS A 25 -13.159 2.896 22.014 1.00 0.00 C ATOM 362 CE LYS A 25 -12.578 1.488 21.872 1.00 0.00 C ATOM 363 NZ LYS A 25 -13.081 0.868 20.613 1.00 0.00 N ATOM 0 H LYS A 25 -11.467 4.126 22.706 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.477 6.888 22.240 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.245 5.160 21.033 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.837 5.833 20.237 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.769 3.403 19.949 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.477 3.848 21.046 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.940 3.293 23.005 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.244 2.865 21.916 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.489 1.532 21.859 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.862 0.878 22.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.949 -0.163 20.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.092 1.083 20.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.553 1.251 19.803 1.00 0.00 H new ATOM 377 N SER A 26 -13.611 4.933 24.458 1.00 0.00 N ATOM 378 CA SER A 26 -14.674 4.748 25.487 1.00 0.00 C ATOM 379 C SER A 26 -14.405 5.678 26.672 1.00 0.00 C ATOM 380 O SER A 26 -13.314 5.718 27.207 1.00 0.00 O ATOM 381 CB SER A 26 -14.671 3.296 25.966 1.00 0.00 C ATOM 382 OG SER A 26 -15.575 3.160 27.055 1.00 0.00 O ATOM 0 H SER A 26 -12.744 4.425 24.632 1.00 0.00 H new ATOM 0 HA SER A 26 -15.645 4.986 25.053 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.961 2.632 25.152 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.667 3.004 26.273 1.00 0.00 H new ATOM 0 HG SER A 26 -15.577 2.230 27.364 1.00 0.00 H new ATOM 388 N GLY A 27 -15.390 6.426 27.086 1.00 0.00 N ATOM 389 CA GLY A 27 -15.203 7.320 28.264 1.00 0.00 C ATOM 390 C GLY A 27 -15.045 8.766 27.790 1.00 0.00 C ATOM 391 O GLY A 27 -14.500 9.027 26.736 1.00 0.00 O ATOM 0 H GLY A 27 -16.316 6.457 26.660 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.058 7.238 28.935 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.323 7.014 28.830 1.00 0.00 H new ATOM 395 N LEU A 28 -15.517 9.708 28.559 1.00 0.00 N ATOM 396 CA LEU A 28 -15.393 11.135 28.150 1.00 0.00 C ATOM 397 C LEU A 28 -13.924 11.557 28.209 1.00 0.00 C ATOM 398 O LEU A 28 -13.473 12.381 27.437 1.00 0.00 O ATOM 399 CB LEU A 28 -16.214 12.011 29.100 1.00 0.00 C ATOM 400 CG LEU A 28 -16.049 13.480 28.711 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.483 13.675 27.256 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.919 14.349 29.622 1.00 0.00 C ATOM 0 H LEU A 28 -15.983 9.551 29.453 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.765 11.255 27.132 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.266 11.728 29.055 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.886 11.857 30.128 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.004 13.769 28.821 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.365 14.723 26.979 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.865 13.056 26.606 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.528 13.386 27.146 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.802 15.397 29.345 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -17.964 14.059 29.512 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.612 14.211 30.659 1.00 0.00 H new ATOM 414 N SER A 29 -13.173 11.001 29.120 1.00 0.00 N ATOM 415 CA SER A 29 -11.735 11.376 29.232 1.00 0.00 C ATOM 416 C SER A 29 -11.016 11.037 27.925 1.00 0.00 C ATOM 417 O SER A 29 -9.820 10.830 27.899 1.00 0.00 O ATOM 418 CB SER A 29 -11.094 10.600 30.382 1.00 0.00 C ATOM 419 OG SER A 29 -11.095 9.213 30.070 1.00 0.00 O ATOM 0 H SER A 29 -13.493 10.303 29.792 1.00 0.00 H new ATOM 0 HA SER A 29 -11.653 12.446 29.425 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.074 10.947 30.546 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.644 10.777 31.307 1.00 0.00 H new ATOM 0 HG SER A 29 -10.683 8.712 30.805 1.00 0.00 H new ATOM 425 N ALA A 30 -11.737 10.980 26.837 1.00 0.00 N ATOM 426 CA ALA A 30 -11.097 10.638 25.537 1.00 0.00 C ATOM 427 C ALA A 30 -9.750 11.353 25.426 1.00 0.00 C ATOM 428 O ALA A 30 -9.585 12.461 25.896 1.00 0.00 O ATOM 429 CB ALA A 30 -12.006 11.081 24.389 1.00 0.00 C ATOM 0 H ALA A 30 -12.741 11.156 26.794 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.941 9.561 25.482 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.538 10.831 23.437 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.966 10.570 24.467 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.163 12.158 24.444 1.00 0.00 H new ATOM 435 N GLY A 31 -8.784 10.730 24.808 1.00 0.00 N ATOM 436 CA GLY A 31 -7.448 11.375 24.670 1.00 0.00 C ATOM 437 C GLY A 31 -6.363 10.413 25.155 1.00 0.00 C ATOM 438 O GLY A 31 -5.205 10.543 24.808 1.00 0.00 O ATOM 0 H GLY A 31 -8.863 9.802 24.393 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.269 11.646 23.630 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.416 12.297 25.250 1.00 0.00 H new ATOM 442 N LYS A 32 -6.726 9.448 25.955 1.00 0.00 N ATOM 443 CA LYS A 32 -5.722 8.455 26.429 1.00 0.00 C ATOM 444 C LYS A 32 -5.515 7.386 25.355 1.00 0.00 C ATOM 445 O LYS A 32 -6.456 6.802 24.857 1.00 0.00 O ATOM 446 CB LYS A 32 -6.225 7.796 27.715 1.00 0.00 C ATOM 447 CG LYS A 32 -5.140 6.871 28.272 1.00 0.00 C ATOM 448 CD LYS A 32 -5.597 6.299 29.616 1.00 0.00 C ATOM 449 CE LYS A 32 -4.505 5.390 30.182 1.00 0.00 C ATOM 450 NZ LYS A 32 -4.920 4.891 31.523 1.00 0.00 N ATOM 0 H LYS A 32 -7.675 9.305 26.301 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.776 8.960 26.625 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.481 8.558 28.451 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.134 7.229 27.514 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.941 6.062 27.569 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.207 7.421 28.397 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.809 7.109 30.314 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.522 5.737 29.488 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.330 4.551 29.508 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.566 5.937 30.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.126 4.386 31.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.197 5.695 32.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.727 4.244 31.418 1.00 0.00 H new ATOM 464 N SER A 33 -4.288 7.126 24.993 1.00 0.00 N ATOM 465 CA SER A 33 -4.026 6.132 23.915 1.00 0.00 C ATOM 466 C SER A 33 -2.944 5.152 24.375 1.00 0.00 C ATOM 467 O SER A 33 -2.112 5.474 25.200 1.00 0.00 O ATOM 468 CB SER A 33 -3.551 6.859 22.656 1.00 0.00 C ATOM 469 OG SER A 33 -2.158 7.121 22.763 1.00 0.00 O ATOM 0 H SER A 33 -3.457 7.559 25.397 1.00 0.00 H new ATOM 0 HA SER A 33 -4.943 5.585 23.696 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.752 6.251 21.774 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.100 7.792 22.532 1.00 0.00 H new ATOM 0 HG SER A 33 -1.850 7.585 21.957 1.00 0.00 H new ATOM 475 N ASP A 34 -2.949 3.958 23.848 1.00 0.00 N ATOM 476 CA ASP A 34 -1.913 2.964 24.247 1.00 0.00 C ATOM 477 C ASP A 34 -1.183 2.462 22.999 1.00 0.00 C ATOM 478 O ASP A 34 -1.771 2.297 21.949 1.00 0.00 O ATOM 479 CB ASP A 34 -2.583 1.784 24.955 1.00 0.00 C ATOM 480 CG ASP A 34 -3.113 2.239 26.315 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.852 3.373 26.681 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.771 1.446 26.968 1.00 0.00 O ATOM 0 H ASP A 34 -3.625 3.628 23.159 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.199 3.434 24.923 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.400 1.397 24.346 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.869 0.971 25.085 1.00 0.00 H new ATOM 487 N VAL A 35 0.094 2.218 23.106 1.00 0.00 N ATOM 488 CA VAL A 35 0.862 1.739 21.922 1.00 0.00 C ATOM 489 C VAL A 35 1.286 0.285 22.142 1.00 0.00 C ATOM 490 O VAL A 35 1.795 -0.072 23.185 1.00 0.00 O ATOM 491 CB VAL A 35 2.106 2.609 21.733 1.00 0.00 C ATOM 492 CG1 VAL A 35 2.904 2.107 20.529 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.681 4.059 21.493 1.00 0.00 C ATOM 0 H VAL A 35 0.639 2.329 23.961 1.00 0.00 H new ATOM 0 HA VAL A 35 0.235 1.804 21.033 1.00 0.00 H new ATOM 0 HB VAL A 35 2.726 2.554 22.628 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.790 2.728 20.395 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.207 1.074 20.698 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.285 2.161 19.634 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.567 4.680 21.358 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.060 4.113 20.599 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.113 4.418 22.351 1.00 0.00 H new ATOM 503 N TYR A 36 1.078 -0.557 21.166 1.00 0.00 N ATOM 504 CA TYR A 36 1.482 -1.983 21.314 1.00 0.00 C ATOM 505 C TYR A 36 2.545 -2.322 20.267 1.00 0.00 C ATOM 506 O TYR A 36 2.514 -1.832 19.156 1.00 0.00 O ATOM 507 CB TYR A 36 0.262 -2.884 21.112 1.00 0.00 C ATOM 508 CG TYR A 36 -0.799 -2.532 22.127 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.759 -3.104 23.405 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.820 -1.637 21.792 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.742 -2.778 24.347 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.803 -1.310 22.735 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.764 -1.881 24.012 1.00 0.00 C ATOM 514 OH TYR A 36 -3.732 -1.560 24.941 1.00 0.00 O ATOM 0 H TYR A 36 0.646 -0.318 20.273 1.00 0.00 H new ATOM 0 HA TYR A 36 1.890 -2.143 22.312 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.131 -2.761 20.103 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.548 -3.930 21.218 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.029 -3.796 23.663 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.851 -1.198 20.806 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.712 -3.219 25.333 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.591 -0.618 22.477 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.365 -0.924 24.547 1.00 0.00 H new ATOM 524 N TYR A 37 3.487 -3.156 20.613 1.00 0.00 N ATOM 525 CA TYR A 37 4.560 -3.513 19.642 1.00 0.00 C ATOM 526 C TYR A 37 4.510 -5.016 19.356 1.00 0.00 C ATOM 527 O TYR A 37 4.434 -5.826 20.257 1.00 0.00 O ATOM 528 CB TYR A 37 5.924 -3.150 20.233 1.00 0.00 C ATOM 529 CG TYR A 37 5.956 -1.676 20.558 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.328 -0.750 19.575 1.00 0.00 C ATOM 531 CD2 TYR A 37 5.613 -1.235 21.841 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.358 0.616 19.877 1.00 0.00 C ATOM 533 CE2 TYR A 37 5.641 0.132 22.143 1.00 0.00 C ATOM 534 CZ TYR A 37 6.014 1.058 21.161 1.00 0.00 C ATOM 535 OH TYR A 37 6.044 2.404 21.458 1.00 0.00 O ATOM 0 H TYR A 37 3.560 -3.606 21.526 1.00 0.00 H new ATOM 0 HA TYR A 37 4.409 -2.962 18.714 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.110 -3.736 21.133 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.716 -3.394 19.525 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.592 -1.090 18.584 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.327 -1.949 22.599 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.647 1.330 19.120 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.375 0.472 23.133 1.00 0.00 H new ATOM 0 HH TYR A 37 5.777 2.539 22.391 1.00 0.00 H new ATOM 545 N PHE A 38 4.554 -5.393 18.108 1.00 0.00 N ATOM 546 CA PHE A 38 4.521 -6.843 17.766 1.00 0.00 C ATOM 547 C PHE A 38 5.798 -7.220 17.012 1.00 0.00 C ATOM 548 O PHE A 38 6.222 -6.529 16.108 1.00 0.00 O ATOM 549 CB PHE A 38 3.304 -7.132 16.885 1.00 0.00 C ATOM 550 CG PHE A 38 2.042 -6.798 17.644 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.441 -7.764 18.461 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.473 -5.524 17.531 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.270 -7.455 19.164 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.302 -5.215 18.234 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.299 -6.181 19.051 1.00 0.00 C ATOM 0 H PHE A 38 4.611 -4.760 17.310 1.00 0.00 H new ATOM 0 HA PHE A 38 4.454 -7.430 18.682 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.357 -6.543 15.969 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.296 -8.181 16.590 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.880 -8.747 18.549 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.937 -4.779 16.902 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.194 -8.200 19.793 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.137 -4.232 18.146 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.202 -5.943 19.594 1.00 0.00 H new ATOM 565 N SER A 39 6.412 -8.311 17.376 1.00 0.00 N ATOM 566 CA SER A 39 7.668 -8.725 16.687 1.00 0.00 C ATOM 567 C SER A 39 7.434 -10.047 15.954 1.00 0.00 C ATOM 568 O SER A 39 6.409 -10.681 16.110 1.00 0.00 O ATOM 569 CB SER A 39 8.781 -8.903 17.719 1.00 0.00 C ATOM 570 OG SER A 39 9.913 -8.138 17.325 1.00 0.00 O ATOM 0 H SER A 39 6.099 -8.934 18.120 1.00 0.00 H new ATOM 0 HA SER A 39 7.959 -7.958 15.969 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.436 -8.583 18.702 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.050 -9.956 17.803 1.00 0.00 H new ATOM 0 HG SER A 39 9.954 -7.317 17.858 1.00 0.00 H new ATOM 576 N PRO A 40 8.385 -10.458 15.160 1.00 0.00 N ATOM 577 CA PRO A 40 8.304 -11.735 14.395 1.00 0.00 C ATOM 578 C PRO A 40 7.973 -12.929 15.295 1.00 0.00 C ATOM 579 O PRO A 40 7.300 -13.856 14.889 1.00 0.00 O ATOM 580 CB PRO A 40 9.703 -11.887 13.796 1.00 0.00 C ATOM 581 CG PRO A 40 10.259 -10.503 13.729 1.00 0.00 C ATOM 582 CD PRO A 40 9.646 -9.744 14.906 1.00 0.00 C ATOM 0 HA PRO A 40 7.511 -11.711 13.648 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.327 -12.531 14.415 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.659 -12.341 12.806 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.347 -10.516 13.797 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.005 -10.026 12.782 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.299 -9.762 15.778 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.471 -8.697 14.660 1.00 0.00 H new ATOM 590 N SER A 41 8.439 -12.914 16.514 1.00 0.00 N ATOM 591 CA SER A 41 8.150 -14.048 17.435 1.00 0.00 C ATOM 592 C SER A 41 6.638 -14.177 17.627 1.00 0.00 C ATOM 593 O SER A 41 6.144 -15.189 18.080 1.00 0.00 O ATOM 594 CB SER A 41 8.814 -13.787 18.788 1.00 0.00 C ATOM 595 OG SER A 41 8.217 -14.619 19.773 1.00 0.00 O ATOM 0 H SER A 41 9.007 -12.166 16.911 1.00 0.00 H new ATOM 0 HA SER A 41 8.542 -14.971 17.009 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.884 -13.988 18.726 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.702 -12.739 19.065 1.00 0.00 H new ATOM 0 HG SER A 41 8.642 -14.455 20.641 1.00 0.00 H new ATOM 601 N GLY A 42 5.899 -13.158 17.282 1.00 0.00 N ATOM 602 CA GLY A 42 4.417 -13.228 17.430 1.00 0.00 C ATOM 603 C GLY A 42 4.029 -12.893 18.871 1.00 0.00 C ATOM 604 O GLY A 42 2.865 -12.841 19.214 1.00 0.00 O ATOM 0 H GLY A 42 6.257 -12.281 16.904 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.939 -12.530 16.742 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.062 -14.225 17.170 1.00 0.00 H new ATOM 608 N LYS A 43 4.996 -12.667 19.718 1.00 0.00 N ATOM 609 CA LYS A 43 4.682 -12.339 21.137 1.00 0.00 C ATOM 610 C LYS A 43 4.210 -10.887 21.233 1.00 0.00 C ATOM 611 O LYS A 43 4.705 -10.017 20.545 1.00 0.00 O ATOM 612 CB LYS A 43 5.937 -12.527 21.993 1.00 0.00 C ATOM 613 CG LYS A 43 5.623 -12.163 23.446 1.00 0.00 C ATOM 614 CD LYS A 43 6.866 -12.389 24.308 1.00 0.00 C ATOM 615 CE LYS A 43 6.542 -12.062 25.767 1.00 0.00 C ATOM 616 NZ LYS A 43 7.724 -12.370 26.620 1.00 0.00 N ATOM 0 H LYS A 43 5.989 -12.695 19.488 1.00 0.00 H new ATOM 0 HA LYS A 43 3.894 -13.000 21.498 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.281 -13.560 21.932 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.745 -11.899 21.616 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.307 -11.122 23.511 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.797 -12.771 23.814 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.198 -13.423 24.221 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.684 -11.761 23.957 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.274 -11.010 25.864 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.680 -12.642 26.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.504 -12.148 27.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.960 -13.379 26.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.535 -11.798 26.309 1.00 0.00 H new ATOM 630 N LYS A 44 3.258 -10.618 22.084 1.00 0.00 N ATOM 631 CA LYS A 44 2.739 -9.227 22.205 1.00 0.00 C ATOM 632 C LYS A 44 3.546 -8.472 23.264 1.00 0.00 C ATOM 633 O LYS A 44 3.857 -8.999 24.313 1.00 0.00 O ATOM 634 CB LYS A 44 1.266 -9.267 22.619 1.00 0.00 C ATOM 635 CG LYS A 44 0.733 -7.838 22.747 1.00 0.00 C ATOM 636 CD LYS A 44 -0.765 -7.878 23.058 1.00 0.00 C ATOM 637 CE LYS A 44 -1.304 -6.450 23.154 1.00 0.00 C ATOM 638 NZ LYS A 44 -2.776 -6.489 23.387 1.00 0.00 N ATOM 0 H LYS A 44 2.818 -11.301 22.700 1.00 0.00 H new ATOM 0 HA LYS A 44 2.833 -8.719 21.245 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.684 -9.819 21.880 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.158 -9.793 23.567 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.265 -7.309 23.538 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.909 -7.289 21.822 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.295 -8.426 22.279 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.939 -8.407 23.995 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.810 -5.917 23.967 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.085 -5.905 22.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.143 -5.518 23.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.240 -6.982 22.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.974 -6.994 24.274 1.00 0.00 H new ATOM 652 N PHE A 45 3.890 -7.242 22.995 1.00 0.00 N ATOM 653 CA PHE A 45 4.684 -6.460 23.984 1.00 0.00 C ATOM 654 C PHE A 45 3.941 -5.167 24.326 1.00 0.00 C ATOM 655 O PHE A 45 3.202 -4.632 23.524 1.00 0.00 O ATOM 656 CB PHE A 45 6.050 -6.119 23.384 1.00 0.00 C ATOM 657 CG PHE A 45 6.760 -7.392 22.992 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.511 -7.975 21.744 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.667 -7.989 23.875 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.170 -9.155 21.380 1.00 0.00 C ATOM 661 CE2 PHE A 45 8.325 -9.169 23.511 1.00 0.00 C ATOM 662 CZ PHE A 45 8.077 -9.753 22.263 1.00 0.00 C ATOM 0 H PHE A 45 3.656 -6.746 22.135 1.00 0.00 H new ATOM 0 HA PHE A 45 4.821 -7.051 24.890 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.926 -5.476 22.513 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.648 -5.564 24.107 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.811 -7.515 21.062 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.859 -7.539 24.838 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.979 -9.605 20.417 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.024 -9.629 24.193 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.585 -10.664 21.982 1.00 0.00 H new ATOM 672 N ARG A 46 4.132 -4.660 25.514 1.00 0.00 N ATOM 673 CA ARG A 46 3.437 -3.402 25.908 1.00 0.00 C ATOM 674 C ARG A 46 4.421 -2.482 26.634 1.00 0.00 C ATOM 675 O ARG A 46 4.834 -2.752 27.745 1.00 0.00 O ATOM 676 CB ARG A 46 2.268 -3.735 26.839 1.00 0.00 C ATOM 677 CG ARG A 46 1.537 -4.973 26.317 1.00 0.00 C ATOM 678 CD ARG A 46 0.280 -5.215 27.156 1.00 0.00 C ATOM 679 NE ARG A 46 0.669 -5.477 28.570 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.237 -5.467 29.509 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.485 -5.228 29.208 1.00 0.00 N ATOM 682 NH2 ARG A 46 0.104 -5.695 30.748 1.00 0.00 N ATOM 0 H ARG A 46 4.739 -5.063 26.228 1.00 0.00 H new ATOM 0 HA ARG A 46 3.060 -2.900 25.017 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.634 -3.915 27.850 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.581 -2.890 26.894 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.267 -4.835 25.270 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.192 -5.843 26.365 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.378 -4.347 27.103 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.278 -6.063 26.758 1.00 0.00 H new ATOM 0 HE ARG A 46 1.644 -5.664 28.804 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.751 -5.049 28.240 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.194 -5.220 29.941 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.079 -5.881 30.983 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.605 -5.687 31.482 1.00 0.00 H new ATOM 696 N SER A 47 4.800 -1.397 26.015 1.00 0.00 N ATOM 697 CA SER A 47 5.710 -0.433 26.692 1.00 0.00 C ATOM 698 C SER A 47 7.162 -0.769 26.342 1.00 0.00 C ATOM 699 O SER A 47 7.465 -1.853 25.884 1.00 0.00 O ATOM 700 CB SER A 47 5.518 -0.527 28.207 1.00 0.00 C ATOM 701 OG SER A 47 4.150 -0.789 28.490 1.00 0.00 O ATOM 0 H SER A 47 4.518 -1.138 25.070 1.00 0.00 H new ATOM 0 HA SER A 47 5.479 0.579 26.358 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.145 -1.319 28.616 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.829 0.403 28.683 1.00 0.00 H new ATOM 0 HG SER A 47 4.045 -1.726 28.757 1.00 0.00 H new ATOM 707 N LYS A 48 8.061 0.152 26.551 1.00 0.00 N ATOM 708 CA LYS A 48 9.485 -0.099 26.191 1.00 0.00 C ATOM 709 C LYS A 48 10.074 -1.146 27.140 1.00 0.00 C ATOM 710 O LYS A 48 10.791 -2.037 26.728 1.00 0.00 O ATOM 711 CB LYS A 48 10.279 1.203 26.310 1.00 0.00 C ATOM 712 CG LYS A 48 11.668 1.013 25.698 1.00 0.00 C ATOM 713 CD LYS A 48 12.693 0.800 26.813 1.00 0.00 C ATOM 714 CE LYS A 48 12.838 2.086 27.628 1.00 0.00 C ATOM 715 NZ LYS A 48 12.209 1.900 28.966 1.00 0.00 N ATOM 0 H LYS A 48 7.871 1.069 26.956 1.00 0.00 H new ATOM 0 HA LYS A 48 9.542 -0.465 25.166 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.753 2.010 25.800 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.368 1.492 27.357 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.666 0.157 25.023 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.938 1.886 25.104 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.377 -0.019 27.460 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.655 0.517 26.387 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.892 2.340 27.742 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.365 2.916 27.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.687 2.761 29.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.553 1.094 28.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.948 1.715 29.674 1.00 0.00 H new ATOM 729 N PRO A 49 9.773 -1.032 28.404 1.00 0.00 N ATOM 730 CA PRO A 49 10.273 -1.976 29.443 1.00 0.00 C ATOM 731 C PRO A 49 10.088 -3.440 29.035 1.00 0.00 C ATOM 732 O PRO A 49 10.937 -4.275 29.279 1.00 0.00 O ATOM 733 CB PRO A 49 9.419 -1.651 30.670 1.00 0.00 C ATOM 734 CG PRO A 49 8.995 -0.231 30.495 1.00 0.00 C ATOM 735 CD PRO A 49 8.917 0.017 28.981 1.00 0.00 C ATOM 0 HA PRO A 49 11.343 -1.860 29.614 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.556 -2.313 30.734 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.989 -1.780 31.590 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.029 -0.053 30.968 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.708 0.447 30.963 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.893 -0.058 28.616 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.276 1.013 28.721 1.00 0.00 H new ATOM 743 N GLN A 50 8.984 -3.760 28.417 1.00 0.00 N ATOM 744 CA GLN A 50 8.751 -5.168 27.989 1.00 0.00 C ATOM 745 C GLN A 50 9.533 -5.449 26.703 1.00 0.00 C ATOM 746 O GLN A 50 10.332 -6.361 26.640 1.00 0.00 O ATOM 747 CB GLN A 50 7.257 -5.381 27.732 1.00 0.00 C ATOM 748 CG GLN A 50 6.940 -6.877 27.782 1.00 0.00 C ATOM 749 CD GLN A 50 5.432 -7.085 27.623 1.00 0.00 C ATOM 750 OE1 GLN A 50 4.659 -6.166 27.802 1.00 0.00 O ATOM 751 NE2 GLN A 50 4.980 -8.263 27.293 1.00 0.00 N ATOM 0 H GLN A 50 8.234 -3.107 28.190 1.00 0.00 H new ATOM 0 HA GLN A 50 9.087 -5.846 28.774 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.669 -4.848 28.479 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.982 -4.972 26.760 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.475 -7.400 26.989 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.278 -7.300 28.728 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.630 -9.035 27.143 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.977 -8.412 27.185 1.00 0.00 H new ATOM 760 N LEU A 51 9.307 -4.673 25.679 1.00 0.00 N ATOM 761 CA LEU A 51 10.058 -4.880 24.409 1.00 0.00 C ATOM 762 C LEU A 51 11.557 -4.716 24.668 1.00 0.00 C ATOM 763 O LEU A 51 12.383 -5.167 23.900 1.00 0.00 O ATOM 764 CB LEU A 51 9.603 -3.848 23.374 1.00 0.00 C ATOM 765 CG LEU A 51 10.338 -4.090 22.055 1.00 0.00 C ATOM 766 CD1 LEU A 51 9.395 -3.800 20.885 1.00 0.00 C ATOM 767 CD2 LEU A 51 11.552 -3.163 21.970 1.00 0.00 C ATOM 0 H LEU A 51 8.635 -3.905 25.667 1.00 0.00 H new ATOM 0 HA LEU A 51 9.863 -5.884 24.032 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.526 -3.921 23.221 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.806 -2.840 23.736 1.00 0.00 H new ATOM 0 HG LEU A 51 10.668 -5.128 22.009 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.918 -3.972 19.945 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.529 -4.459 20.944 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.065 -2.762 20.932 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.076 -3.335 21.030 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.221 -2.125 22.016 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.225 -3.367 22.803 1.00 0.00 H new ATOM 779 N ALA A 52 11.916 -4.072 25.745 1.00 0.00 N ATOM 780 CA ALA A 52 13.361 -3.866 26.044 1.00 0.00 C ATOM 781 C ALA A 52 13.967 -5.168 26.572 1.00 0.00 C ATOM 782 O ALA A 52 15.052 -5.558 26.189 1.00 0.00 O ATOM 783 CB ALA A 52 13.511 -2.770 27.102 1.00 0.00 C ATOM 0 H ALA A 52 11.271 -3.680 26.431 1.00 0.00 H new ATOM 0 HA ALA A 52 13.880 -3.568 25.133 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.568 -2.618 27.322 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.081 -1.841 26.727 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.991 -3.069 28.012 1.00 0.00 H new ATOM 789 N ARG A 53 13.277 -5.840 27.452 1.00 0.00 N ATOM 790 CA ARG A 53 13.808 -7.121 27.996 1.00 0.00 C ATOM 791 C ARG A 53 13.989 -8.128 26.857 1.00 0.00 C ATOM 792 O ARG A 53 14.900 -8.931 26.865 1.00 0.00 O ATOM 793 CB ARG A 53 12.825 -7.683 29.023 1.00 0.00 C ATOM 794 CG ARG A 53 12.870 -6.829 30.291 1.00 0.00 C ATOM 795 CD ARG A 53 12.064 -7.511 31.398 1.00 0.00 C ATOM 796 NE ARG A 53 10.611 -7.269 31.174 1.00 0.00 N ATOM 797 CZ ARG A 53 10.135 -6.055 31.239 1.00 0.00 C ATOM 798 NH1 ARG A 53 10.933 -5.054 31.493 1.00 0.00 N ATOM 799 NH2 ARG A 53 8.862 -5.842 31.048 1.00 0.00 N ATOM 0 H ARG A 53 12.368 -5.557 27.818 1.00 0.00 H new ATOM 0 HA ARG A 53 14.771 -6.940 28.474 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.816 -7.689 28.611 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.079 -8.716 29.258 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.902 -6.690 30.612 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.463 -5.838 30.089 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.269 -8.582 31.405 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.363 -7.123 32.372 1.00 0.00 H new ATOM 0 HE ARG A 53 9.989 -8.051 30.970 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.928 -5.220 31.641 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.561 -4.106 31.544 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.238 -6.624 30.848 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.490 -4.893 31.099 1.00 0.00 H new ATOM 813 N TYR A 54 13.129 -8.090 25.877 1.00 0.00 N ATOM 814 CA TYR A 54 13.262 -9.037 24.735 1.00 0.00 C ATOM 815 C TYR A 54 14.546 -8.730 23.962 1.00 0.00 C ATOM 816 O TYR A 54 15.363 -9.598 23.725 1.00 0.00 O ATOM 817 CB TYR A 54 12.059 -8.885 23.802 1.00 0.00 C ATOM 818 CG TYR A 54 11.996 -10.067 22.864 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.694 -11.340 23.361 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.241 -9.889 21.497 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.636 -12.436 22.490 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.183 -10.984 20.627 1.00 0.00 C ATOM 823 CZ TYR A 54 11.881 -12.258 21.124 1.00 0.00 C ATOM 824 OH TYR A 54 11.823 -13.337 20.266 1.00 0.00 O ATOM 0 H TYR A 54 12.341 -7.445 25.818 1.00 0.00 H new ATOM 0 HA TYR A 54 13.302 -10.058 25.115 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.140 -8.820 24.384 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.142 -7.959 23.232 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.506 -11.478 24.416 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.475 -8.907 21.114 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.402 -13.418 22.873 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.371 -10.846 19.572 1.00 0.00 H new ATOM 0 HH TYR A 54 12.017 -13.040 19.353 1.00 0.00 H new ATOM 834 N LEU A 55 14.733 -7.501 23.567 1.00 0.00 N ATOM 835 CA LEU A 55 15.972 -7.136 22.824 1.00 0.00 C ATOM 836 C LEU A 55 17.192 -7.370 23.716 1.00 0.00 C ATOM 837 O LEU A 55 18.270 -7.669 23.243 1.00 0.00 O ATOM 838 CB LEU A 55 15.909 -5.660 22.423 1.00 0.00 C ATOM 839 CG LEU A 55 15.211 -5.529 21.069 1.00 0.00 C ATOM 840 CD1 LEU A 55 13.843 -6.213 21.131 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.023 -4.047 20.735 1.00 0.00 C ATOM 0 H LEU A 55 14.081 -6.733 23.727 1.00 0.00 H new ATOM 0 HA LEU A 55 16.054 -7.754 21.930 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.369 -5.089 23.179 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.915 -5.244 22.367 1.00 0.00 H new ATOM 0 HG LEU A 55 15.820 -6.003 20.299 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.345 -6.120 20.166 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.974 -7.268 21.371 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.234 -5.739 21.901 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.525 -3.952 19.770 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.414 -3.575 21.506 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.996 -3.558 20.691 1.00 0.00 H new ATOM 853 N GLY A 56 17.033 -7.237 25.005 1.00 0.00 N ATOM 854 CA GLY A 56 18.182 -7.468 25.925 1.00 0.00 C ATOM 855 C GLY A 56 19.243 -6.390 25.699 1.00 0.00 C ATOM 856 O GLY A 56 18.933 -5.230 25.513 1.00 0.00 O ATOM 0 H GLY A 56 16.157 -6.979 25.460 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.842 -7.447 26.960 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.609 -8.455 25.750 1.00 0.00 H new ATOM 860 N ASN A 57 20.494 -6.761 25.716 1.00 0.00 N ATOM 861 CA ASN A 57 21.573 -5.756 25.509 1.00 0.00 C ATOM 862 C ASN A 57 22.068 -5.826 24.063 1.00 0.00 C ATOM 863 O ASN A 57 23.233 -5.627 23.786 1.00 0.00 O ATOM 864 CB ASN A 57 22.735 -6.052 26.460 1.00 0.00 C ATOM 865 CG ASN A 57 22.325 -5.703 27.893 1.00 0.00 C ATOM 866 OD1 ASN A 57 21.643 -4.724 28.120 1.00 0.00 O ATOM 867 ND2 ASN A 57 22.715 -6.470 28.874 1.00 0.00 N ATOM 0 H ASN A 57 20.815 -7.718 25.864 1.00 0.00 H new ATOM 0 HA ASN A 57 21.182 -4.759 25.711 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.012 -7.104 26.396 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.612 -5.473 26.170 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.447 -6.248 29.833 1.00 0.00 H new ATOM 0 HD22 ASN A 57 23.288 -7.292 28.682 1.00 0.00 H new ATOM 874 N ALA A 58 21.190 -6.108 23.140 1.00 0.00 N ATOM 875 CA ALA A 58 21.613 -6.200 21.714 1.00 0.00 C ATOM 876 C ALA A 58 21.326 -4.872 21.010 1.00 0.00 C ATOM 877 O ALA A 58 21.904 -4.563 19.987 1.00 0.00 O ATOM 878 CB ALA A 58 20.836 -7.322 21.023 1.00 0.00 C ATOM 0 H ALA A 58 20.199 -6.279 23.311 1.00 0.00 H new ATOM 0 HA ALA A 58 22.681 -6.414 21.665 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.145 -7.390 19.980 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.040 -8.268 21.524 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.768 -7.109 21.072 1.00 0.00 H new ATOM 884 N VAL A 59 20.437 -4.084 21.551 1.00 0.00 N ATOM 885 CA VAL A 59 20.107 -2.782 20.907 1.00 0.00 C ATOM 886 C VAL A 59 19.770 -1.751 21.987 1.00 0.00 C ATOM 887 O VAL A 59 19.310 -2.088 23.060 1.00 0.00 O ATOM 888 CB VAL A 59 18.903 -2.960 19.981 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.711 -1.697 19.140 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.148 -4.155 19.055 1.00 0.00 C ATOM 0 H VAL A 59 19.926 -4.286 22.410 1.00 0.00 H new ATOM 0 HA VAL A 59 20.963 -2.437 20.327 1.00 0.00 H new ATOM 0 HB VAL A 59 18.009 -3.136 20.579 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.853 -1.826 18.481 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.539 -0.845 19.797 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.604 -1.519 18.542 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.291 -4.284 18.394 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.043 -3.976 18.459 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.284 -5.056 19.653 1.00 0.00 H new ATOM 900 N ASP A 60 19.995 -0.495 21.713 1.00 0.00 N ATOM 901 CA ASP A 60 19.686 0.555 22.723 1.00 0.00 C ATOM 902 C ASP A 60 18.407 1.291 22.319 1.00 0.00 C ATOM 903 O ASP A 60 18.332 1.892 21.265 1.00 0.00 O ATOM 904 CB ASP A 60 20.845 1.550 22.796 1.00 0.00 C ATOM 905 CG ASP A 60 20.703 2.409 24.055 1.00 0.00 C ATOM 906 OD1 ASP A 60 19.619 2.432 24.613 1.00 0.00 O ATOM 907 OD2 ASP A 60 21.682 3.028 24.440 1.00 0.00 O ATOM 0 H ASP A 60 20.380 -0.151 20.833 1.00 0.00 H new ATOM 0 HA ASP A 60 19.545 0.090 23.699 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.795 1.017 22.812 1.00 0.00 H new ATOM 0 HB3 ASP A 60 20.850 2.184 21.909 1.00 0.00 H new ATOM 912 N LEU A 61 17.400 1.251 23.147 1.00 0.00 N ATOM 913 CA LEU A 61 16.124 1.942 22.806 1.00 0.00 C ATOM 914 C LEU A 61 15.982 3.202 23.662 1.00 0.00 C ATOM 915 O LEU A 61 14.907 3.752 23.800 1.00 0.00 O ATOM 916 CB LEU A 61 14.947 1.003 23.078 1.00 0.00 C ATOM 917 CG LEU A 61 14.724 0.097 21.867 1.00 0.00 C ATOM 918 CD1 LEU A 61 16.027 -0.625 21.522 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.642 -0.934 22.195 1.00 0.00 C ATOM 0 H LEU A 61 17.405 0.769 24.046 1.00 0.00 H new ATOM 0 HA LEU A 61 16.131 2.219 21.752 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.147 0.400 23.964 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.046 1.582 23.283 1.00 0.00 H new ATOM 0 HG LEU A 61 14.407 0.700 21.016 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.867 -1.271 20.659 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.799 0.109 21.289 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.345 -1.228 22.372 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.482 -1.581 21.332 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.960 -1.536 23.046 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.713 -0.420 22.441 1.00 0.00 H new ATOM 931 N SER A 62 17.058 3.663 24.238 1.00 0.00 N ATOM 932 CA SER A 62 16.982 4.880 25.093 1.00 0.00 C ATOM 933 C SER A 62 16.450 6.053 24.266 1.00 0.00 C ATOM 934 O SER A 62 15.639 6.832 24.726 1.00 0.00 O ATOM 935 CB SER A 62 18.375 5.220 25.623 1.00 0.00 C ATOM 936 OG SER A 62 19.242 5.484 24.527 1.00 0.00 O ATOM 0 H SER A 62 17.986 3.249 24.153 1.00 0.00 H new ATOM 0 HA SER A 62 16.311 4.693 25.931 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.325 6.089 26.280 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.763 4.393 26.217 1.00 0.00 H new ATOM 0 HG SER A 62 20.136 5.704 24.863 1.00 0.00 H new ATOM 942 N CYS A 63 16.902 6.185 23.050 1.00 0.00 N ATOM 943 CA CYS A 63 16.419 7.303 22.192 1.00 0.00 C ATOM 944 C CYS A 63 15.144 6.873 21.464 1.00 0.00 C ATOM 945 O CYS A 63 14.862 7.318 20.368 1.00 0.00 O ATOM 946 CB CYS A 63 17.495 7.663 21.167 1.00 0.00 C ATOM 947 SG CYS A 63 18.979 8.240 22.027 1.00 0.00 S ATOM 0 H CYS A 63 17.585 5.567 22.613 1.00 0.00 H new ATOM 0 HA CYS A 63 16.207 8.172 22.815 1.00 0.00 H new ATOM 0 HB2 CYS A 63 17.732 6.794 20.553 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.127 8.438 20.495 1.00 0.00 H new ATOM 0 HG CYS A 63 19.895 8.544 21.156 1.00 0.00 H new ATOM 953 N PHE A 64 14.370 6.010 22.063 1.00 0.00 N ATOM 954 CA PHE A 64 13.118 5.547 21.401 1.00 0.00 C ATOM 955 C PHE A 64 11.908 6.158 22.113 1.00 0.00 C ATOM 956 O PHE A 64 11.710 5.966 23.295 1.00 0.00 O ATOM 957 CB PHE A 64 13.036 4.020 21.475 1.00 0.00 C ATOM 958 CG PHE A 64 11.800 3.546 20.750 1.00 0.00 C ATOM 959 CD1 PHE A 64 11.674 3.757 19.371 1.00 0.00 C ATOM 960 CD2 PHE A 64 10.780 2.897 21.454 1.00 0.00 C ATOM 961 CE1 PHE A 64 10.527 3.318 18.698 1.00 0.00 C ATOM 962 CE2 PHE A 64 9.634 2.456 20.781 1.00 0.00 C ATOM 963 CZ PHE A 64 9.507 2.667 19.403 1.00 0.00 C ATOM 0 H PHE A 64 14.550 5.606 22.982 1.00 0.00 H new ATOM 0 HA PHE A 64 13.122 5.861 20.357 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.925 3.575 21.028 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.006 3.697 22.516 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.461 4.258 18.827 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.877 2.736 22.518 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.429 3.482 17.635 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.848 1.953 21.325 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.623 2.328 18.884 1.00 0.00 H new ATOM 973 N ASP A 65 11.098 6.892 21.400 1.00 0.00 N ATOM 974 CA ASP A 65 9.893 7.498 22.033 1.00 0.00 C ATOM 975 C ASP A 65 8.802 6.434 22.175 1.00 0.00 C ATOM 976 O ASP A 65 8.890 5.362 21.610 1.00 0.00 O ATOM 977 CB ASP A 65 9.378 8.641 21.156 1.00 0.00 C ATOM 978 CG ASP A 65 10.334 9.832 21.255 1.00 0.00 C ATOM 979 OD1 ASP A 65 11.139 9.845 22.171 1.00 0.00 O ATOM 980 OD2 ASP A 65 10.245 10.710 20.414 1.00 0.00 O ATOM 0 H ASP A 65 11.218 7.098 20.408 1.00 0.00 H new ATOM 0 HA ASP A 65 10.155 7.884 23.018 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.298 8.311 20.120 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.378 8.936 21.475 1.00 0.00 H new ATOM 985 N PHE A 66 7.774 6.722 22.925 1.00 0.00 N ATOM 986 CA PHE A 66 6.682 5.725 23.106 1.00 0.00 C ATOM 987 C PHE A 66 5.511 6.078 22.187 1.00 0.00 C ATOM 988 O PHE A 66 5.074 5.276 21.387 1.00 0.00 O ATOM 989 CB PHE A 66 6.211 5.742 24.562 1.00 0.00 C ATOM 990 CG PHE A 66 7.327 5.262 25.459 1.00 0.00 C ATOM 991 CD1 PHE A 66 8.477 6.042 25.625 1.00 0.00 C ATOM 992 CD2 PHE A 66 7.212 4.035 26.122 1.00 0.00 C ATOM 993 CE1 PHE A 66 9.511 5.596 26.457 1.00 0.00 C ATOM 994 CE2 PHE A 66 8.246 3.588 26.954 1.00 0.00 C ATOM 995 CZ PHE A 66 9.396 4.370 27.120 1.00 0.00 C ATOM 0 H PHE A 66 7.643 7.604 23.420 1.00 0.00 H new ATOM 0 HA PHE A 66 7.053 4.731 22.856 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.910 6.750 24.846 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.336 5.103 24.679 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.567 6.988 25.111 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.325 3.432 25.992 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.398 6.199 26.587 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.157 2.642 27.467 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.195 4.026 27.761 1.00 0.00 H new ATOM 1005 N ARG A 67 5.000 7.273 22.295 1.00 0.00 N ATOM 1006 CA ARG A 67 3.846 7.670 21.441 1.00 0.00 C ATOM 1007 C ARG A 67 4.340 7.976 20.025 1.00 0.00 C ATOM 1008 O ARG A 67 3.698 7.644 19.048 1.00 0.00 O ATOM 1009 CB ARG A 67 3.180 8.917 22.029 1.00 0.00 C ATOM 1010 CG ARG A 67 2.523 8.563 23.365 1.00 0.00 C ATOM 1011 CD ARG A 67 3.527 8.773 24.500 1.00 0.00 C ATOM 1012 NE ARG A 67 3.495 7.599 25.416 1.00 0.00 N ATOM 1013 CZ ARG A 67 2.353 7.146 25.856 1.00 0.00 C ATOM 1014 NH1 ARG A 67 1.239 7.721 25.494 1.00 0.00 N ATOM 1015 NH2 ARG A 67 2.325 6.117 26.659 1.00 0.00 N ATOM 0 H ARG A 67 5.332 7.992 22.938 1.00 0.00 H new ATOM 0 HA ARG A 67 3.124 6.855 21.406 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.920 9.704 22.173 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.433 9.305 21.336 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.642 9.185 23.525 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.184 7.527 23.352 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.530 8.903 24.093 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.286 9.683 25.049 1.00 0.00 H new ATOM 0 HE ARG A 67 4.366 7.149 25.699 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.260 8.525 24.867 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.347 7.366 25.838 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.196 5.667 26.942 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.433 5.763 27.003 1.00 0.00 H new ATOM 1029 N THR A 68 5.476 8.607 19.907 1.00 0.00 N ATOM 1030 CA THR A 68 5.991 8.968 18.556 1.00 0.00 C ATOM 1031 C THR A 68 6.940 7.873 18.064 1.00 0.00 C ATOM 1032 O THR A 68 7.356 7.867 16.922 1.00 0.00 O ATOM 1033 CB THR A 68 6.742 10.298 18.634 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.955 10.114 19.354 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.876 11.335 19.350 1.00 0.00 C ATOM 0 H THR A 68 6.070 8.888 20.687 1.00 0.00 H new ATOM 0 HA THR A 68 5.156 9.064 17.862 1.00 0.00 H new ATOM 0 HB THR A 68 6.965 10.648 17.626 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.454 10.957 19.376 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.413 12.282 19.405 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.946 11.476 18.798 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.650 10.987 20.358 1.00 0.00 H new ATOM 1043 N GLY A 69 7.286 6.948 18.916 1.00 0.00 N ATOM 1044 CA GLY A 69 8.210 5.855 18.497 1.00 0.00 C ATOM 1045 C GLY A 69 9.295 6.427 17.583 1.00 0.00 C ATOM 1046 O GLY A 69 9.875 5.725 16.777 1.00 0.00 O ATOM 0 H GLY A 69 6.969 6.901 19.884 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.664 5.392 19.373 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.655 5.075 17.976 1.00 0.00 H new ATOM 1050 N LYS A 70 9.576 7.696 17.701 1.00 0.00 N ATOM 1051 CA LYS A 70 10.617 8.312 16.832 1.00 0.00 C ATOM 1052 C LYS A 70 11.961 8.309 17.564 1.00 0.00 C ATOM 1053 O LYS A 70 12.031 8.061 18.751 1.00 0.00 O ATOM 1054 CB LYS A 70 10.219 9.753 16.502 1.00 0.00 C ATOM 1055 CG LYS A 70 10.754 10.127 15.118 1.00 0.00 C ATOM 1056 CD LYS A 70 10.186 11.485 14.702 1.00 0.00 C ATOM 1057 CE LYS A 70 8.781 11.297 14.127 1.00 0.00 C ATOM 1058 NZ LYS A 70 8.329 12.569 13.495 1.00 0.00 N ATOM 0 H LYS A 70 9.130 8.332 18.362 1.00 0.00 H new ATOM 0 HA LYS A 70 10.705 7.739 15.909 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.134 9.856 16.524 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.619 10.433 17.254 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.843 10.166 15.136 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.474 9.365 14.390 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.152 12.155 15.561 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.835 11.950 13.960 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.782 10.493 13.391 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.089 11.005 14.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.374 12.442 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.313 13.325 14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.984 12.829 12.730 1.00 0.00 H new ATOM 1072 N MET A 71 13.029 8.582 16.865 1.00 0.00 N ATOM 1073 CA MET A 71 14.366 8.601 17.523 1.00 0.00 C ATOM 1074 C MET A 71 14.525 9.898 18.318 1.00 0.00 C ATOM 1075 O MET A 71 14.088 10.951 17.900 1.00 0.00 O ATOM 1076 CB MET A 71 15.460 8.519 16.456 1.00 0.00 C ATOM 1077 CG MET A 71 15.788 7.052 16.171 1.00 0.00 C ATOM 1078 SD MET A 71 17.082 6.492 17.307 1.00 0.00 S ATOM 1079 CE MET A 71 16.893 4.717 17.007 1.00 0.00 C ATOM 0 H MET A 71 13.033 8.793 15.867 1.00 0.00 H new ATOM 0 HA MET A 71 14.451 7.749 18.198 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.129 9.013 15.542 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.354 9.043 16.795 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.895 6.439 16.289 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.120 6.936 15.139 1.00 0.00 H new ATOM 0 HE1 MET A 71 16.448 4.245 17.883 1.00 0.00 H new ATOM 0 HE2 MET A 71 16.247 4.561 16.143 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.870 4.275 16.814 1.00 0.00 H new